| 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 | 33.7 | Very low | 36.2 | Very low | 224 Ų | 224 | 156.5 Ų | 156.5 | 100% | 1.103 | 85% | 0.846 | S | S | * | * | 0 | 59.5 | 0 | -63.1 | -85.2 | 174.8 | 0 | 0 | 106.3 | |||||
| 2 | D | 35.9 | Very low | 36 | Very low | 150 Ų | 150 | 151.6 Ų | 151.6 | 80% | 0.802 | 84% | 0.843 | S | S | * | * | 82.1 | 116.7 | 81.4 | -73.4 | -52.3 | 0 | 0 | 0 | 111.2 | |||||
| 3 | G | 36.5 | Very low | 37.1 | Very low | 78 Ų | 78 | 149.4 Ų | 149.4 | 80% | 0.804 | 84% | 0.839 | S | S | * | * | trans | -165.3 | 55 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 4 | S | 37.3 | Very low | 36.9 | Very low | 95 Ų | 95 | 151.6 Ų | 151.6 | 66% | 0.664 | 84% | 0.839 | S | S | * | * | trans | -68.6 | 131.9 | 173.1 | -49.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 5 | Y | 37.7 | Very low | 36.9 | Very low | 223 Ų | 223 | 152.7 Ų | 152.7 | 88% | 0.875 | 84% | 0.842 | S | S | * | * | trans | -144.6 | 107.4 | 152.9 | -91.7 | -76.2 | 0 | 0 | 0 | 112.1 | ||||
| 6 | Q | 38.5 | Very low | 36.6 | Very low | 180 Ų | 180 | 153.8 Ų | 153.8 | 84% | 0.841 | 84% | 0.838 | S | S | * | * | trans | -2.5 | 131.5 | 151.8 | -71.3 | 168.2 | -27.1 | 0 | 0 | 119.9 | ||||
| 7 | R | 35.3 | Very low | 36.5 | Very low | 252 Ų | 252 | 155.4 Ų | 155.4 | 95% | 0.951 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 119.9 | 159.8 | 177.5 | -176.5 | -86.8 | -147.8 | -3.6 | 108.9 | ||
| 8 | G | 39.4 | Very low | 36.4 | Very low | 75 Ų | 75 | 152.7 Ų | 152.7 | 77% | 0.773 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 144.5 | 172 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 9 | Q | 35.7 | Very low | 36.2 | Very low | 198 Ų | 198 | 155.4 Ų | 155.4 | 93% | 0.925 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -101 | 171.5 | 173.6 | -108.7 | -175.9 | -11.4 | 0 | 0 | 111 | ||
| 10 | A | 34 | Very low | 35.9 | Very low | 86 Ų | 86 | 156.5 Ų | 156.5 | 71% | 0.711 | 83% | 0.831 | S | S | * | * | trans | 89.6 | 140.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 11 | D | 33.9 | Very low | 35.7 | Very low | 161 Ų | 161 | 152.7 Ų | 152.7 | 86% | 0.861 | 83% | 0.829 | S | S | * | * | cis | -167.5 | 149.6 | -1 | -104.4 | -27.4 | 0 | 0 | 0 | 106.1 | ||||
| 12 | A | 33.6 | Very low | 35.6 | Very low | 97 Ų | 97 | 145.7 Ų | 145.7 | 80% | 0.802 | 82% | 0.815 | S | S | * | * | trans | -160.1 | 148.9 | 156.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 13 | P | 50.3 | Low | 35.6 | Very low | 123 Ų | 123 | 146.5 Ų | 146.5 | 80% | 0.799 | 82% | 0.818 | S | S | * | * | trans | -105.6 | 159.5 | -141.1 | 37.6 | -32.3 | 0 | 0 | 0 | 116.1 | ||||
| 14 | H | 34.9 | Very low | 35.4 | Very low | 181 Ų | 181 | 151.3 Ų | 151.3 | 84% | 0.838 | 82% | 0.819 | S | S | * | * | trans | -62.5 | 131.2 | 164.7 | -90 | -57.5 | 0 | 0 | 0 | 112.7 | ||||
| 15 | L | 37 | Very low | 35.4 | Very low | 168 Ų | 168 | 156 Ų | 156 | 88% | 0.88 | 83% | 0.83 | S | S | * | * | trans | -130.7 | 119 | 155.8 | -91.3 | 165.3 | 0 | 0 | 0 | 109.4 | ||||
| 16 | H | 32.5 | Very low | 35.4 | Very low | 169 Ų | 169 | 151.1 Ų | 151.1 | 78% | 0.782 | 83% | 0.826 | S | S | * | * | trans | -68.2 | 134.5 | 167.1 | -85.2 | -102 | 0 | 0 | 0 | 109.9 | ||||
| 17 | H | 34.7 | Very low | 35.1 | Very low | 181 Ų | 181 | 147.1 Ų | 147.1 | 84% | 0.838 | 82% | 0.824 | S | S | * | * | trans | -136.8 | 118.8 | 150.6 | -138.1 | -56.1 | 0 | 0 | 0 | 110.6 | ||||
| 18 | V | 33.7 | Very low | 35.4 | Very low | 108 Ų | 108 | 140.9 Ų | 140.9 | 66% | 0.655 | 82% | 0.819 | S | S | * | * | trans | -69.9 | 135.6 | 168.5 | 172.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 19 | F | 32.4 | Very low | 35 | Very low | 204 Ų | 204 | 146.2 Ų | 146.2 | 90% | 0.895 | 82% | 0.824 | S | S | * | * | trans | -149.1 | 111.7 | 148.4 | -132 | -91.8 | 0 | 0 | 0 | 109.9 | ||||
| 20 | E | 31.1 | Very low | 35.5 | Very low | 176 Ų | 176 | 145.3 Ų | 145.3 | 82% | 0.822 | 82% | 0.819 | S | S | * | * | trans | -65.9 | 144.9 | 163.6 | -72.3 | 174 | 128.6 | 0 | 0 | 110 | ||||
| 21 | G | 31.6 | Very low | 35.7 | Very low | 77 Ų | 77 | 146.6 Ų | 146.6 | 79% | 0.794 | 82% | 0.821 | S | S | * | * | trans | 170.8 | 71.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 22 | G | 31.9 | Very low | 35.8 | Very low | 78 Ų | 78 | 146 Ų | 146 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | trans | -72.2 | 133.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 23 | I | 35.5 | Very low | 36.1 | Very low | 167 Ų | 167 | 150.5 Ų | 150.5 | 86% | 0.856 | 82% | 0.822 | S | S | * | * | trans | -136.3 | 131.9 | 151.6 | -64.6 | -170.1 | 0 | 0 | 0 | 107.9 | ||||
| 24 | Q | 32.3 | Very low | 35.6 | Very low | 179 Ų | 179 | 150.7 Ų | 150.7 | 84% | 0.836 | 82% | 0.821 | S | S | * | * | trans | -55.6 | 137.6 | -175.7 | -76.3 | 145.2 | -14.1 | 0 | 0 | 114.2 | ||||
| 25 | Q | 37 | Very low | 35.8 | Very low | 193 Ų | 193 | 146.4 Ų | 146.4 | 90% | 0.902 | 82% | 0.817 | S | S | * | * | trans | -75.2 | 138.2 | 152.9 | -71 | -178.7 | -21.6 | 0 | 0 | 109.6 | ||||
| 26 | P | 39.2 | Very low | 36.4 | Very low | 120 Ų | 120 | 143.4 Ų | 143.4 | 78% | 0.779 | 81% | 0.807 | S | S | * | * | trans | -105.5 | 127.3 | 148.6 | 30.1 | -20.5 | 0 | 0 | 0 | 111.2 | ||||
| 27 | A | 30.3 | Very low | 36.8 | Very low | 96 Ų | 96 | 141.1 Ų | 141.1 | 79% | 0.793 | 81% | 0.807 | S | S | * | * | trans | 27.4 | 125.1 | 143.9 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 28 | S | 42 | Very low | 36.8 | Very low | 122 Ų | 122 | 144.3 Ų | 144.3 | 85% | 0.853 | 81% | 0.812 | S | S | * | * | trans | -51.7 | 126 | 158.9 | -54.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 29 | E | 32.6 | Very low | 37.4 | Very low | 186 Ų | 186 | 146 Ų | 146 | 87% | 0.869 | 82% | 0.816 | S | S | * | * | trans | -122.1 | 116.8 | 152 | -75.3 | -171.6 | 161.9 | 0 | 0 | 108.5 | ||||
| 30 | Q | 44.1 | Very low | 38 | Very low | 179 Ų | 179 | 141.2 Ų | 141.2 | 84% | 0.836 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 134.5 | 168.3 | -72.5 | -174.3 | -48.2 | 0 | 0 | 109.7 | ||
| 31 | P | 39.3 | Very low | 38.5 | Very low | 114 Ų | 114 | 139 Ų | 139 | 74% | 0.74 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -92.5 | 120.7 | 156.7 | 22.1 | -9 | 0 | 0 | 0 | 110.2 | H33 | P31-H33 PolarHBondContact O-N 3.37Š|
| 32 | N | 36.8 | Very low | 38.6 | Very low | 149 Ų | 149 | 141.3 Ų | 141.3 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 129 | 168.9 | -79.7 | -63.7 | 0 | 0 | 0 | 111.3 | T34 | N32-T34 PolarHBondContact O-N 2.99Š|
| 33 | H | 39.8 | Very low | 38.9 | Very low | 191 Ų | 191 | 141.3 Ų | 141.3 | 88% | 0.884 | 80% | 0.798 | S | S | * | * | trans | -76.5 | 103.5 | 165 | -70.4 | -80.2 | 0 | 0 | 0 | 109.8 | P31 | P31-H33 PolarHBondContact O-N 3.37Š| ||
| 34 | T | 39.4 | Very low | 38.9 | Very low | 127 Ų | 127 | 140.9 Ų | 140.9 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | trans | -138.3 | 101.2 | 156.6 | -55 | 0 | 0 | 0 | 0 | 108.5 | N32 | N32-T34 PolarHBondContact O-N 2.99Š| ||
| 35 | A | 38.5 | Very low | 39.2 | Very low | 91 Ų | 91 | 141.2 Ų | 141.2 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 135 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 36 | P | 48.9 | Very low | 39.4 | Very low | 104 Ų | 104 | 137.8 Ų | 137.8 | 68% | 0.675 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 148.1 | 170.2 | 28.8 | -30.8 | 0 | 0 | 0 | 110.9 | W38 | P36-W38 PolarHBondContact O-N 3.24Š|
| 37 | P | 42.8 | Very low | 39.7 | Very low | 122 Ų | 122 | 136.4 Ų | 136.4 | 79% | 0.792 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 128.2 | 179.2 | 26.7 | -32.1 | 0 | 0 | 0 | 111.3 | ||
| 38 | W | 34.8 | Very low | 40.4 | Very low | 248 Ų | 248 | 137.3 Ų | 137.3 | 94% | 0.939 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 125.8 | 171.7 | -90.4 | 75.3 | 0 | 0 | 0 | 110.6 | P36 | P36-W38 PolarHBondContact O-N 3.24Š|
| 39 | I | 45 | Very low | 40.5 | Very low | 143 Ų | 143 | 137.6 Ų | 137.6 | 73% | 0.733 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -100.6 | 129.4 | 168.9 | -58.2 | 171.7 | 0 | 0 | 0 | 107.3 | ||
| 40 | P | 45.2 | Very low | 40.8 | Very low | 104 Ų | 104 | 135 Ų | 135 | 68% | 0.675 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -71 | 144.4 | 177 | 28.4 | -32.8 | 0 | 0 | 0 | 111.3 | T42 | P40-T42 PolarHBondContact O-N 3.41Š|
| 41 | P | 41.2 | Very low | 40.2 | Very low | 129 Ų | 129 | 130.3 Ų | 130.3 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | trans | -71.1 | 115.8 | 177.9 | 26.9 | -30.7 | 0 | 0 | 0 | 110.7 | A43 | P41-A43 PolarHBondContact O-N 2.99Š| ||
| 42 | T | 35.1 | Very low | 39.9 | Very low | 125 Ų | 125 | 128.7 Ų | 128.7 | 77% | 0.767 | 79% | 0.792 | S | S | * | * | trans | -65.9 | 125.2 | 169.3 | -20.6 | 0 | 0 | 0 | 0 | 109.4 | P40 N44 | P40-T42 PolarHBondContact O-N 3.41Å; T42-N44 PolarHBondContact O-N 3.39Å | ||
| 43 | A | 37.9 | Very low | 40.1 | Very low | 79 Ų | 79 | 127 Ų | 127 | 65% | 0.653 | 80% | 0.799 | S | S | * | * | trans | -63.1 | 104.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | P41 F45 | P41-A43 PolarHBondContact O-N 2.99Å; A43-F45 HydrophobicContact CB-CD2 4.23Å; A43-F45 HydrophobicContact CB-CE2 4.27Å | ||
| 44 | N | 34 | Very low | 39.7 | Very low | 157 Ų | 157 | 121.4 Ų | 121.4 | 84% | 0.84 | 79% | 0.793 | S | S | * | * | trans | -92.7 | 91.1 | 164.6 | -87.2 | -20.1 | 0 | 0 | 0 | 108.8 | T42 | T42-N44 PolarHBondContact O-N 3.39Š| ||
| 45 | F | 38.6 | Very low | 39.8 | Very low | 187 Ų | 187 | 126.2 Ų | 126.2 | 82% | 0.82 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 128.3 | 160.7 | -78.4 | -84.1 | 0 | 0 | 0 | 108.8 | A43 | A43-F45 HydrophobicContact CB-CD2 4.23Å; A43-F45 HydrophobicContact CB-CE2 4.27Å |
| 46 | P | 42 | Very low | 39.5 | Very low | 121 Ų | 121 | 125.1 Ų | 125.1 | 79% | 0.786 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 135.6 | 167.9 | 28.9 | -29.5 | 0 | 0 | 0 | 109.6 | ||
| 47 | A | 44.6 | Very low | 38.9 | Very low | 90 Ų | 90 | 126.7 Ų | 126.7 | 74% | 0.744 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 148.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 48 | P | 45 | Very low | 38.5 | Very low | 116 Ų | 116 | 126.8 Ų | 126.8 | 75% | 0.753 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 145.7 | 176.8 | 31.5 | -32.7 | 0 | 0 | 0 | 110.6 | ||
| 49 | P | 43.9 | Very low | 38.5 | Very low | 128 Ų | 128 | 123.9 Ų | 123.9 | 83% | 0.831 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -74 | 134.7 | 172 | 29.6 | -30.4 | 0 | 0 | 0 | 110.4 | ||
| 50 | S | 40.1 | Very low | 37.9 | Very low | 130 Ų | 130 | 123 Ų | 123 | 91% | 0.909 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 133.8 | 166.4 | -68.4 | 0 | 0 | 0 | 0 | 111.4 | ||
| 51 | G | 32.3 | Very low | 37.6 | Very low | 81 Ų | 81 | 124 Ų | 124 | 84% | 0.835 | 82% | 0.821 | S | S | * | * | trans | 117.2 | 134.1 | 146.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 52 | G | 31.2 | Very low | 37.5 | Very low | 80 Ų | 80 | 126 Ų | 126 | 83% | 0.825 | 82% | 0.823 | S | S | * | * | trans | 118.1 | 100.8 | 148.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 53 | A | 41.1 | Very low | 38 | Very low | 114 Ų | 114 | 125.4 Ų | 125.4 | 94% | 0.942 | 82% | 0.822 | S | S | * | * | trans | -55.7 | 146.1 | 164.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 54 | G | 32.3 | Very low | 38.4 | Very low | 74 Ų | 74 | 132.7 Ų | 132.7 | 76% | 0.763 | 83% | 0.834 | S | S | * | * | trans | 175.9 | 92.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | G56 | G54-G56 PolarHBondContact O-N 3.03Š| ||
| 55 | F | 40.9 | Very low | 38.7 | Very low | 228 Ų | 228 | 128.9 Ų | 128.9 | 100% | 1 | 83% | 0.832 | S | S | * | * | trans | -62.1 | 123.6 | 163.7 | -87.1 | -94.9 | 0 | 0 | 0 | 109.1 | ||||
| 56 | G | 32.6 | Very low | 39.2 | Very low | 67 Ų | 67 | 129 Ų | 129 | 69% | 0.691 | 83% | 0.833 | S | S | * | * | trans | -159.4 | 94.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | G54 | G54-G56 PolarHBondContact O-N 3.03Š| ||
| 57 | T | 35.9 | Very low | 40.1 | Very low | 137 Ų | 137 | 127.3 Ų | 127.3 | 84% | 0.84 | 82% | 0.817 | S | S | * | * | trans | -66.9 | 122.6 | 170.6 | 47.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 58 | S | 35.1 | Very low | 40.6 | Very low | 125 Ų | 125 | 128.7 Ų | 128.7 | 87% | 0.874 | 82% | 0.818 | S | S | * | * | trans | -116 | 125.3 | 169.2 | -64.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 59 | Q | 33.9 | Very low | 41.4 | Very low | 186 Ų | 186 | 127.6 Ų | 127.6 | 87% | 0.869 | 81% | 0.814 | S | S | * | * | trans | -80.2 | 140.1 | -174.8 | -61.2 | 167.9 | 11 | 0 | 0 | 110.8 | ||||
| 60 | C | 32 | Very low | 42.3 | Very low | 125 Ų | 125 | 126.1 Ų | 126.1 | 85% | 0.845 | 80% | 0.802 | S | S | * | * | trans | -128.1 | 144 | 147.6 | -95 | 0 | 0 | 0 | 0 | 108 | ||||
| 61 | P | 40.3 | Very low | 43.4 | Very low | 126 Ų | 126 | 124.9 Ų | 124.9 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -87.4 | 132.5 | -154.6 | 33.1 | -32.2 | 0 | 0 | 0 | 112.6 | ||||
| 62 | L | 39 | Very low | 44.5 | Very low | 169 Ų | 169 | 126.1 Ų | 126.1 | 89% | 0.885 | 78% | 0.784 | S | S | * | * | trans | -94.1 | 134.5 | 162.7 | -83.4 | 160.2 | 0 | 0 | 0 | 109 | Y64 | L62-Y64 PolarHBondContact O-N 3.27Š| ||
| 63 | P | 46.2 | Very low | 45.6 | Very low | 114 Ų | 114 | 127.2 Ų | 127.2 | 74% | 0.74 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -85.5 | 99 | 179.8 | 33.2 | -27.5 | 0 | 0 | 0 | 108.4 | ||
| 64 | Y | 46.1 | Very low | 45.6 | Very low | 231 Ų | 231 | 129.3 Ų | 129.3 | 91% | 0.906 | 77% | 0.772 | S | S | * | * | trans | 171.9 | 99.8 | 146.6 | -113.9 | -95.7 | 0 | 0 | 0 | 106.9 | L62 F66 | L62-Y64 PolarHBondContact O-N 3.27Å; Y64-F66 PolarHBondContact O-N 2.97Å | ||
| 65 | G | 39.4 | Very low | 45.9 | Very low | 78 Ų | 78 | 134.8 Ų | 134.8 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | -76.4 | 120.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 66 | F | 49.7 | Very low | 45.8 | Very low | 189 Ų | 189 | 129.9 Ų | 129.9 | 83% | 0.829 | 76% | 0.764 | S | S | * | * | trans | -80.4 | 114.7 | 168.1 | -175.2 | -97.7 | 0 | 0 | 0 | 108.4 | Y64 P68 | Y64-F66 PolarHBondContact O-N 2.97Å; F66-P68 WeakPolarHBondContact O-CD 3.44Å | ||
| 67 | D | 61.1 | Low | 46.1 | Very low | 85 Ų | 85 | 132 Ų | 132 | 46% | 0.455 | 77% | 0.767 | S | S | . | * | trans | -89 | 113.4 | 177.1 | -176.7 | -8.6 | 0 | 0 | 0 | 109.9 | S69 V70 | D67-S69 VanDerWaalsContact CG-OG 3.24Å; D67-S69 PolarHBondContact O-N 2.92Å; D67-S69 VanDerWaalsContact O-N 3.15Å; D67-S69 WeakPolarHBondContact OD1-CB 3.35Å; D67-S69 PolarHBondContact OD1-N 3.42Å; D67-S69 PolarHBondContact OD1-OG 3.49Å; D67-S69 PolarHBondContact OD2-OG 3.48Å; D67-V70 HydrophobicContact CB-CG2 4.21Å; D67-V70 PolarHBondContact O-N 2.93Å | ||
| 68 | P | 55.2 | Low | 46.6 | Very low | 119 Ų | 119 | 130.9 Ų | 130.9 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | 0.2 | -179.1 | 30.6 | -34.6 | 0 | 0 | 0 | 114.1 | F66 | F66-P68 WeakPolarHBondContact O-CD 3.44Š|
| 69 | S | 60.2 | Low | 47 | Very low | 94 Ų | 94 | 130.5 Ų | 130.5 | 66% | 0.657 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.6 | -0.1 | 176.8 | 63.9 | 0 | 0 | 0 | 0 | 114.6 | D67 | D67-S69 VanDerWaalsContact CG-OG 3.24Å; D67-S69 PolarHBondContact O-N 2.92Å; D67-S69 VanDerWaalsContact O-N 3.15Å; D67-S69 WeakPolarHBondContact OD1-CB 3.35Å; D67-S69 PolarHBondContact OD1-N 3.42Å; D67-S69 PolarHBondContact OD1-OG 3.49Å; D67-S69 PolarHBondContact OD2-OG 3.48Å |
| 70 | V | 63.9 | Low | 47.5 | Very low | 97 Ų | 97 | 128.3 Ų | 128.3 | 59% | 0.588 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -99.5 | 113.3 | 174 | -172.4 | 0 | 0 | 0 | 0 | 109.8 | D67 | D67-V70 HydrophobicContact CB-CG2 4.21Å; D67-V70 PolarHBondContact O-N 2.93Å |
| 71 | P | 62.7 | Low | 47.7 | Very low | 104 Ų | 104 | 125.2 Ų | 125.2 | 68% | 0.675 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 143 | 174.9 | 27.3 | -32.6 | 0 | 0 | 0 | 110.2 | ||
| 72 | P | 56.2 | Low | 47.5 | Very low | 106 Ų | 106 | 128.3 Ų | 128.3 | 69% | 0.688 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 147.7 | 179.6 | 26.2 | -33.6 | 0 | 0 | 0 | 110.9 | ||
| 73 | P | 53.2 | Low | 47.5 | Very low | 104 Ų | 104 | 130.3 Ų | 130.3 | 68% | 0.675 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 139.8 | 178.6 | 25.1 | -31.9 | 0 | 0 | 0 | 111.1 | F75 | P73-F75 PolarHBondContact O-N 3.4Å; P73-F75 VanDerWaalsContact O-N 3.13Å |
| 74 | N | 41.4 | Very low | 47.3 | Very low | 157 Ų | 157 | 131.2 Ų | 131.2 | 84% | 0.84 | 76% | 0.758 | S | S | * | * | trans | -62.3 | 110.7 | 178.6 | -78 | -28.7 | 0 | 0 | 0 | 110.9 | V76 | N74-V76 VanDerWaalsContact C-N 3.34Å; N74-V76 HydrophobicContact CB-CG2 4.49Å; N74-V76 PolarHBondContact O-N 2.93Å | ||
| 75 | F | 39.1 | Very low | 46.7 | Very low | 190 Ų | 190 | 123.6 Ų | 123.6 | 83% | 0.833 | 75% | 0.751 | S | S | * | * | trans | -76.5 | 86.9 | 165.7 | -71.3 | -82.1 | 0 | 0 | 0 | 109.5 | P73 | P73-F75 PolarHBondContact O-N 3.4Å; P73-F75 VanDerWaalsContact O-N 3.13Å | ||
| 76 | V | 37.9 | Very low | 46.5 | Very low | 124 Ų | 124 | 129 Ų | 129 | 75% | 0.752 | 76% | 0.757 | S | S | * | * | trans | -89 | 104.3 | 161.8 | -178.6 | 0 | 0 | 0 | 0 | 107 | N74 P78 | N74-V76 VanDerWaalsContact C-N 3.34Å; N74-V76 HydrophobicContact CB-CG2 4.49Å; N74-V76 PolarHBondContact O-N 2.93Å; V76-P78 WeakPolarHBondContact O-CD 3.31Å | ||
| 77 | C | 40.2 | Very low | 45.8 | Very low | 113 Ų | 113 | 124.9 Ų | 124.9 | 76% | 0.764 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -68 | 124.5 | 167 | -62.8 | 0 | 0 | 0 | 0 | 109.4 | ||
| 78 | P | 46.5 | Very low | 45 | Very low | 112 Ų | 112 | 126.5 Ų | 126.5 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 151.2 | 163.5 | 31.3 | -25.7 | 0 | 0 | 0 | 110.5 | V76 | V76-P78 WeakPolarHBondContact O-CD 3.31Š|
| 79 | P | 43.2 | Very low | 44.6 | Very low | 118 Ų | 118 | 126.4 Ų | 126.4 | 77% | 0.766 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 162.1 | 178.3 | 31.7 | -33.4 | 0 | 0 | 0 | 111.9 | ||
| 80 | P | 44.3 | Very low | 43.4 | Very low | 139 Ų | 139 | 126.4 Ų | 126.4 | 90% | 0.903 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 128.3 | -166.6 | 32.5 | -31.8 | 0 | 0 | 0 | 111.3 | ||
| 81 | G | 36.2 | Very low | 42.6 | Very low | 60 Ų | 60 | 127.9 Ų | 127.9 | 62% | 0.619 | 79% | 0.79 | S | S | * | * | trans | -173.6 | 113.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 82 | H | 35.3 | Very low | 41 | Very low | 191 Ų | 191 | 126.3 Ų | 126.3 | 88% | 0.884 | 79% | 0.792 | S | S | * | * | trans | 73.5 | 107.2 | 155.2 | -59.3 | -67.1 | 0 | 0 | 0 | 119.8 | ||||
| 83 | F | 40.2 | Very low | 39.7 | Very low | 212 Ų | 212 | 128.3 Ų | 128.3 | 93% | 0.93 | 80% | 0.797 | S | S | * | * | trans | -66.1 | 135.9 | 155.4 | -71.7 | -91.8 | 0 | 0 | 0 | 110.8 | ||||
| 84 | P | 41.7 | Very low | 38.6 | Very low | 132 Ų | 132 | 128.5 Ų | 128.5 | 86% | 0.857 | 80% | 0.796 | S | S | * | * | trans | -114.1 | 111.2 | 160.5 | 32.4 | -18.4 | 0 | 0 | 0 | 110.1 | ||||
| 85 | G | 33.6 | Very low | 38.1 | Very low | 72 Ų | 72 | 128 Ų | 128 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | trans | -159.8 | 38.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 86 | M | 34.1 | Very low | 37.6 | Very low | 192 Ų | 192 | 129.9 Ų | 129.9 | 95% | 0.946 | 80% | 0.795 | S | S | * | * | trans | -154.4 | 127.1 | 160 | -88.4 | -146 | 142.6 | 0 | 0 | 110.1 | ||||
| 87 | A | 36.1 | Very low | 37.4 | Very low | 101 Ų | 101 | 129.3 Ų | 129.3 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | trans | -136.7 | 126.6 | 162.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 88 | P | 43.6 | Very low | 37.6 | Very low | 119 Ų | 119 | 129.8 Ų | 129.8 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | trans | -109 | -172.5 | 156.1 | 42.2 | -31 | 0 | 0 | 0 | 109.6 | ||||
| 89 | P | 46.7 | Very low | 36.7 | Very low | 117 Ų | 117 | 129.2 Ų | 129.2 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | -110.8 | 167.5 | -92.8 | 29.8 | -11 | 0 | 0 | 0 | 114.4 | |||||
| 90 | A | 35.1 | Very low | 36.2 | Very low | 94 Ų | 94 | 129.3 Ų | 129.3 | 78% | 0.777 | 80% | 0.8 | S | S | * | * | trans | 25.1 | 150.6 | 148.8 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 91 | P | 47.8 | Very low | 36.3 | Very low | 129 Ų | 129 | 128.5 Ų | 128.5 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | cis | -153.9 | 175.4 | 42.8 | 39.2 | -16.4 | 0 | 0 | 0 | 118.3 | ||||
| 92 | G | 28 | Very low | 36 | Very low | 70 Ų | 70 | 130.4 Ų | 130.4 | 72% | 0.722 | 80% | 0.795 | S | S | * | * | trans | 106.5 | 104.8 | 131.4 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 93 | N | 29.6 | Very low | 35.7 | Very low | 148 Ų | 148 | 131.4 Ų | 131.4 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | trans | 85 | 114.9 | 135.8 | -88.8 | 2.3 | 0 | 0 | 0 | 123.2 | ||||
| 94 | T | 29.6 | Very low | 35.4 | Very low | 109 Ų | 109 | 129.6 Ų | 129.6 | 67% | 0.669 | 79% | 0.792 | S | S | * | * | 72.6 | 114.9 | 125.6 | 58.6 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 95 | L | 31.9 | Very low | 34.9 | Very low | 147 Ų | 147 | 128.2 Ų | 128.2 | 77% | 0.77 | 79% | 0.791 | S | S | * | * | 142.6 | 126.5 | 114.5 | -87.3 | 143.4 | 0 | 0 | 0 | 114.6 | |||||
| 96 | R | 27.9 | Very low | 34.8 | Very low | 229 Ų | 229 | 128.1 Ų | 128.1 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | trans | 60.4 | 113.4 | 139.3 | -87.8 | 179.3 | 171.6 | -165.9 | -3.1 | 120.7 | ||||
| 97 | S | 32.9 | Very low | 34.6 | Very low | 111 Ų | 111 | 127.8 Ų | 127.8 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | trans | -58.9 | 158.9 | 141.1 | -43.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 98 | P | 45 | Very low | 34.6 | Very low | 123 Ų | 123 | 129.6 Ų | 129.6 | 80% | 0.799 | 77% | 0.769 | S | S | * | * | -147.6 | 171.9 | 83.4 | 37.1 | -18.5 | 0 | 0 | 0 | 116.2 | |||||
| 99 | A | 27.9 | Very low | 34.3 | Very low | 101 Ų | 101 | 131.7 Ų | 131.7 | 84% | 0.835 | 77% | 0.768 | S | S | * | * | trans | 94.3 | 108.7 | 150.2 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 100 | V | 33.5 | Very low | 33.5 | Very low | 119 Ų | 119 | 134.4 Ų | 134.4 | 72% | 0.721 | 78% | 0.775 | S | S | * | * | trans | -81.7 | 166 | 152.8 | -154.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 101 | P | 45.2 | Very low | 33.3 | Very low | 122 Ų | 122 | 133.5 Ų | 133.5 | 79% | 0.792 | 78% | 0.775 | S | S | * | * | -141.2 | 133 | 83.3 | 28.7 | -8.4 | 0 | 0 | 0 | 113.2 | |||||
| 102 | T | 30.8 | Very low | 32.4 | Very low | 101 Ų | 101 | 132.6 Ų | 132.6 | 62% | 0.62 | 78% | 0.779 | S | S | * | * | 65 | 111.6 | 85 | -52.1 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 103 | F | 29 | Very low | 32.7 | Very low | 212 Ų | 212 | 133.8 Ų | 133.8 | 93% | 0.93 | 78% | 0.782 | S | S | * | * | trans | -135.1 | 113 | 139.8 | -118.4 | -90.2 | 0 | 0 | 0 | 108.7 | ||||
| 104 | Q | 33.6 | Very low | 33.9 | Very low | 173 Ų | 173 | 132.1 Ų | 132.1 | 81% | 0.808 | 78% | 0.779 | S | S | * | * | trans | -121.6 | 123.1 | 170.6 | -160.4 | 179.2 | 40.4 | 0 | 0 | 105.3 | ||||
| 105 | A | 30.3 | Very low | 33.9 | Very low | 103 Ų | 103 | 137.1 Ų | 137.1 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | trans | -94.3 | 122.6 | 166.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 106 | A | 31.8 | Very low | 34.2 | Very low | 71 Ų | 71 | 141.4 Ų | 141.4 | 59% | 0.587 | 80% | 0.798 | S | S | * | * | trans | -103.9 | 157.2 | 177 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 107 | F | 30.2 | Very low | 34.4 | Very low | 184 Ų | 184 | 135.5 Ų | 135.5 | 81% | 0.807 | 80% | 0.798 | S | S | * | * | -168.8 | 106 | 128.9 | -95.4 | -77.7 | 0 | 0 | 0 | 105.7 | |||||
| 108 | Q | 36.9 | Very low | 34.7 | Very low | 140 Ų | 140 | 137.7 Ų | 137.7 | 65% | 0.654 | 80% | 0.801 | S | S | * | * | 74.9 | 144 | 81.1 | -77.5 | -174.3 | 44.5 | 0 | 0 | 113.6 | |||||
| 109 | Q | 36.2 | Very low | 33.9 | Very low | 163 Ų | 163 | 138.3 Ų | 138.3 | 76% | 0.762 | 81% | 0.807 | S | S | * | * | cis | -180 | 152.6 | -15.4 | -116.6 | -171.8 | 41.4 | 0 | 0 | 107.1 | ||||
| 110 | L | 31.3 | Very low | 34.1 | Very low | 173 Ų | 173 | 137 Ų | 137 | 91% | 0.906 | 80% | 0.803 | S | S | * | * | trans | 170.6 | 100.9 | 141.1 | -93.4 | 154.9 | 0 | 0 | 0 | 105.8 | ||||
| 111 | G | 29.5 | Very low | 34.2 | Very low | 76 Ų | 76 | 139.8 Ų | 139.8 | 78% | 0.784 | 81% | 0.813 | S | S | * | * | 81 | 119.6 | 80.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 112 | A | 29.7 | Very low | 33.8 | Very low | 110 Ų | 110 | 145.3 Ų | 145.3 | 91% | 0.909 | 82% | 0.818 | S | S | * | * | cis | -159 | 171.2 | 31.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 113 | A | 35.1 | Very low | 33.9 | Very low | 95 Ų | 95 | 148.1 Ų | 148.1 | 79% | 0.785 | 82% | 0.824 | S | S | * | * | trans | -94.4 | -156.6 | -167.7 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 114 | P | 52.7 | Low | 34 | Very low | 113 Ų | 113 | 148 Ų | 148 | 73% | 0.734 | 82% | 0.817 | S | S | * | * | -125.4 | 165.8 | -100 | 36.8 | -18.8 | 0 | 0 | 0 | 114.3 | |||||
| 115 | F | 29.7 | Very low | 33.9 | Very low | 213 Ų | 213 | 147.7 Ų | 147.7 | 93% | 0.934 | 82% | 0.816 | S | S | * | * | trans | -144.4 | 130.9 | 156.4 | -114.8 | -86.5 | 0 | 0 | 0 | 112.8 | ||||
| 116 | R | 38.1 | Very low | 34.1 | Very low | 238 Ų | 238 | 148.9 Ų | 148.9 | 90% | 0.898 | 81% | 0.808 | S | S | * | * | trans | -76.4 | 144.8 | 170.8 | -100.7 | -177.4 | 174.2 | -165.3 | -0.6 | 110.8 | ||||
| 117 | A | 33.4 | Very low | 34.1 | Very low | 105 Ų | 105 | 156.2 Ų | 156.2 | 87% | 0.868 | 82% | 0.822 | S | S | * | * | trans | -156.6 | 128.8 | 142.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 118 | D | 38.5 | Very low | 34.6 | Very low | 156 Ų | 156 | 158.8 Ų | 158.8 | 83% | 0.834 | 83% | 0.826 | S | S | * | * | trans | -59.5 | 152.3 | 171.3 | -86.1 | -51.3 | 0 | 0 | 0 | 114 | ||||
| 119 | C | 29.6 | Very low | 34.4 | Very low | 136 Ų | 136 | 160.3 Ų | 160.3 | 92% | 0.919 | 84% | 0.839 | S | S | * | * | trans | -174.4 | 122.8 | 141.7 | -85.1 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 120 | G | 31.3 | Very low | 34.2 | Very low | 73 Ų | 73 | 156 Ų | 156 | 75% | 0.753 | 84% | 0.839 | S | S | * | * | cis | 136.7 | 114.9 | 24.2 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 121 | L | 36.1 | Very low | 34 | Very low | 178 Ų | 178 | 151.8 Ų | 151.8 | 93% | 0.932 | 84% | 0.836 | S | S | * | * | trans | -50.3 | 143.8 | -178.3 | -79.7 | 102.2 | 0 | 0 | 0 | 113.8 | ||||
| 122 | R | 35.1 | Very low | 34.4 | Very low | 239 Ų | 239 | 156.2 Ų | 156.2 | 90% | 0.902 | 84% | 0.841 | S | S | * | * | trans | -106.7 | 108.5 | 155.1 | -96.7 | -162 | 171.6 | -112.1 | -0 | 111.9 | ||||
| 123 | Q | 33.8 | Very low | 35.3 | Very low | 159 Ų | 159 | 156.2 Ų | 156.2 | 74% | 0.743 | 83% | 0.832 | S | S | * | * | trans | 1.3 | 121.7 | 148.3 | -72.7 | 166.2 | -5.9 | 0 | 0 | 118.1 | ||||
| 124 | R | 32.1 | Very low | 35.1 | Very low | 211 Ų | 211 | 161 Ų | 161 | 80% | 0.796 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 116 | 156.2 | -170.5 | -177.4 | -166.2 | -89.5 | 2 | 105.9 | D126 | R124-D126 IonicContact NH1-OD1 3.29Å; R124-D126 PolarHBondContact NH1-OD1 3.33Å; R124-D126 IonicContact NH1-OD2 3.56Å |
| 125 | E | 31 | Very low | 34.1 | Very low | 165 Ų | 165 | 166.2 Ų | 166.2 | 77% | 0.771 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -90 | 116.4 | 173.9 | -79.9 | 168.9 | 147.2 | 0 | 0 | 109.2 | ||
| 126 | D | 33.2 | Very low | 34.1 | Very low | 129 Ų | 129 | 159 Ų | 159 | 69% | 0.69 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 133.4 | 161.9 | -76.9 | -41.8 | 0 | 0 | 0 | 108.3 | R124 | R124-D126 IonicContact NH1-OD1 3.29Å; R124-D126 PolarHBondContact NH1-OD1 3.33Å; R124-D126 IonicContact NH1-OD2 3.56Å |
| 127 | Y | 33.3 | Very low | 33.9 | Very low | 224 Ų | 224 | 153.9 Ų | 153.9 | 88% | 0.878 | 82% | 0.822 | S | S | * | * | trans | -130.5 | 125.1 | 156 | -103.5 | -87.1 | 0 | 0 | 0 | 109.2 | ||||
| 128 | R | 40.5 | Very low | 34 | Very low | 239 Ų | 239 | 154.7 Ų | 154.7 | 90% | 0.902 | 82% | 0.822 | S | S | * | * | trans | -119.4 | 158.1 | 162.2 | -101.3 | -160.6 | -170.5 | -159.4 | 4 | 108.1 | ||||
| 129 | D | 32.9 | Very low | 33.7 | Very low | 172 Ų | 172 | 150.5 Ų | 150.5 | 92% | 0.92 | 82% | 0.815 | S | S | * | * | trans | 88.6 | 129.6 | 168.2 | -126.5 | 22.1 | 0 | 0 | 0 | 114.1 | ||||
| 130 | G | 30.5 | Very low | 34.3 | Very low | 73 Ų | 73 | 150.2 Ų | 150.2 | 75% | 0.753 | 81% | 0.812 | S | S | * | * | cis | 165 | 149.2 | 6.8 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 131 | G | 27.7 | Very low | 34.6 | Very low | 83 Ų | 83 | 152.6 Ų | 152.6 | 86% | 0.856 | 81% | 0.814 | S | S | * | * | trans | 145.9 | 102.6 | 168 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 132 | L | 37.4 | Very low | 34.6 | Very low | 170 Ų | 170 | 152.5 Ų | 152.5 | 89% | 0.89 | 81% | 0.809 | S | S | * | * | trans | -64 | 170.5 | 156.7 | -68.3 | 159.9 | 0 | 0 | 0 | 110.2 | ||||
| 133 | P | 48.8 | Very low | 34.8 | Very low | 110 Ų | 110 | 146.7 Ų | 146.7 | 71% | 0.714 | 80% | 0.802 | S | S | * | * | cis | -153.4 | 179.4 | 29.2 | 39.4 | -15 | 0 | 0 | 0 | 119.6 | ||||
| 134 | Y | 32 | Very low | 34.8 | Very low | 195 Ų | 195 | 147.8 Ų | 147.8 | 77% | 0.765 | 81% | 0.807 | S | S | * | * | trans | 80.7 | 117.9 | 142.7 | -107.1 | -114.1 | 0 | 0 | 0 | 124.8 | ||||
| 135 | R | 31.4 | Very low | 35 | Very low | 222 Ų | 222 | 143.2 Ų | 143.2 | 84% | 0.838 | 81% | 0.805 | S | S | * | * | 65.7 | 129.9 | 128.5 | -171.2 | -173.2 | -90.4 | -121.7 | 3.9 | 118.7 | |||||
| 136 | G | 28.4 | Very low | 35.1 | Very low | 62 Ų | 62 | 143 Ų | 143 | 64% | 0.639 | 81% | 0.808 | S | S | * | * | cis | 172 | 163.6 | 4.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 137 | S | 35.3 | Very low | 35.5 | Very low | 130 Ų | 130 | 145 Ų | 145 | 91% | 0.909 | 81% | 0.813 | S | S | * | * | trans | 55.7 | 133.3 | 159.1 | -60.3 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 138 | S | 34.5 | Very low | 35.4 | Very low | 122 Ų | 122 | 145 Ų | 145 | 85% | 0.853 | 81% | 0.812 | S | S | * | * | cis | -163.8 | 134.9 | 37.6 | 48.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 139 | G | 31.8 | Very low | 34.9 | Very low | 68 Ų | 68 | 141.5 Ų | 141.5 | 70% | 0.701 | 81% | 0.805 | S | S | * | * | trans | -164.5 | 136.5 | 164.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 140 | P | 42.2 | Very low | 35.2 | Very low | 131 Ų | 131 | 136.5 Ų | 136.5 | 85% | 0.851 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 168.1 | -171.1 | 34 | -34.6 | 0 | 0 | 0 | 113.4 | ||
| 141 | P | 37.9 | Very low | 35.3 | Very low | 123 Ų | 123 | 137.6 Ų | 137.6 | 80% | 0.799 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -90.8 | 141 | -140.9 | 34.7 | -34.2 | 0 | 0 | 0 | 114.9 | ||
| 142 | Q | 35.7 | Very low | 35.7 | Very low | 175 Ų | 175 | 143.5 Ų | 143.5 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 132.3 | 155.1 | -79.3 | -87.3 | -21.7 | 0 | 0 | 108.7 | ||
| 143 | P | 39.9 | Very low | 35.7 | Very low | 117 Ų | 117 | 143.7 Ų | 143.7 | 76% | 0.76 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 136.2 | 163.3 | 7.5 | 7 | 0 | 0 | 0 | 110.6 | ||
| 144 | H | 33.5 | Very low | 35.4 | Very low | 182 Ų | 182 | 145 Ų | 145 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 158.9 | 179.7 | -90 | -84.7 | 0 | 0 | 0 | 114.6 | L146 | H144-L146 PolarHBondContact O-N 2.96Š|
| 145 | P | 38 | Very low | 35.9 | Very low | 116 Ų | 116 | 140 Ų | 140 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 117 | -175.4 | 31.5 | -30.8 | 0 | 0 | 0 | 111.2 | Q147 | P145-Q147 PolarHBondContact O-N 3.25Š|
| 146 | L | 32.8 | Very low | 36.6 | Very low | 161 Ų | 161 | 132.3 Ų | 132.3 | 84% | 0.843 | 76% | 0.762 | S | S | * | * | trans | -84.3 | 104.6 | 153.7 | -74.2 | 172.6 | 0 | 0 | 0 | 107.6 | H144 R148 | H144-L146 PolarHBondContact O-N 2.96Å; L146-R148 PolarHBondContact O-N 3.44Å | ||
| 147 | Q | 40.2 | Very low | 37.3 | Very low | 171 Ų | 171 | 134 Ų | 134 | 80% | 0.799 | 75% | 0.753 | S | S | * | * | 26.1 | 76.9 | 129.4 | -155.5 | 160.9 | -2.8 | 0 | 0 | 113.8 | P145 E149 | P145-Q147 PolarHBondContact O-N 3.25Å; Q147-E149 PolarHBondContact O-N 2.98Å; Q147-E149 VanDerWaalsContact O-N 3.08Å | |||
| 148 | R | 31.3 | Very low | 38.3 | Very low | 223 Ų | 223 | 131.8 Ų | 131.8 | 84% | 0.842 | 74% | 0.736 | S | S | * | * | trans | -74.5 | 95 | 167.3 | 179 | 176.5 | -96.7 | -119.3 | -1.7 | 107.3 | L146 S150 | L146-R148 PolarHBondContact O-N 3.44Å; R148-S150 PolarHBondContact O-N 3.45Å | ||
| 149 | E | 31.5 | Very low | 39.4 | Very low | 165 Ų | 165 | 131.2 Ų | 131.2 | 77% | 0.771 | 72% | 0.72 | S | S | * | * | trans | -50.5 | 117.3 | 157.3 | -70 | -179.9 | 155.9 | 0 | 0 | 108.7 | Q147 S151 | Q147-E149 PolarHBondContact O-N 2.98Å; Q147-E149 VanDerWaalsContact O-N 3.08Å; E149-S151 PolarHBondContact O-N 2.96Å | ||
| 150 | S | 37.6 | Very low | 41 | Very low | 67 Ų | 67 | 132.7 Ų | 132.7 | 47% | 0.469 | 71% | 0.711 | S | S | . | * | 40 | 61.3 | 125.7 | -155.6 | 0 | 0 | 0 | 0 | 116.8 | R148 W152 | R148-S150 PolarHBondContact O-N 3.45Å; S150-W152 VanDerWaalsContact C-N 3.34Å; S150-W152 PolarHBondContact O-N 3.08Å; S150-W152 WeakPolarHBondContact OG-CZ2 3.42Å; S150-W152 PolarHBondContact OG-NE1 2.91Å | |||
| 151 | S | 33.8 | Very low | 42.5 | Very low | 96 Ų | 96 | 132.7 Ų | 132.7 | 67% | 0.671 | 70% | 0.7 | S | S | * | * | trans | -89.6 | 74.4 | 165.3 | -179.9 | 0 | 0 | 0 | 0 | 109.4 | E149 | E149-S151 PolarHBondContact O-N 2.96Š| ||
| 152 | W | 36 | Very low | 44.4 | Very low | 208 Ų | 208 | 132.1 Ų | 132.1 | 79% | 0.788 | 69% | 0.687 | S | S | * | * | trans | -126.9 | 55.8 | 161.8 | 34.1 | -91.5 | 0 | 0 | 0 | 109.8 | S150 | S150-W152 VanDerWaalsContact C-N 3.34Å; S150-W152 PolarHBondContact O-N 3.08Å; S150-W152 WeakPolarHBondContact OG-CZ2 3.42Å; S150-W152 PolarHBondContact OG-NE1 2.91Å | ||
| 153 | E | 37.7 | Very low | 46.6 | Very low | 173 Ų | 173 | 128.9 Ų | 128.9 | 81% | 0.808 | 67% | 0.672 | S | S | * | * | trans | -115.2 | 100.3 | 162.5 | -69.2 | 176.3 | 166.5 | 0 | 0 | 104.9 | ||||
| 154 | T | 42.5 | Very low | 48.7 | Very low | 139 Ų | 139 | 128.2 Ų | 128.2 | 85% | 0.853 | 66% | 0.661 | S | S | * | * | -157 | 71.7 | 81 | -42.5 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 155 | A | 42.1 | Very low | 51.2 | Low | 89 Ų | 89 | 124 Ų | 124 | 74% | 0.736 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -87 | 104.4 | 153.1 | 0 | 0 | 0 | 0 | 0 | 104.5 | H157 | A155-H157 PolarHBondContact O-N 3.22Š|
| 156 | A | 45.1 | Very low | 53.6 | Low | 60 Ų | 60 | 124.3 Ų | 124.3 | 50% | 0.496 | 63% | 0.628 | S | S | . | * | trans | -47.6 | 121.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 157 | H | 44.3 | Very low | 56.3 | Low | 98 Ų | 98 | 124.1 Ų | 124.1 | 45% | 0.454 | 62% | 0.616 | S | S | . | * | trans | -56.4 | 127.2 | 179.9 | -151.7 | -100.3 | 0 | 0 | 0 | 106.6 | A155 E159 D160 E161 | A155-H157 PolarHBondContact O-N 3.22Å; H157-E159 IonicContact CE1-OE2 3.65Å; H157-E159 PolarHBondContact CE1-OE2 3.21Å; H157-E159 VanDerWaalsContact CE1-OE2 3.29Å; H157-E159 WeakPolarHBondContact ND1-CB 3.45Å; H157-E159 WeakPolarHBondContact ND1-CG 3.37Å; H157-E159 IonicContact ND1-OE2 2.8Å; H157-E159 PolarHBondContact O-N 3.41Å; H157-D160 HydrophobicContact CB-CB 4.49Å; H157-D160 PolarHBondContact O-N 3.41Å; H157-E161 PolarHBondContact O-N 3.49Å | ||
| 158 | P | 56.3 | Low | 58.7 | Low | 84 Ų | 84 | 120.5 Ų | 120.5 | 55% | 0.545 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -58.3 | -24 | 180 | 21.3 | -31 | 0 | 0 | 0 | 111.5 | E161 E162 | P158-E161 PolarHBondContact O-N 3.32Å; P158-E162 VanDerWaalsContact O-CB 3.32Å; P158-E162 WeakPolarHBondContact O-CB 3.45Å; P158-E162 WeakPolarHBondContact O-CG 3.4Å; P158-E162 PolarHBondContact O-N 3.16Å |
| 159 | E | 56.9 | Low | 61.3 | Low | 110 Ų | 110 | 113.3 Ų | 113.3 | 51% | 0.514 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -67 | -33 | 174.1 | -53.5 | -170.1 | 153.2 | 0 | 0 | 112.9 | H157 E162 E163 | H157-E159 IonicContact CE1-OE2 3.65Å; H157-E159 PolarHBondContact CE1-OE2 3.21Å; H157-E159 VanDerWaalsContact CE1-OE2 3.29Å; H157-E159 WeakPolarHBondContact ND1-CB 3.45Å; H157-E159 WeakPolarHBondContact ND1-CG 3.37Å; H157-E159 IonicContact ND1-OE2 2.8Å; H157-E159 PolarHBondContact O-N 3.41Å; E159-E162 PolarHBondContact O-N 2.91Å; E159-E163 VanDerWaalsContact O-CB 3.25Å; E159-E163 WeakPolarHBondContact O-CB 3.47Å; E159-E163 WeakPolarHBondContact O-CG 3.36Å; E159-E163 PolarHBondContact O-N 3.44Å |
| 160 | D | 65 | Low | 64.1 | Low | 99 Ų | 99 | 113.8 Ų | 113.8 | 53% | 0.529 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -72.1 | -38.3 | 178.1 | -73.3 | -29 | 0 | 0 | 0 | 111.5 | H157 E163 L164 | H157-D160 HydrophobicContact CB-CB 4.49Å; H157-D160 PolarHBondContact O-N 3.41Å; D160-E163 PolarHBondContact O-N 3.32Å; D160-L164 VanDerWaalsContact O-CB 3.32Å; D160-L164 WeakPolarHBondContact O-CB 3.4Å; D160-L164 PolarHBondContact O-N 2.93Å |
| 161 | E | 73.5 | Confident | 66.5 | Low | 130 Ų | 130 | 113.9 Ų | 113.9 | 61% | 0.607 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -69.1 | -40.1 | 173.4 | -70.2 | -169.9 | 170.5 | 0 | 0 | 111.3 | H157 P158 E163 L164 Q165 | H157-E161 PolarHBondContact O-N 3.49Å; P158-E161 PolarHBondContact O-N 3.32Å; E161-E163 VanDerWaalsContact C-N 3.35Å; E161-L164 PolarHBondContact O-N 3.26Å; E161-Q165 VanDerWaalsContact O-CB 3.27Å; E161-Q165 WeakPolarHBondContact O-CB 3.44Å; E161-Q165 PolarHBondContact O-N 2.74Å |
| 162 | E | 78.4 | Confident | 69.1 | Low | 111 Ų | 111 | 116.6 Ų | 116.6 | 52% | 0.519 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -67.1 | -33.3 | 173.7 | -75.2 | 179.4 | -169.5 | 0 | 0 | 112.5 | P158 E159 R166 | P158-E162 VanDerWaalsContact O-CB 3.32Å; P158-E162 WeakPolarHBondContact O-CB 3.45Å; P158-E162 WeakPolarHBondContact O-CG 3.4Å; P158-E162 PolarHBondContact O-N 3.16Å; E159-E162 PolarHBondContact O-N 2.91Å; E162-R166 VanDerWaalsContact O-CB 3.24Å; E162-R166 WeakPolarHBondContact O-CB 3.34Å; E162-R166 WeakPolarHBondContact O-CG 3.48Å; E162-R166 PolarHBondContact O-N 3.32Å; E162-R166 PolarHBondContact O-NE 2.79Å; E162-R166 VanDerWaalsContact O-NE 3.13Å |
| 163 | E | 82.9 | Confident | 71.5 | Confident | 108 Ų | 108 | 110.6 Ų | 110.6 | 51% | 0.505 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -71.3 | -41.3 | 173.9 | -79.7 | -175.1 | -174.2 | 0 | 0 | 111.9 | E159 D160 E161 Q165 R166 W167 | E159-E163 VanDerWaalsContact O-CB 3.25Å; E159-E163 WeakPolarHBondContact O-CB 3.47Å; E159-E163 WeakPolarHBondContact O-CG 3.36Å; E159-E163 PolarHBondContact O-N 3.44Å; D160-E163 PolarHBondContact O-N 3.32Å; E161-E163 VanDerWaalsContact C-N 3.35Å; E163-Q165 VanDerWaalsContact C-N 3.32Å; E163-R166 VanDerWaalsContact CG-NH2 3.31Å; E163-R166 PolarHBondContact O-N 2.61Å; E163-W167 WeakPolarHBondContact O-CB 3.39Å; E163-W167 PolarHBondContact O-N 2.92Å |
| 164 | L | 83.8 | Confident | 73.8 | Confident | 103 Ų | 103 | 105.6 Ų | 105.6 | 54% | 0.539 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.7 | -41.3 | 173.6 | -166 | 69.4 | 0 | 0 | 0 | 110.8 | D160 E161 W167 Q168 | D160-L164 VanDerWaalsContact O-CB 3.32Å; D160-L164 WeakPolarHBondContact O-CB 3.4Å; D160-L164 PolarHBondContact O-N 2.93Å; E161-L164 PolarHBondContact O-N 3.26Å; L164-W167 PolarHBondContact O-N 3.37Å; L164-Q168 VanDerWaalsContact O-CG 3.31Å; L164-Q168 WeakPolarHBondContact O-CG 3.39Å; L164-Q168 PolarHBondContact O-N 2.96Å |
| 165 | Q | 85.4 | Confident | 75.9 | Confident | 94 Ų | 94 | 106.8 Ų | 106.8 | 44% | 0.439 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.7 | -46.3 | 173.9 | -171.9 | 62.7 | 38.9 | 0 | 0 | 111.1 | E161 E163 W167 Q168 D169 | E161-Q165 VanDerWaalsContact O-CB 3.27Å; E161-Q165 WeakPolarHBondContact O-CB 3.44Å; E161-Q165 PolarHBondContact O-N 2.74Å; E163-Q165 VanDerWaalsContact C-N 3.32Å; Q165-W167 VanDerWaalsContact C-N 3.28Å; Q165-W167 PolarHBondContact O-N 3.08Å; Q165-Q168 PolarHBondContact O-N 3.48Å; Q165-D169 PolarHBondContact NE2-OD1 2.92Å; Q165-D169 WeakPolarHBondContact O-CB 3.42Å; Q165-D169 PolarHBondContact O-N 3Å |
| 166 | R | 88.9 | Confident | 77.7 | Confident | 121 Ų | 121 | 106.6 Ų | 106.6 | 46% | 0.457 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.3 | -35.7 | 176 | -79.2 | 179.7 | -76.6 | -176.1 | -0.7 | 112.1 | E162 E163 R170 | E162-R166 VanDerWaalsContact O-CB 3.24Å; E162-R166 WeakPolarHBondContact O-CB 3.34Å; E162-R166 WeakPolarHBondContact O-CG 3.48Å; E162-R166 PolarHBondContact O-N 3.32Å; E162-R166 PolarHBondContact O-NE 2.79Å; E162-R166 VanDerWaalsContact O-NE 3.13Å; E163-R166 VanDerWaalsContact CG-NH2 3.31Å; E163-R166 PolarHBondContact O-N 2.61Å; R166-R170 WeakPolarHBondContact O-CB 3.47Å; R166-R170 WeakPolarHBondContact O-CG 3.34Å; R166-R170 PolarHBondContact O-N 3.44Å |
| 167 | W | 89.4 | Confident | 79.4 | Confident | 157 Ų | 157 | 109.1 Ų | 109.1 | 60% | 0.595 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -69.5 | -43.9 | 175.2 | -178.3 | 88.7 | 0 | 0 | 0 | 111.7 | E163 L164 Q165 R170 Q171 | E163-W167 WeakPolarHBondContact O-CB 3.39Å; E163-W167 PolarHBondContact O-N 2.92Å; L164-W167 PolarHBondContact O-N 3.37Å; Q165-W167 VanDerWaalsContact C-N 3.28Å; Q165-W167 PolarHBondContact O-N 3.08Å; W167-R170 PolarHBondContact O-N 3.49Å; W167-Q171 HydrophobicContact CD2-CG 4.18Å; W167-Q171 HydrophobicContact CE3-CG 4.37Å; W167-Q171 HydrophobicContact CH2-CG 4.23Å; W167-Q171 HydrophobicContact CZ2-CG 4.01Å; W167-Q171 HydrophobicContact CZ3-CG 4.4Å; W167-Q171 WeakPolarHBondContact O-CG 3.49Å; W167-Q171 PolarHBondContact O-N 3.07Å |
| 168 | Q | 89.4 | Confident | 81 | Confident | 95 Ų | 95 | 110.9 Ų | 110.9 | 44% | 0.444 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.1 | -42.3 | 174.3 | -71.8 | -179.9 | 42 | 0 | 0 | 111.8 | L164 Q165 R170 Q171 W172 | L164-Q168 VanDerWaalsContact O-CG 3.31Å; L164-Q168 WeakPolarHBondContact O-CG 3.39Å; L164-Q168 PolarHBondContact O-N 2.96Å; Q165-Q168 PolarHBondContact O-N 3.48Å; Q168-R170 PolarHBondContact O-N 2.89Å; Q168-Q171 PolarHBondContact O-N 3.4Å; Q168-W172 VanDerWaalsContact O-CB 3.32Å; Q168-W172 WeakPolarHBondContact O-CB 3.43Å; Q168-W172 PolarHBondContact O-N 3.03Å |
| 169 | D | 87.4 | Confident | 81.7 | Confident | 72 Ų | 72 | 111.4 Ų | 111.4 | 39% | 0.385 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.2 | -39.2 | 177.2 | -69.9 | -12.2 | 0 | 0 | 0 | 111.5 | Q165 W172 L173 | Q165-D169 PolarHBondContact NE2-OD1 2.92Å; Q165-D169 WeakPolarHBondContact O-CB 3.42Å; Q165-D169 PolarHBondContact O-N 3Å; D169-W172 PolarHBondContact O-N 3.3Å; D169-L173 WeakPolarHBondContact O-CB 3.41Å; D169-L173 VanDerWaalsContact O-CG 3.32Å; D169-L173 WeakPolarHBondContact O-CG 3.46Å; D169-L173 PolarHBondContact O-N 3.28Å |
| 170 | R | 89.4 | Confident | 82.2 | Confident | 176 Ų | 176 | 115.5 Ų | 115.5 | 66% | 0.664 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65 | -43 | 173.7 | -77.3 | 171.7 | -172.8 | -99.9 | 3.8 | 111.8 | R166 W167 Q168 W172 L173 T174 | R166-R170 WeakPolarHBondContact O-CB 3.47Å; R166-R170 WeakPolarHBondContact O-CG 3.34Å; R166-R170 PolarHBondContact O-N 3.44Å; W167-R170 PolarHBondContact O-N 3.49Å; Q168-R170 PolarHBondContact O-N 2.89Å; R170-W172 VanDerWaalsContact C-N 3.33Å; R170-L173 PolarHBondContact O-N 3.26Å; R170-T174 WeakPolarHBondContact O-CB 3.44Å; R170-T174 PolarHBondContact O-N 2.67Å; R170-T174 PolarHBondContact O-OG1 2.79Å |
| 171 | Q | 87.8 | Confident | 81.5 | Confident | 69 Ų | 69 | 113.7 Ų | 113.7 | 32% | 0.322 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.6 | -41.6 | 174.9 | -73.5 | -66.9 | -41.2 | 0 | 0 | 111.2 | W167 Q168 T174 R175 | W167-Q171 HydrophobicContact CD2-CG 4.18Å; W167-Q171 HydrophobicContact CE3-CG 4.37Å; W167-Q171 HydrophobicContact CH2-CG 4.23Å; W167-Q171 HydrophobicContact CZ2-CG 4.01Å; W167-Q171 HydrophobicContact CZ3-CG 4.4Å; W167-Q171 WeakPolarHBondContact O-CG 3.49Å; W167-Q171 PolarHBondContact O-N 3.07Å; Q168-Q171 PolarHBondContact O-N 3.4Å; Q171-T174 PolarHBondContact O-N 3.39Å; Q171-R175 WeakPolarHBondContact O-CG 3.4Å; Q171-R175 PolarHBondContact O-N 3.46Å |
| 172 | W | 89.7 | Confident | 80.6 | Confident | 152 Ų | 152 | 109.7 Ų | 109.7 | 58% | 0.576 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.7 | -47.9 | 175.5 | 179.1 | 85.1 | 0 | 0 | 0 | 111.7 | Q168 D169 R170 T174 R175 F176 | Q168-W172 VanDerWaalsContact O-CB 3.32Å; Q168-W172 WeakPolarHBondContact O-CB 3.43Å; Q168-W172 PolarHBondContact O-N 3.03Å; D169-W172 PolarHBondContact O-N 3.3Å; R170-W172 VanDerWaalsContact C-N 3.33Å; W172-T174 VanDerWaalsContact C-N 3.3Å; W172-T174 PolarHBondContact O-N 3.01Å; W172-R175 PolarHBondContact O-N 3.12Å; W172-F176 HydrophobicContact CH2-CD2 4.22Å; W172-F176 HydrophobicContact CH2-CG 4.25Å; W172-F176 HydrophobicContact CZ2-CD2 4.02Å; W172-F176 HydrophobicContact CZ2-CG 4.36Å; W172-F176 WeakPolarHBondContact O-CB 3.04Å; W172-F176 PolarHBondContact O-N 3.48Å |
| 173 | L | 86.4 | Confident | 79.3 | Confident | 83 Ų | 83 | 110 Ų | 110 | 44% | 0.435 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60.1 | -40.2 | 176 | -79.7 | 169.5 | 0 | 0 | 0 | 111.7 | D169 R170 F176 L177 | D169-L173 WeakPolarHBondContact O-CB 3.41Å; D169-L173 VanDerWaalsContact O-CG 3.32Å; D169-L173 WeakPolarHBondContact O-CG 3.46Å; D169-L173 PolarHBondContact O-N 3.28Å; R170-L173 PolarHBondContact O-N 3.26Å; L173-F176 PolarHBondContact O-N 3.01Å; L173-L177 WeakPolarHBondContact O-CB 3.42Å; L173-L177 VanDerWaalsContact O-CG 3.22Å; L173-L177 WeakPolarHBondContact O-CG 3.36Å; L173-L177 PolarHBondContact O-N 3.39Å |
| 174 | T | 85.8 | Confident | 77.4 | Confident | 67 Ų | 67 | 110.9 Ų | 110.9 | 41% | 0.411 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.7 | -45.8 | 178.4 | -53.7 | 0 | 0 | 0 | 0 | 110.6 | R170 Q171 W172 Q178 | R170-T174 WeakPolarHBondContact O-CB 3.44Å; R170-T174 PolarHBondContact O-N 2.67Å; R170-T174 PolarHBondContact O-OG1 2.79Å; Q171-T174 PolarHBondContact O-N 3.39Å; W172-T174 VanDerWaalsContact C-N 3.3Å; W172-T174 PolarHBondContact O-N 3.01Å; T174-Q178 WeakPolarHBondContact O-CB 3.5Å; T174-Q178 WeakPolarHBondContact O-CG 3.44Å; T174-Q178 PolarHBondContact O-N 3.13Å |
| 175 | R | 84.9 | Confident | 75.5 | Confident | 165 Ų | 165 | 113.8 Ų | 113.8 | 62% | 0.623 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -66.1 | -39.2 | 174.2 | -70.7 | 178.9 | -175.1 | 138.7 | 2.4 | 112.3 | Q171 W172 Q178 S179 | Q171-R175 WeakPolarHBondContact O-CG 3.4Å; Q171-R175 PolarHBondContact O-N 3.46Å; W172-R175 PolarHBondContact O-N 3.12Å; R175-Q178 PolarHBondContact O-N 3.18Å; R175-S179 VanDerWaalsContact O-CB 3.32Å; R175-S179 WeakPolarHBondContact O-CB 3.46Å; R175-S179 PolarHBondContact O-N 3.16Å; R175-S179 PolarHBondContact O-OG 3.3Å |
| 176 | F | 81.9 | Confident | 73.3 | Confident | 84 Ų | 84 | 116.6 Ų | 116.6 | 37% | 0.368 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -63.3 | -46.6 | 178.2 | -180 | -100 | 0 | 0 | 0 | 111 | W172 L173 S179 R180 | W172-F176 HydrophobicContact CH2-CD2 4.22Å; W172-F176 HydrophobicContact CH2-CG 4.25Å; W172-F176 HydrophobicContact CZ2-CD2 4.02Å; W172-F176 HydrophobicContact CZ2-CG 4.36Å; W172-F176 WeakPolarHBondContact O-CB 3.04Å; W172-F176 PolarHBondContact O-N 3.48Å; L173-F176 PolarHBondContact O-N 3.01Å; F176-S179 PolarHBondContact O-N 3.36Å; F176-S179 PolarHBondContact O-OG 2.76Å; F176-R180 WeakPolarHBondContact O-CB 3.48Å; F176-R180 PolarHBondContact O-N 2.94Å |
| 177 | L | 80.8 | Confident | 71.2 | Confident | 113 Ų | 113 | 115.9 Ų | 115.9 | 59% | 0.592 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -67.1 | -38.6 | 176.3 | -69.4 | 171.9 | 0 | 0 | 0 | 112 | L173 R180 G181 | L173-L177 WeakPolarHBondContact O-CB 3.42Å; L173-L177 VanDerWaalsContact O-CG 3.22Å; L173-L177 WeakPolarHBondContact O-CG 3.36Å; L173-L177 PolarHBondContact O-N 3.39Å; L177-R180 PolarHBondContact O-N 3.5Å; L177-G181 PolarHBondContact O-N 3.15Å |
| 178 | Q | 77.9 | Confident | 68.8 | Low | 136 Ų | 136 | 116.3 Ų | 116.3 | 64% | 0.636 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -64.6 | -38.4 | 173 | -74.2 | 171.5 | 7.3 | 0 | 0 | 112.2 | T174 R175 R180 | T174-Q178 WeakPolarHBondContact O-CB 3.5Å; T174-Q178 WeakPolarHBondContact O-CG 3.44Å; T174-Q178 PolarHBondContact O-N 3.13Å; R175-Q178 PolarHBondContact O-N 3.18Å; Q178-R180 VanDerWaalsContact C-N 3.27Å; Q178-R180 PolarHBondContact O-N 3.02Å |
| 179 | S | 70.8 | Confident | 66.3 | Low | 94 Ų | 94 | 119.8 Ų | 119.8 | 66% | 0.657 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -71.2 | -22.6 | 176.6 | 73.6 | 0 | 0 | 0 | 0 | 113.4 | R175 F176 | R175-S179 VanDerWaalsContact O-CB 3.32Å; R175-S179 WeakPolarHBondContact O-CB 3.46Å; R175-S179 PolarHBondContact O-N 3.16Å; R175-S179 PolarHBondContact O-OG 3.3Å; F176-S179 PolarHBondContact O-N 3.36Å; F176-S179 PolarHBondContact O-OG 2.76Å |
| 180 | R | 65.8 | Low | 64.3 | Low | 197 Ų | 197 | 125 Ų | 125 | 74% | 0.743 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -97.2 | -17.7 | 178.7 | -155.4 | 179 | 173.4 | -158.7 | -3.6 | 113.3 | F176 L177 Q178 | F176-R180 WeakPolarHBondContact O-CB 3.48Å; F176-R180 PolarHBondContact O-N 2.94Å; L177-R180 PolarHBondContact O-N 3.5Å; Q178-R180 VanDerWaalsContact C-N 3.27Å; Q178-R180 PolarHBondContact O-N 3.02Å |
| 181 | G | 50.4 | Low | 62.2 | Low | 60 Ų | 60 | 126.8 Ų | 126.8 | 62% | 0.619 | 65% | 0.65 | S | S | * | * | trans | -98.6 | 19.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | L177 | L177-G181 PolarHBondContact O-N 3.15Š| ||
| 182 | G | 54.3 | Low | 60.6 | Low | 47 Ų | 47 | 126.6 Ų | 126.6 | 49% | 0.485 | 66% | 0.656 | S | S | . | * | S | Bend | trans | -57 | 144.7 | 164.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 183 | P | 51.4 | Low | 59.2 | Low | 116 Ų | 116 | 126.3 Ų | 126.3 | 75% | 0.753 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 145.5 | 177.2 | 22.4 | -31.3 | 0 | 0 | 0 | 109.7 | D185 | P183-D185 PolarHBondContact O-N 3.39Š|
| 184 | P | 44.4 | Very low | 58 | Low | 127 Ų | 127 | 123.6 Ų | 123.6 | 83% | 0.825 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 120.1 | 174 | 24.1 | -32 | 0 | 0 | 0 | 107.7 | N186 | P184-N186 PolarHBondContact O-N 3.46Š|
| 185 | D | 43.8 | Very low | 57 | Low | 164 Ų | 164 | 121 Ų | 121 | 88% | 0.877 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -46 | 130.8 | 170.7 | -86 | -33.9 | 0 | 0 | 0 | 108.6 | P183 | P183-D185 PolarHBondContact O-N 3.39Š|
| 186 | N | 37.8 | Very low | 56.8 | Low | 154 Ų | 154 | 115.8 Ų | 115.8 | 82% | 0.824 | 63% | 0.627 | S | S | * | * | trans | -43.1 | 145.7 | 178.4 | -126.3 | -7.6 | 0 | 0 | 0 | 111.7 | P184 Q188 | P184-N186 PolarHBondContact O-N 3.46Å; N186-Q188 PolarHBondContact O-N 2.94Å | ||
| 187 | P | 45.1 | Very low | 56.8 | Low | 105 Ų | 105 | 113.9 Ų | 113.9 | 68% | 0.682 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -69.1 | 132.3 | -173.2 | 28.2 | -29.6 | 0 | 0 | 0 | 110.7 | ||
| 188 | Q | 40 | Very low | 57.1 | Low | 167 Ų | 167 | 112 Ų | 112 | 78% | 0.78 | 62% | 0.616 | S | S | * | * | trans | 65.8 | 64.3 | 145.7 | -160.6 | 175.4 | -22 | 0 | 0 | 115.3 | N186 Q190 | N186-Q188 PolarHBondContact O-N 2.94Å; Q188-Q190 PolarHBondContact O-N 3.24Å | ||
| 189 | E | 37 | Very low | 57.5 | Low | 168 Ų | 168 | 108.1 Ų | 108.1 | 79% | 0.785 | 60% | 0.602 | S | S | * | * | trans | -62.8 | 124.1 | 138.7 | -89.2 | -178.7 | 164.6 | 0 | 0 | 107.1 | R191 | E189-R191 PolarHBondContact O-N 3Š| ||
| 190 | Q | 44.5 | Very low | 58.3 | Low | 180 Ų | 180 | 105 Ų | 105 | 84% | 0.841 | 58% | 0.577 | S | S | * | * | trans | -58.3 | 77.8 | 171.9 | -70.3 | 176.6 | -9.6 | 0 | 0 | 109.6 | Q188 S192 | Q188-Q190 PolarHBondContact O-N 3.24Å; Q190-S192 PolarHBondContact O-N 3.37Å | ||
| 191 | R | 46.4 | Very low | 59.4 | Low | 214 Ų | 214 | 101.3 Ų | 101.3 | 81% | 0.808 | 57% | 0.566 | S | S | * | * | trans | -69 | 112.9 | 162.1 | -73.7 | -177.2 | 174.7 | 170.2 | 2.3 | 105.3 | E189 D193 | E189-R191 PolarHBondContact O-N 3Å; R191-D193 PolarHBondContact O-N 3.06Å | ||
| 192 | S | 52.9 | Low | 61.2 | Low | 65 Ų | 65 | 104.4 Ų | 104.4 | 46% | 0.455 | 57% | 0.565 | S | S | . | * | trans | -37.2 | 124.2 | 171.1 | -51.5 | 0 | 0 | 0 | 0 | 110.2 | Q190 L194 G195 N257 | Q190-S192 PolarHBondContact O-N 3.37Å; S192-L194 PolarHBondContact O-N 3.19Å; S192-G195 PolarHBondContact O-N 3.05Å; S192-N257 WeakPolarHBondContact CB-OD1 3.32Å | ||
| 193 | D | 60.6 | Low | 62.8 | Low | 146 Ų | 146 | 103.6 Ų | 103.6 | 78% | 0.781 | 55% | 0.553 | S | S | * | * | G | 310 helix | trans | -51.7 | -21.2 | -175.1 | -79.9 | -37.3 | 0 | 0 | 0 | 113.7 | R191 V199 | R191-D193 PolarHBondContact O-N 3.06Å; D193-V199 WeakPolarHBondContact O-CG1 3.34Å |
| 194 | L | 60.7 | Low | 64.6 | Low | 27 Ų | 27 | 102.1 Ų | 102.1 | 14% | 0.141 | 54% | 0.538 | C | S | . | . | G | 310 helix | trans | -84.3 | -0.6 | 178.8 | -65.3 | 171.7 | 0 | 0 | 0 | 114.9 | S192 S196 A203 K251 L252 | S192-L194 PolarHBondContact O-N 3.19Å; L194-S196 PolarHBondContact O-N 3.26Å; L194-S196 VanDerWaalsContact O-N 3.13Å; L194-A203 HydrophobicContact CD2-CB 3.65Å; L194-K251 HydrophobicContact CD1-CB 3.92Å; L194-K251 WeakPolarHBondContact CD1-O 3.3Å; L194-L252 HydrophobicContact CD2-CD2 4.41Å |
| 195 | G | 65.3 | Low | 66.9 | Low | 13 Ų | 13 | 102.4 Ų | 102.4 | 13% | 0.134 | 52% | 0.524 | C | S | . | . | G | 310 helix | trans | -68.6 | -7.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | S192 K264 | S192-G195 PolarHBondContact O-N 3.05Å; G195-K264 PolarHBondContact O-NZ 2.98Å |
| 196 | S | 80.4 | Confident | 69.2 | Low | 54 Ų | 54 | 95.1 Ų | 95.1 | 38% | 0.378 | 49% | 0.487 | S | S | . | . | S | Bend | trans | -103.9 | 133.3 | 179.6 | -170.6 | 0 | 0 | 0 | 0 | 111.6 | L194 P198 V199 F200 | L194-S196 PolarHBondContact O-N 3.26Å; L194-S196 VanDerWaalsContact O-N 3.13Å; S196-P198 VanDerWaalsContact OG-CD 3.31Å; S196-P198 WeakPolarHBondContact OG-CD 3.41Å; S196-P198 WeakPolarHBondContact OG-CG 3.46Å; S196-V199 PolarHBondContact O-N 3.26Å; S196-V199 VanDerWaalsContact O-N 3.17Å; S196-F200 PolarHBondContact O-N 2.93Å |
| 197 | V | 83.4 | Confident | 71.8 | Confident | 45 Ų | 45 | 88 Ų | 88 | 27% | 0.273 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -51.9 | -48.4 | 179.9 | -176.9 | 0 | 0 | 0 | 0 | 113.9 | K201 L261 K264 V265 I268 | V197-K201 WeakPolarHBondContact O-CB 3.35Å; V197-K201 PolarHBondContact O-N 3.41Å; V197-L261 HydrophobicContact CB-CD1 4.05Å; V197-L261 HydrophobicContact CG1-CD1 4.5Å; V197-L261 HydrophobicContact CG2-CD1 3.55Å; V197-K264 HydrophobicContact CG2-CB 4.31Å; V197-V265 HydrophobicContact CG1-CG2 4.28Å; V197-V265 HydrophobicContact CG2-CG2 4.12Å; V197-I268 HydrophobicContact CG2-CD1 4.07Å |
| 198 | P | 86.7 | Confident | 74.1 | Confident | 72 Ų | 72 | 85.2 Ų | 85.2 | 47% | 0.468 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -63.5 | -41.4 | 176.7 | 22.4 | -34.7 | 0 | 0 | 0 | 113.4 | S196 K201 E202 | S196-P198 VanDerWaalsContact OG-CD 3.31Å; S196-P198 WeakPolarHBondContact OG-CD 3.41Å; S196-P198 WeakPolarHBondContact OG-CG 3.46Å; P198-K201 WeakPolarHBondContact O-CB 3.43Å; P198-K201 PolarHBondContact O-N 2.86Å; P198-E202 WeakPolarHBondContact O-CG 3.37Å; P198-E202 PolarHBondContact O-N 3.22Å |
| 199 | V | 85.8 | Confident | 76.7 | Confident | 56 Ų | 56 | 85.3 Ų | 85.3 | 34% | 0.339 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -68.3 | -40.5 | -178.5 | -176.6 | 0 | 0 | 0 | 0 | 111.1 | D193 S196 K201 E202 A203 | D193-V199 WeakPolarHBondContact O-CG1 3.34Å; S196-V199 PolarHBondContact O-N 3.26Å; S196-V199 VanDerWaalsContact O-N 3.17Å; V199-K201 VanDerWaalsContact C-N 3.34Å; V199-K201 PolarHBondContact O-N 2.93Å; V199-E202 PolarHBondContact O-N 3.5Å; V199-A203 WeakPolarHBondContact O-CB 3.49Å; V199-A203 PolarHBondContact O-N 3.21Å |
| 200 | F | 86.9 | Confident | 79.4 | Confident | 29 Ų | 29 | 78.4 Ų | 78.4 | 13% | 0.127 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -61.9 | -42.2 | 172.1 | -175.4 | -87.7 | 0 | 0 | 0 | 111.9 | S196 A203 L204 L252 L258 L261 | S196-F200 PolarHBondContact O-N 2.93Å; F200-A203 PolarHBondContact O-N 3.33Å; F200-L204 VanDerWaalsContact O-CB 3.3Å; F200-L204 WeakPolarHBondContact O-CB 3.39Å; F200-L204 PolarHBondContact O-N 3.3Å; F200-L252 HydrophobicContact CD2-CD2 3.74Å; F200-L252 HydrophobicContact CE2-CB 4.4Å; F200-L252 HydrophobicContact CE2-CD2 3.56Å; F200-L252 HydrophobicContact CG-CD2 4.32Å; F200-L252 HydrophobicContact CZ-CD2 3.99Å; F200-L258 HydrophobicContact CE2-CD1 4.42Å; F200-L258 HydrophobicContact CZ-CD1 4.01Å; F200-L261 HydrophobicContact CB-CD1 4.41Å; F200-L261 HydrophobicContact CB-CD2 3.85Å; F200-L261 HydrophobicContact CD1-CD2 3.24Å; F200-L261 HydrophobicContact CD2-CD2 3.62Å; F200-L261 HydrophobicContact CE1-CD2 3.55Å; F200-L261 HydrophobicContact CE2-CD2 3.89Å; F200-L261 HydrophobicContact CG-CD2 3.28Å; F200-L261 HydrophobicContact CZ-CD2 3.85Å |
| 201 | K | 88.8 | Confident | 81.7 | Confident | 118 Ų | 118 | 74 Ų | 74 | 51% | 0.513 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60.9 | -45.3 | 176.8 | -177.1 | 179.9 | 177.6 | -175.1 | 0 | 111.1 | V197 P198 V199 L204 Y205 | V197-K201 WeakPolarHBondContact O-CB 3.35Å; V197-K201 PolarHBondContact O-N 3.41Å; P198-K201 WeakPolarHBondContact O-CB 3.43Å; P198-K201 PolarHBondContact O-N 2.86Å; V199-K201 VanDerWaalsContact C-N 3.34Å; V199-K201 PolarHBondContact O-N 2.93Å; K201-L204 PolarHBondContact O-N 3.46Å; K201-Y205 HydrophobicContact CD-CE2 4.04Å; K201-Y205 VanDerWaalsContact CE-CE2 3.45Å; K201-Y205 HydrophobicContact CG-CD2 3.72Å; K201-Y205 HydrophobicContact CG-CE2 3.37Å; K201-Y205 WeakPolarHBondContact O-CD2 3.49Å; K201-Y205 PolarHBondContact O-N 3.35Å |
| 202 | E | 89.8 | Confident | 84 | Confident | 126 Ų | 126 | 66.9 Ų | 66.9 | 59% | 0.589 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -63.9 | -43.5 | 176.5 | -74.4 | 171.2 | -168.3 | 0 | 0 | 112.6 | P198 V199 Y205 G206 | P198-E202 WeakPolarHBondContact O-CG 3.37Å; P198-E202 PolarHBondContact O-N 3.22Å; V199-E202 PolarHBondContact O-N 3.5Å; E202-Y205 PolarHBondContact O-N 3.04Å; E202-G206 PolarHBondContact O-N 3.05Å |
| 203 | A | 87.6 | Confident | 85.9 | Confident | 29 Ų | 29 | 70 Ų | 70 | 24% | 0.24 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -63.3 | -41 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | L194 V199 F200 G206 A207 L252 | L194-A203 HydrophobicContact CD2-CB 3.65Å; V199-A203 WeakPolarHBondContact O-CB 3.49Å; V199-A203 PolarHBondContact O-N 3.21Å; F200-A203 PolarHBondContact O-N 3.33Å; A203-G206 PolarHBondContact O-N 2.89Å; A203-A207 WeakPolarHBondContact O-CB 3.41Å; A203-A207 PolarHBondContact O-N 3.33Å; A203-L252 HydrophobicContact CB-CD2 3.91Å |
| 204 | L | 89.6 | Confident | 87.4 | Confident | 86 Ų | 86 | 64.5 Ų | 64.5 | 45% | 0.45 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.6 | -49.7 | 175 | -178.3 | 66.6 | 0 | 0 | 0 | 111.6 | F200 K201 G206 A207 A208 L252 | F200-L204 VanDerWaalsContact O-CB 3.3Å; F200-L204 WeakPolarHBondContact O-CB 3.39Å; F200-L204 PolarHBondContact O-N 3.3Å; K201-L204 PolarHBondContact O-N 3.46Å; L204-G206 VanDerWaalsContact C-N 3.28Å; L204-G206 PolarHBondContact O-N 2.97Å; L204-A207 PolarHBondContact O-N 2.88Å; L204-A208 WeakPolarHBondContact O-CB 3.3Å; L204-A208 PolarHBondContact O-N 3Å; L204-L252 HydrophobicContact CD1-CD1 4.25Å |
| 205 | Y | 92.5 | Very high | 89 | Confident | 132 Ų | 132 | 70.1 Ų | 70.1 | 52% | 0.518 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -67.3 | -30 | 175.9 | -73.5 | -60.7 | 0 | 0 | 0 | 112.8 | K201 E202 R209 | K201-Y205 HydrophobicContact CD-CE2 4.04Å; K201-Y205 VanDerWaalsContact CE-CE2 3.45Å; K201-Y205 HydrophobicContact CG-CD2 3.72Å; K201-Y205 HydrophobicContact CG-CE2 3.37Å; K201-Y205 WeakPolarHBondContact O-CD2 3.49Å; K201-Y205 PolarHBondContact O-N 3.35Å; E202-Y205 PolarHBondContact O-N 3.04Å; Y205-R209 WeakPolarHBondContact O-CG 3.39Å; Y205-R209 PolarHBondContact O-N 2.97Å; Y205-R209 PolarHBondContact O-NE 3.47Å; Y205-R209 VanDerWaalsContact O-NE 3.14Å |
| 206 | G | 91.9 | Very high | 90.3 | Very high | 11 Ų | 11 | 75.4 Ų | 75.4 | 11% | 0.113 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -66.6 | -41.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | E202 A203 L204 L210 | E202-G206 PolarHBondContact O-N 3.05Å; A203-G206 PolarHBondContact O-N 2.89Å; L204-G206 VanDerWaalsContact C-N 3.28Å; L204-G206 PolarHBondContact O-N 2.97Å; G206-L210 PolarHBondContact O-N 3.29Å |
| 207 | A | 92 | Very high | 90.6 | Very high | 4 Ų | 4 | 74.2 Ų | 74.2 | 3% | 0.033 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -67.6 | -41.6 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | A203 L204 R209 L210 L211 K248 L252 | A203-A207 WeakPolarHBondContact O-CB 3.41Å; A203-A207 PolarHBondContact O-N 3.33Å; L204-A207 PolarHBondContact O-N 2.88Å; A207-R209 VanDerWaalsContact C-N 3.31Å; A207-R209 PolarHBondContact O-N 3.29Å; A207-L210 PolarHBondContact O-N 2.9Å; A207-L211 PolarHBondContact O-N 3.39Å; A207-K248 HydrophobicContact CB-CB 4.15Å; A207-K248 HydrophobicContact CB-CD 4.42Å; A207-L252 HydrophobicContact CB-CD1 4.04Å |
| 208 | A | 92.8 | Very high | 90.8 | Very high | 47 Ų | 47 | 74.8 Ų | 74.8 | 39% | 0.388 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.2 | -40 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L204 L211 S212 | L204-A208 WeakPolarHBondContact O-CB 3.3Å; L204-A208 PolarHBondContact O-N 3Å; A208-L211 WeakPolarHBondContact O-CB 3.37Å; A208-L211 PolarHBondContact O-N 2.95Å; A208-S212 PolarHBondContact O-N 3.35Å; A208-S212 PolarHBondContact O-OG 3.4Å |
| 209 | R | 95 | Very high | 90.9 | Very high | 170 Ų | 170 | 75.1 Ų | 75.1 | 64% | 0.642 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -63.1 | -42.7 | 174.5 | -79.7 | 178.7 | -84.6 | 173.9 | -7.1 | 112.9 | Y205 A207 L211 S212 R213 | Y205-R209 WeakPolarHBondContact O-CG 3.39Å; Y205-R209 PolarHBondContact O-N 2.97Å; Y205-R209 PolarHBondContact O-NE 3.47Å; Y205-R209 VanDerWaalsContact O-NE 3.14Å; A207-R209 VanDerWaalsContact C-N 3.31Å; A207-R209 PolarHBondContact O-N 3.29Å; R209-L211 VanDerWaalsContact C-N 3.33Å; R209-S212 PolarHBondContact O-N 3.03Å; R209-R213 PolarHBondContact O-N 3.5Å |
| 210 | L | 93.2 | Very high | 90.9 | Very high | 23 Ų | 23 | 74.3 Ų | 74.3 | 12% | 0.12 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -66.7 | -35.1 | 176.3 | -70.8 | 175.2 | 0 | 0 | 0 | 112.2 | G206 A207 R213 L214 I241 E244 V245 K248 | G206-L210 PolarHBondContact O-N 3.29Å; A207-L210 PolarHBondContact O-N 2.9Å; L210-R213 PolarHBondContact O-N 2.94Å; L210-L214 WeakPolarHBondContact O-CB 3.39Å; L210-L214 PolarHBondContact O-N 2.71Å; L210-I241 HydrophobicContact CB-CG2 4.25Å; L210-I241 HydrophobicContact CD2-CG2 4.43Å; L210-I241 WeakPolarHBondContact O-CG2 3.32Å; L210-E244 HydrophobicContact CD1-CB 4.19Å; L210-V245 HydrophobicContact CB-CG2 3.58Å; L210-K248 HydrophobicContact CD1-CD 3.9Å |
| 211 | L | 93.5 | Very high | 90.8 | Very high | 87 Ų | 87 | 73.8 Ų | 73.8 | 46% | 0.455 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.9 | -42.9 | 172.5 | -80.3 | 169.3 | 0 | 0 | 0 | 112.2 | A207 A208 R209 R213 L214 K215 V245 | A207-L211 PolarHBondContact O-N 3.39Å; A208-L211 WeakPolarHBondContact O-CB 3.37Å; A208-L211 PolarHBondContact O-N 2.95Å; R209-L211 VanDerWaalsContact C-N 3.33Å; L211-R213 VanDerWaalsContact C-N 3.35Å; L211-L214 PolarHBondContact O-N 3.15Å; L211-K215 WeakPolarHBondContact O-CB 3.38Å; L211-K215 PolarHBondContact O-N 2.86Å; L211-V245 HydrophobicContact CD2-CG1 3.55Å; L211-V245 HydrophobicContact CD2-CG2 4.3Å; L211-V245 HydrophobicContact CG-CG1 3.86Å; L211-V245 HydrophobicContact CG-CG2 4.23Å |
| 212 | S | 94.1 | Very high | 90.5 | Very high | 65 Ų | 65 | 74.3 Ų | 74.3 | 46% | 0.455 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -59.9 | -45.6 | 173.7 | -59.6 | 0 | 0 | 0 | 0 | 111.5 | A208 R209 L214 K215 E216 | A208-S212 PolarHBondContact O-N 3.35Å; A208-S212 PolarHBondContact O-OG 3.4Å; R209-S212 PolarHBondContact O-N 3.03Å; S212-L214 PolarHBondContact O-N 2.92Å; S212-K215 WeakPolarHBondContact O-CB 3.44Å; S212-K215 PolarHBondContact O-N 3.28Å; S212-E216 WeakPolarHBondContact O-CG 3.45Å; S212-E216 PolarHBondContact O-N 3.02Å |
| 213 | R | 93.3 | Very high | 90.1 | Very high | 131 Ų | 131 | 75.3 Ų | 75.3 | 49% | 0.494 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64.1 | -38.5 | 177.4 | -169.5 | 173.8 | 177.5 | -167.1 | 1 | 112.8 | R209 L210 L211 K215 E216 L217 I241 | R209-R213 PolarHBondContact O-N 3.5Å; L210-R213 PolarHBondContact O-N 2.94Å; L211-R213 VanDerWaalsContact C-N 3.35Å; R213-K215 VanDerWaalsContact C-N 3.34Å; R213-E216 PolarHBondContact O-N 3.38Å; R213-L217 WeakPolarHBondContact O-CG 3.39Å; R213-L217 PolarHBondContact O-N 3.37Å; R213-I241 HydrophobicContact CB-CD1 4.32Å; R213-I241 HydrophobicContact CG-CD1 3.69Å |
| 214 | L | 92.8 | Very high | 89.4 | Confident | 29 Ų | 29 | 77.5 Ų | 77.5 | 15% | 0.152 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -63.8 | -41.3 | 173.9 | -177.6 | 59.9 | 0 | 0 | 0 | 111.4 | L210 L211 S212 E216 L217 C218 A238 I241 K242 | L210-L214 WeakPolarHBondContact O-CB 3.39Å; L210-L214 PolarHBondContact O-N 2.71Å; L211-L214 PolarHBondContact O-N 3.15Å; S212-L214 PolarHBondContact O-N 2.92Å; L214-E216 VanDerWaalsContact C-N 3.35Å; L214-L217 PolarHBondContact O-N 2.89Å; L214-C218 PolarHBondContact O-N 3.22Å; L214-C218 PolarHBondContact O-SG 3.44Å; L214-A238 HydrophobicContact CD1-CB 4.04Å; L214-A238 VanDerWaalsContact CD1-O 3.27Å; L214-A238 WeakPolarHBondContact CD1-O 3.33Å; L214-I241 HydrophobicContact CB-CG2 3.83Å; L214-I241 HydrophobicContact CD1-CB 4.37Å; L214-I241 HydrophobicContact CD1-CG2 4.43Å; L214-K242 HydrophobicContact CD1-CB 4.4Å; L214-K242 HydrophobicContact CD2-CB 4.18Å |
| 215 | K | 93.1 | Very high | 88.7 | Confident | 146 Ų | 146 | 78.8 Ų | 78.8 | 64% | 0.635 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -61.8 | -43.6 | 176.4 | -175.3 | -178.6 | 178.7 | -177.4 | 0 | 111.3 | L211 S212 R213 C218 L219 | L211-K215 WeakPolarHBondContact O-CB 3.38Å; L211-K215 PolarHBondContact O-N 2.86Å; S212-K215 WeakPolarHBondContact O-CB 3.44Å; S212-K215 PolarHBondContact O-N 3.28Å; R213-K215 VanDerWaalsContact C-N 3.34Å; K215-C218 PolarHBondContact O-N 3.42Å; K215-L219 WeakPolarHBondContact O-CG 3.44Å; K215-L219 PolarHBondContact O-N 3.46Å |
| 216 | E | 92.2 | Very high | 87.4 | Confident | 123 Ų | 123 | 81.1 Ų | 81.1 | 58% | 0.575 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -60.6 | -44.2 | 175.3 | -71.5 | 163.7 | -167.2 | 0 | 0 | 111.9 | S212 R213 L214 L219 S220 | S212-E216 WeakPolarHBondContact O-CG 3.45Å; S212-E216 PolarHBondContact O-N 3.02Å; R213-E216 PolarHBondContact O-N 3.38Å; L214-E216 VanDerWaalsContact C-N 3.35Å; E216-L219 PolarHBondContact O-N 3.45Å; E216-S220 PolarHBondContact O-N 3.21Å |
| 217 | L | 88.6 | Confident | 86.5 | Confident | 30 Ų | 30 | 83 Ų | 83 | 16% | 0.157 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -66.3 | -37 | 176 | -70.9 | 177.5 | 0 | 0 | 0 | 113.2 | R213 L214 L219 S220 L221 M237 A238 I241 | R213-L217 WeakPolarHBondContact O-CG 3.39Å; R213-L217 PolarHBondContact O-N 3.37Å; L214-L217 PolarHBondContact O-N 2.89Å; L217-L219 VanDerWaalsContact C-N 3.3Å; L217-L219 PolarHBondContact O-N 2.83Å; L217-S220 WeakPolarHBondContact CA-OG 3.47Å; L217-S220 PolarHBondContact O-N 3.48Å; L217-S220 PolarHBondContact O-OG 3.36Å; L217-L221 WeakPolarHBondContact O-CB 3.45Å; L217-L221 WeakPolarHBondContact O-CD1 3.32Å; L217-L221 VanDerWaalsContact O-CG 3.27Å; L217-L221 WeakPolarHBondContact O-CG 3.45Å; L217-L221 PolarHBondContact O-N 2.88Å; L217-M237 HydrophobicContact CD1-CB 4.22Å; L217-M237 HydrophobicContact CD1-CG 3.75Å; L217-A238 HydrophobicContact CB-CB 4.24Å; L217-A238 HydrophobicContact CD1-CB 4.37Å; L217-I241 HydrophobicContact CD1-CD1 3.57Å; L217-I241 HydrophobicContact CD1-CG1 4.47Å |
| 218 | C | 87.6 | Confident | 85.3 | Confident | 57 Ų | 57 | 89.3 Ų | 89.3 | 39% | 0.385 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63.9 | -38.6 | 173.7 | -72.5 | 0 | 0 | 0 | 0 | 111.4 | L214 K215 Q222 | L214-C218 PolarHBondContact O-N 3.22Å; L214-C218 PolarHBondContact O-SG 3.44Å; K215-C218 PolarHBondContact O-N 3.42Å; C218-Q222 WeakPolarHBondContact O-CG 3.2Å; C218-Q222 PolarHBondContact O-N 3.33Å |
| 219 | L | 88.6 | Confident | 84.3 | Confident | 79 Ų | 79 | 91 Ų | 91 | 41% | 0.414 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -66.7 | -45.3 | 173.8 | -69.1 | 170.5 | 0 | 0 | 0 | 110.8 | K215 E216 L217 L221 Q222 H223 | K215-L219 WeakPolarHBondContact O-CG 3.44Å; K215-L219 PolarHBondContact O-N 3.46Å; E216-L219 PolarHBondContact O-N 3.45Å; L217-L219 VanDerWaalsContact C-N 3.3Å; L217-L219 PolarHBondContact O-N 2.83Å; L219-L221 VanDerWaalsContact C-N 3.32Å; L219-L221 PolarHBondContact O-N 3.36Å; L219-Q222 WeakPolarHBondContact O-CB 3.47Å; L219-Q222 PolarHBondContact O-N 2.93Å; L219-Q222 VanDerWaalsContact O-N 3.13Å; L219-H223 PolarHBondContact O-N 3.19Å; L219-H223 PolarHBondContact O-ND1 3.02Å |
| 220 | S | 84.5 | Confident | 83.3 | Confident | 38 Ų | 38 | 86.7 Ų | 86.7 | 27% | 0.266 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -63.2 | -37.2 | 178.5 | 68 | 0 | 0 | 0 | 0 | 112.8 | E216 L217 Q222 H223 N224 | E216-S220 PolarHBondContact O-N 3.21Å; L217-S220 WeakPolarHBondContact CA-OG 3.47Å; L217-S220 PolarHBondContact O-N 3.48Å; L217-S220 PolarHBondContact O-OG 3.36Å; S220-Q222 VanDerWaalsContact C-N 3.29Å; S220-Q222 PolarHBondContact O-N 2.76Å; S220-H223 PolarHBondContact O-N 3.03Å; S220-H223 VanDerWaalsContact O-N 3.17Å; S220-N224 PolarHBondContact O-N 3.14Å; S220-N224 VanDerWaalsContact O-N 3.08Å; S220-N224 PolarHBondContact O-ND2 3.5Å |
| 221 | L | 84.9 | Confident | 82.8 | Confident | 19 Ų | 19 | 89.9 Ų | 89.9 | 10% | 0.099 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -63.6 | -31.4 | 174.3 | -78.9 | 165.9 | 0 | 0 | 0 | 113.4 | L217 L219 H223 W231 Y235 A238 | L217-L221 WeakPolarHBondContact O-CB 3.45Å; L217-L221 WeakPolarHBondContact O-CD1 3.32Å; L217-L221 VanDerWaalsContact O-CG 3.27Å; L217-L221 WeakPolarHBondContact O-CG 3.45Å; L217-L221 PolarHBondContact O-N 2.88Å; L219-L221 VanDerWaalsContact C-N 3.32Å; L219-L221 PolarHBondContact O-N 3.36Å; L221-H223 VanDerWaalsContact C-N 3.34Å; L221-W231 HydrophobicContact CD2-CD2 4.2Å; L221-W231 HydrophobicContact CD2-CG 4.07Å; L221-W231 WeakPolarHBondContact CD2-O 3.36Å; L221-W231 PolarHBondContact O-NE1 3.2Å; L221-Y235 HydrophobicContact CD1-CD2 4.45Å; L221-A238 HydrophobicContact CD1-CB 3.92Å |
| 222 | Q | 83.8 | Confident | 82.3 | Confident | 129 Ų | 129 | 88.4 Ų | 88.4 | 60% | 0.603 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -71.6 | -29.3 | 174.6 | -73 | 172.7 | -1.5 | 0 | 0 | 112.5 | C218 L219 S220 | C218-Q222 WeakPolarHBondContact O-CG 3.2Å; C218-Q222 PolarHBondContact O-N 3.33Å; L219-Q222 WeakPolarHBondContact O-CB 3.47Å; L219-Q222 PolarHBondContact O-N 2.93Å; L219-Q222 VanDerWaalsContact O-N 3.13Å; S220-Q222 VanDerWaalsContact C-N 3.29Å; S220-Q222 PolarHBondContact O-N 2.76Å |
| 223 | H | 79.7 | Confident | 81.7 | Confident | 147 Ų | 147 | 91.6 Ų | 91.6 | 68% | 0.681 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -89.7 | -22.3 | -177.1 | -66.6 | 73.8 | 0 | 0 | 0 | 113 | L219 S220 L221 | L219-H223 PolarHBondContact O-N 3.19Å; L219-H223 PolarHBondContact O-ND1 3.02Å; S220-H223 PolarHBondContact O-N 3.03Å; S220-H223 VanDerWaalsContact O-N 3.17Å; L221-H223 VanDerWaalsContact C-N 3.34Å |
| 224 | N | 74.1 | Confident | 81.2 | Confident | 75 Ų | 75 | 86.7 Ų | 86.7 | 40% | 0.401 | 45% | 0.449 | S | S | . | . | trans | -106.4 | 47.1 | -174.6 | -67.8 | -29.9 | 0 | 0 | 0 | 114.1 | S220 H226 W231 | S220-N224 PolarHBondContact O-N 3.14Å; S220-N224 VanDerWaalsContact O-N 3.08Å; S220-N224 PolarHBondContact O-ND2 3.5Å; N224-H226 PolarHBondContact O-N 3.41Å; N224-H226 VanDerWaalsContact O-N 3.16Å; N224-W231 VanDerWaalsContact O-CD1 3.29Å | ||
| 225 | L | 73.8 | Confident | 81 | Confident | 112 Ų | 112 | 90.5 Ų | 90.5 | 59% | 0.586 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -0.8 | -176.7 | -72.3 | 165.1 | 0 | 0 | 0 | 115.3 | ||
| 226 | H | 67 | Low | 80.7 | Confident | 181 Ų | 181 | 90.1 Ų | 90.1 | 84% | 0.838 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118 | -5.3 | -169.1 | -59.4 | -19.3 | 0 | 0 | 0 | 114.2 | N224 | N224-H226 PolarHBondContact O-N 3.41Å; N224-H226 VanDerWaalsContact O-N 3.16Å |
| 227 | S | 71.6 | Confident | 80.6 | Confident | 50 Ų | 50 | 87.9 Ų | 87.9 | 35% | 0.35 | 45% | 0.453 | S | S | . | . | trans | -111.9 | 97.2 | 176.7 | -63.2 | 0 | 0 | 0 | 0 | 110 | S229 D230 W231 | S227-S229 VanDerWaalsContact C-N 3.28Å; S227-S229 PolarHBondContact O-N 3.14Å; S227-D230 PolarHBondContact O-N 3.1Å; S227-W231 WeakPolarHBondContact O-CB 3.47Å; S227-W231 PolarHBondContact O-N 3.49Å | ||
| 228 | D | 68.1 | Low | 80.6 | Confident | 137 Ų | 137 | 86.8 Ų | 86.8 | 73% | 0.733 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -60.7 | -32.7 | -174.4 | -77.8 | -18 | 0 | 0 | 0 | 113.8 | S232 | D228-S232 VanDerWaalsContact O-CB 3.29Å; D228-S232 WeakPolarHBondContact O-CB 3.28Å; D228-S232 PolarHBondContact O-N 3.36Å; D228-S232 PolarHBondContact O-OG 3.5Å |
| 229 | S | 71.3 | Confident | 80.8 | Confident | 84 Ų | 84 | 86.4 Ų | 86.4 | 59% | 0.587 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -70.4 | -50.8 | 177.2 | 54.7 | 0 | 0 | 0 | 0 | 112.4 | S227 W231 S232 E233 | S227-S229 VanDerWaalsContact C-N 3.28Å; S227-S229 PolarHBondContact O-N 3.14Å; S229-W231 VanDerWaalsContact C-N 3.32Å; S229-W231 PolarHBondContact O-N 3.45Å; S229-S232 PolarHBondContact O-N 2.9Å; S229-E233 PolarHBondContact O-N 2.93Å |
| 230 | D | 73.8 | Confident | 81 | Confident | 79 Ų | 79 | 86.9 Ų | 86.9 | 42% | 0.422 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -73.5 | -31.3 | -173.8 | -54.4 | -14.5 | 0 | 0 | 0 | 110.9 | S227 S234 | S227-D230 PolarHBondContact O-N 3.1Å; D230-S234 WeakPolarHBondContact O-CB 3.46Å; D230-S234 PolarHBondContact O-N 3.39Å; D230-S234 PolarHBondContact O-OG 3.44Å |
| 231 | W | 82.3 | Confident | 81.4 | Confident | 90 Ų | 90 | 85.2 Ų | 85.2 | 34% | 0.341 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -67.2 | -43.9 | 172.9 | -165.4 | 91.9 | 0 | 0 | 0 | 111.1 | L221 N224 S227 S229 Y235 | L221-W231 HydrophobicContact CD2-CD2 4.2Å; L221-W231 HydrophobicContact CD2-CG 4.07Å; L221-W231 WeakPolarHBondContact CD2-O 3.36Å; L221-W231 PolarHBondContact O-NE1 3.2Å; N224-W231 VanDerWaalsContact O-CD1 3.29Å; S227-W231 WeakPolarHBondContact O-CB 3.47Å; S227-W231 PolarHBondContact O-N 3.49Å; S229-W231 VanDerWaalsContact C-N 3.32Å; S229-W231 PolarHBondContact O-N 3.45Å; W231-Y235 HydrophobicContact CH2-CD2 4.28Å; W231-Y235 HydrophobicContact CH2-CG 4.41Å; W231-Y235 HydrophobicContact CZ3-CG 4.25Å; W231-Y235 WeakPolarHBondContact O-CB 3.44Å; W231-Y235 PolarHBondContact O-N 3.32Å |
| 232 | S | 82.5 | Confident | 81.7 | Confident | 56 Ų | 56 | 89.9 Ų | 89.9 | 39% | 0.392 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -64 | -44.2 | 177.8 | -63.3 | 0 | 0 | 0 | 0 | 112.5 | D228 S229 Y235 Q236 | D228-S232 VanDerWaalsContact O-CB 3.29Å; D228-S232 WeakPolarHBondContact O-CB 3.28Å; D228-S232 PolarHBondContact O-N 3.36Å; D228-S232 PolarHBondContact O-OG 3.5Å; S229-S232 PolarHBondContact O-N 2.9Å; S232-Y235 PolarHBondContact O-N 3.28Å; S232-Q236 VanDerWaalsContact O-CG 3.31Å; S232-Q236 WeakPolarHBondContact O-CG 3.24Å; S232-Q236 PolarHBondContact O-N 2.97Å |
| 233 | E | 82.4 | Confident | 82.2 | Confident | 131 Ų | 131 | 91.5 Ų | 91.5 | 61% | 0.612 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -66.6 | -45.9 | 177.4 | -172.3 | 179.2 | 178.9 | 0 | 0 | 111.8 | S229 Y235 Q236 M237 | S229-E233 PolarHBondContact O-N 2.93Å; E233-Y235 VanDerWaalsContact C-N 3.28Å; E233-Y235 PolarHBondContact O-N 3.41Å; E233-Q236 PolarHBondContact O-N 2.92Å; E233-M237 WeakPolarHBondContact O-CB 3.44Å; E233-M237 PolarHBondContact O-N 2.98Å |
| 234 | S | 83.1 | Confident | 82.7 | Confident | 29 Ų | 29 | 88.1 Ų | 88.1 | 20% | 0.203 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -63 | -35.2 | 176.9 | -62.7 | 0 | 0 | 0 | 0 | 112.2 | D230 M237 A238 | D230-S234 WeakPolarHBondContact O-CB 3.46Å; D230-S234 PolarHBondContact O-N 3.39Å; D230-S234 PolarHBondContact O-OG 3.44Å; S234-M237 PolarHBondContact O-N 3.11Å; S234-A238 WeakPolarHBondContact O-CB 3.37Å; S234-A238 PolarHBondContact O-N 2.87Å |
| 235 | Y | 87.4 | Confident | 83.5 | Confident | 108 Ų | 108 | 85.1 Ų | 85.1 | 42% | 0.424 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -69.6 | -43.9 | 176.9 | -179.2 | -107.6 | 0 | 0 | 0 | 111.5 | L221 W231 S232 E233 M237 A238 L239 | L221-Y235 HydrophobicContact CD1-CD2 4.45Å; W231-Y235 HydrophobicContact CH2-CD2 4.28Å; W231-Y235 HydrophobicContact CH2-CG 4.41Å; W231-Y235 HydrophobicContact CZ3-CG 4.25Å; W231-Y235 WeakPolarHBondContact O-CB 3.44Å; W231-Y235 PolarHBondContact O-N 3.32Å; S232-Y235 PolarHBondContact O-N 3.28Å; E233-Y235 VanDerWaalsContact C-N 3.28Å; E233-Y235 PolarHBondContact O-N 3.41Å; Y235-M237 VanDerWaalsContact C-N 3.33Å; Y235-M237 PolarHBondContact O-N 3.02Å; Y235-A238 PolarHBondContact O-N 3.03Å; Y235-L239 HydrophobicContact CD1-CD1 4.05Å; Y235-L239 HydrophobicContact CD1-CG 4.46Å; Y235-L239 HydrophobicContact CE1-CD1 3.53Å; Y235-L239 HydrophobicContact CE1-CG 4.13Å; Y235-L239 HydrophobicContact CE2-CG 4.48Å; Y235-L239 WeakPolarHBondContact O-CG 3.38Å; Y235-L239 PolarHBondContact O-N 3.18Å |
| 236 | Q | 88.4 | Confident | 84.4 | Confident | 138 Ų | 138 | 85.5 Ų | 85.5 | 65% | 0.645 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -61.4 | -41.6 | 174.1 | -72.7 | 178.3 | 11.6 | 0 | 0 | 111.7 | S232 E233 L239 H240 | S232-Q236 VanDerWaalsContact O-CG 3.31Å; S232-Q236 WeakPolarHBondContact O-CG 3.24Å; S232-Q236 PolarHBondContact O-N 2.97Å; E233-Q236 PolarHBondContact O-N 2.92Å; Q236-L239 PolarHBondContact O-N 2.98Å; Q236-H240 PolarHBondContact O-N 3.38Å |
| 237 | M | 88.4 | Confident | 85.4 | Confident | 76 Ų | 76 | 79 Ų | 79 | 37% | 0.374 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63.6 | -42.9 | 175.1 | -169.9 | 65.8 | 64.1 | 0 | 0 | 111.9 | L217 E233 S234 Y235 L239 H240 I241 | L217-M237 HydrophobicContact CD1-CB 4.22Å; L217-M237 HydrophobicContact CD1-CG 3.75Å; E233-M237 WeakPolarHBondContact O-CB 3.44Å; E233-M237 PolarHBondContact O-N 2.98Å; S234-M237 PolarHBondContact O-N 3.11Å; Y235-M237 VanDerWaalsContact C-N 3.33Å; Y235-M237 PolarHBondContact O-N 3.02Å; M237-L239 PolarHBondContact O-N 3.38Å; M237-H240 WeakPolarHBondContact O-CB 3.34Å; M237-H240 PolarHBondContact O-N 3.01Å; M237-I241 HydrophobicContact CG-CD1 4.5Å; M237-I241 WeakPolarHBondContact O-CG1 3.29Å; M237-I241 PolarHBondContact O-N 3.35Å |
| 238 | A | 89.9 | Confident | 86.1 | Confident | 8 Ų | 8 | 80.6 Ų | 80.6 | 7% | 0.066 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -63.3 | -40.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L214 L217 L221 S234 Y235 H240 I241 K242 | L214-A238 HydrophobicContact CD1-CB 4.04Å; L214-A238 VanDerWaalsContact CD1-O 3.27Å; L214-A238 WeakPolarHBondContact CD1-O 3.33Å; L217-A238 HydrophobicContact CB-CB 4.24Å; L217-A238 HydrophobicContact CD1-CB 4.37Å; L221-A238 HydrophobicContact CD1-CB 3.92Å; S234-A238 WeakPolarHBondContact O-CB 3.37Å; S234-A238 PolarHBondContact O-N 2.87Å; Y235-A238 PolarHBondContact O-N 3.03Å; A238-H240 VanDerWaalsContact C-N 3.34Å; A238-I241 PolarHBondContact O-N 2.87Å; A238-K242 VanDerWaalsContact O-CB 3.25Å; A238-K242 WeakPolarHBondContact O-CB 3.4Å; A238-K242 PolarHBondContact O-N 2.99Å |
| 239 | L | 91.1 | Very high | 87.1 | Confident | 48 Ų | 48 | 77 Ų | 77 | 25% | 0.251 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.7 | -39.3 | 173.7 | -71.5 | -177.2 | 0 | 0 | 0 | 112.1 | Y235 Q236 M237 K242 R243 | Y235-L239 HydrophobicContact CD1-CD1 4.05Å; Y235-L239 HydrophobicContact CD1-CG 4.46Å; Y235-L239 HydrophobicContact CE1-CD1 3.53Å; Y235-L239 HydrophobicContact CE1-CG 4.13Å; Y235-L239 HydrophobicContact CE2-CG 4.48Å; Y235-L239 WeakPolarHBondContact O-CG 3.38Å; Y235-L239 PolarHBondContact O-N 3.18Å; Q236-L239 PolarHBondContact O-N 2.98Å; M237-L239 PolarHBondContact O-N 3.38Å; L239-K242 PolarHBondContact O-N 3.3Å; L239-R243 WeakPolarHBondContact O-CG 3.44Å; L239-R243 PolarHBondContact O-N 3.15Å |
| 240 | H | 92.4 | Very high | 87.8 | Confident | 90 Ų | 90 | 79.8 Ų | 79.8 | 42% | 0.417 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.2 | -52.6 | 175.3 | -178.7 | -91.3 | 0 | 0 | 0 | 111.4 | Q236 M237 A238 K242 R243 E244 | Q236-H240 PolarHBondContact O-N 3.38Å; M237-H240 WeakPolarHBondContact O-CB 3.34Å; M237-H240 PolarHBondContact O-N 3.01Å; A238-H240 VanDerWaalsContact C-N 3.34Å; H240-K242 VanDerWaalsContact C-N 3.28Å; H240-K242 PolarHBondContact O-N 3.42Å; H240-R243 WeakPolarHBondContact O-CB 3.47Å; H240-R243 PolarHBondContact O-N 2.94Å; H240-R243 VanDerWaalsContact O-N 3.07Å; H240-E244 IonicContact CE1-OE1 3.17Å; H240-E244 PolarHBondContact CE1-OE1 3.45Å; H240-E244 IonicContact CE1-OE2 3.92Å; H240-E244 IonicContact ND1-OE1 3.99Å; H240-E244 IonicContact NE2-OE1 3.96Å; H240-E244 PolarHBondContact O-N 3.45Å |
| 241 | I | 92.3 | Very high | 88.3 | Confident | 2 Ų | 2 | 82.7 Ų | 82.7 | 1% | 0.01 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -62.1 | -37.4 | 178.6 | -62.8 | -175.7 | 0 | 0 | 0 | 111 | L210 R213 L214 L217 M237 A238 R243 E244 V245 | L210-I241 HydrophobicContact CB-CG2 4.25Å; L210-I241 HydrophobicContact CD2-CG2 4.43Å; L210-I241 WeakPolarHBondContact O-CG2 3.32Å; R213-I241 HydrophobicContact CB-CD1 4.32Å; R213-I241 HydrophobicContact CG-CD1 3.69Å; L214-I241 HydrophobicContact CB-CG2 3.83Å; L214-I241 HydrophobicContact CD1-CB 4.37Å; L214-I241 HydrophobicContact CD1-CG2 4.43Å; L217-I241 HydrophobicContact CD1-CD1 3.57Å; L217-I241 HydrophobicContact CD1-CG1 4.47Å; M237-I241 HydrophobicContact CG-CD1 4.5Å; M237-I241 WeakPolarHBondContact O-CG1 3.29Å; M237-I241 PolarHBondContact O-N 3.35Å; A238-I241 PolarHBondContact O-N 2.87Å; I241-R243 VanDerWaalsContact C-N 3.34Å; I241-R243 PolarHBondContact O-N 3.35Å; I241-E244 PolarHBondContact O-N 3.06Å; I241-V245 HydrophobicContact CG2-CG2 4.18Å; I241-V245 WeakPolarHBondContact O-CB 3.42Å; I241-V245 VanDerWaalsContact O-CG2 3.29Å; I241-V245 WeakPolarHBondContact O-CG2 3.05Å; I241-V245 PolarHBondContact O-N 2.93Å |
| 242 | K | 92.3 | Very high | 88.3 | Confident | 117 Ų | 117 | 79.2 Ų | 79.2 | 51% | 0.509 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -58.1 | -45 | 173.5 | -179.3 | -177.5 | 176.5 | -178.2 | 0 | 111.7 | L214 A238 L239 H240 V245 Q246 | L214-K242 HydrophobicContact CD1-CB 4.4Å; L214-K242 HydrophobicContact CD2-CB 4.18Å; A238-K242 VanDerWaalsContact O-CB 3.25Å; A238-K242 WeakPolarHBondContact O-CB 3.4Å; A238-K242 PolarHBondContact O-N 2.99Å; L239-K242 PolarHBondContact O-N 3.3Å; H240-K242 VanDerWaalsContact C-N 3.28Å; H240-K242 PolarHBondContact O-N 3.42Å; K242-V245 PolarHBondContact O-N 3.49Å; K242-Q246 WeakPolarHBondContact O-CB 3.47Å; K242-Q246 PolarHBondContact O-N 3.4Å |
| 243 | R | 93.4 | Very high | 88.4 | Confident | 163 Ų | 163 | 81.2 Ų | 81.2 | 62% | 0.615 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -64.5 | -41.8 | 176.6 | -69.3 | 171.7 | -166.9 | 153.1 | 3.6 | 111.5 | L239 H240 I241 Q246 A247 | L239-R243 WeakPolarHBondContact O-CG 3.44Å; L239-R243 PolarHBondContact O-N 3.15Å; H240-R243 WeakPolarHBondContact O-CB 3.47Å; H240-R243 PolarHBondContact O-N 2.94Å; H240-R243 VanDerWaalsContact O-N 3.07Å; I241-R243 VanDerWaalsContact C-N 3.34Å; I241-R243 PolarHBondContact O-N 3.35Å; R243-Q246 PolarHBondContact O-N 3.49Å; R243-A247 WeakPolarHBondContact O-CB 3.46Å; R243-A247 PolarHBondContact O-N 3.27Å |
| 244 | E | 91.6 | Very high | 88.6 | Confident | 76 Ų | 76 | 78 Ų | 78 | 36% | 0.355 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.6 | -42.4 | 176.8 | -69.6 | -166.9 | 142.7 | 0 | 0 | 112.8 | L210 H240 I241 A247 K248 | L210-E244 HydrophobicContact CD1-CB 4.19Å; H240-E244 IonicContact CE1-OE1 3.17Å; H240-E244 PolarHBondContact CE1-OE1 3.45Å; H240-E244 IonicContact CE1-OE2 3.92Å; H240-E244 IonicContact ND1-OE1 3.99Å; H240-E244 IonicContact NE2-OE1 3.96Å; H240-E244 PolarHBondContact O-N 3.45Å; I241-E244 PolarHBondContact O-N 3.06Å; E244-A247 PolarHBondContact O-N 3.33Å; E244-K248 WeakPolarHBondContact O-CG 3.31Å; E244-K248 PolarHBondContact O-N 3.41Å |
| 245 | V | 91.3 | Very high | 88.4 | Confident | 13 Ų | 13 | 80.2 Ų | 80.2 | 8% | 0.079 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -61 | -48.4 | 174 | 166.8 | 0 | 0 | 0 | 0 | 109.9 | L210 L211 I241 K242 A247 K248 V249 | L210-V245 HydrophobicContact CB-CG2 3.58Å; L211-V245 HydrophobicContact CD2-CG1 3.55Å; L211-V245 HydrophobicContact CD2-CG2 4.3Å; L211-V245 HydrophobicContact CG-CG1 3.86Å; L211-V245 HydrophobicContact CG-CG2 4.23Å; I241-V245 HydrophobicContact CG2-CG2 4.18Å; I241-V245 WeakPolarHBondContact O-CB 3.42Å; I241-V245 VanDerWaalsContact O-CG2 3.29Å; I241-V245 WeakPolarHBondContact O-CG2 3.05Å; I241-V245 PolarHBondContact O-N 2.93Å; K242-V245 PolarHBondContact O-N 3.49Å; V245-A247 VanDerWaalsContact C-N 3.32Å; V245-A247 PolarHBondContact O-N 3.38Å; V245-K248 PolarHBondContact O-N 3.06Å; V245-V249 HydrophobicContact CG1-CG2 4.18Å; V245-V249 WeakPolarHBondContact O-CB 3.02Å; V245-V249 VanDerWaalsContact O-CG2 3.28Å; V245-V249 WeakPolarHBondContact O-CG2 3.35Å; V245-V249 PolarHBondContact O-N 2.92Å |
| 246 | Q | 91.3 | Very high | 88.1 | Confident | 120 Ų | 120 | 82.3 Ų | 82.3 | 56% | 0.561 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -60.4 | -43 | 179.6 | -172.2 | 173.3 | -6.3 | 0 | 0 | 111.3 | K242 R243 V249 Q250 | K242-Q246 WeakPolarHBondContact O-CB 3.47Å; K242-Q246 PolarHBondContact O-N 3.4Å; R243-Q246 PolarHBondContact O-N 3.49Å; Q246-V249 PolarHBondContact O-N 3.29Å; Q246-Q250 VanDerWaalsContact O-CB 3.27Å; Q246-Q250 WeakPolarHBondContact O-CB 3.33Å; Q246-Q250 PolarHBondContact O-N 2.86Å |
| 247 | A | 87.9 | Confident | 87.7 | Confident | 44 Ų | 44 | 76.8 Ų | 76.8 | 36% | 0.364 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.9 | -41.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | R243 E244 V245 K251 | R243-A247 WeakPolarHBondContact O-CB 3.46Å; R243-A247 PolarHBondContact O-N 3.27Å; E244-A247 PolarHBondContact O-N 3.33Å; V245-A247 VanDerWaalsContact C-N 3.32Å; V245-A247 PolarHBondContact O-N 3.38Å; A247-K251 VanDerWaalsContact O-CG 3.29Å; A247-K251 WeakPolarHBondContact O-CG 3.28Å; A247-K251 PolarHBondContact O-N 3.06Å |
| 248 | K | 86.7 | Confident | 87.5 | Confident | 84 Ų | 84 | 75.9 Ų | 75.9 | 37% | 0.365 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -69.5 | -41.2 | 177.2 | -73.8 | -169.2 | -174.2 | -179.9 | 0 | 112.5 | A207 L210 E244 V245 K251 L252 | A207-K248 HydrophobicContact CB-CB 4.15Å; A207-K248 HydrophobicContact CB-CD 4.42Å; L210-K248 HydrophobicContact CD1-CD 3.9Å; E244-K248 WeakPolarHBondContact O-CG 3.31Å; E244-K248 PolarHBondContact O-N 3.41Å; V245-K248 PolarHBondContact O-N 3.06Å; K248-K251 PolarHBondContact O-N 2.78Å; K248-L252 VanDerWaalsContact O-CG 3.25Å; K248-L252 WeakPolarHBondContact O-CG 3.32Å; K248-L252 PolarHBondContact O-N 3.43Å |
| 249 | V | 88.3 | Confident | 87.4 | Confident | 61 Ų | 61 | 79.3 Ų | 79.3 | 37% | 0.37 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -65.3 | -42.3 | 177.2 | 171.2 | 0 | 0 | 0 | 0 | 110.6 | V245 Q246 K251 L252 T253 | V245-V249 HydrophobicContact CG1-CG2 4.18Å; V245-V249 WeakPolarHBondContact O-CB 3.02Å; V245-V249 VanDerWaalsContact O-CG2 3.28Å; V245-V249 WeakPolarHBondContact O-CG2 3.35Å; V245-V249 PolarHBondContact O-N 2.92Å; Q246-V249 PolarHBondContact O-N 3.29Å; V249-K251 VanDerWaalsContact C-N 3.28Å; V249-K251 PolarHBondContact O-N 3.34Å; V249-L252 PolarHBondContact O-N 2.92Å; V249-L252 VanDerWaalsContact O-N 3.11Å; V249-T253 WeakPolarHBondContact O-CB 3.26Å; V249-T253 PolarHBondContact O-N 3.42Å; V249-T253 PolarHBondContact O-OG1 2.87Å |
| 250 | Q | 87.1 | Confident | 87.2 | Confident | 143 Ų | 143 | 81 Ų | 81 | 67% | 0.668 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -62.2 | -37 | 177.2 | -168 | 169.7 | 7.8 | 0 | 0 | 112.1 | Q246 D254 | Q246-Q250 VanDerWaalsContact O-CB 3.27Å; Q246-Q250 WeakPolarHBondContact O-CB 3.33Å; Q246-Q250 PolarHBondContact O-N 2.86Å; Q250-D254 PolarHBondContact O-N 3.34Å |
| 251 | K | 83.6 | Confident | 87 | Confident | 140 Ų | 140 | 77.4 Ų | 77.4 | 61% | 0.609 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -68.4 | -35.6 | 172.5 | -70.7 | 177.1 | -178.9 | -171.5 | 0 | 113.2 | L194 A247 K248 V249 | L194-K251 HydrophobicContact CD1-CB 3.92Å; L194-K251 WeakPolarHBondContact CD1-O 3.3Å; A247-K251 VanDerWaalsContact O-CG 3.29Å; A247-K251 WeakPolarHBondContact O-CG 3.28Å; A247-K251 PolarHBondContact O-N 3.06Å; K248-K251 PolarHBondContact O-N 2.78Å; V249-K251 VanDerWaalsContact C-N 3.28Å; V249-K251 PolarHBondContact O-N 3.34Å |
| 252 | L | 83.6 | Confident | 86.8 | Confident | 16 Ų | 16 | 82.9 Ų | 82.9 | 8% | 0.084 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -76.4 | -27.9 | 178.3 | -71 | 169.1 | 0 | 0 | 0 | 113.3 | L194 F200 A203 L204 A207 K248 V249 D254 | L194-L252 HydrophobicContact CD2-CD2 4.41Å; F200-L252 HydrophobicContact CD2-CD2 3.74Å; F200-L252 HydrophobicContact CE2-CB 4.4Å; F200-L252 HydrophobicContact CE2-CD2 3.56Å; F200-L252 HydrophobicContact CG-CD2 4.32Å; F200-L252 HydrophobicContact CZ-CD2 3.99Å; A203-L252 HydrophobicContact CB-CD2 3.91Å; L204-L252 HydrophobicContact CD1-CD1 4.25Å; A207-L252 HydrophobicContact CB-CD1 4.04Å; K248-L252 VanDerWaalsContact O-CG 3.25Å; K248-L252 WeakPolarHBondContact O-CG 3.32Å; K248-L252 PolarHBondContact O-N 3.43Å; V249-L252 PolarHBondContact O-N 2.92Å; V249-L252 VanDerWaalsContact O-N 3.11Å; L252-D254 VanDerWaalsContact C-N 3.33Å |
| 253 | T | 84.8 | Confident | 86.8 | Confident | 98 Ų | 98 | 81.2 Ų | 81.2 | 60% | 0.601 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -90.7 | 3.8 | -178.7 | -52.2 | 0 | 0 | 0 | 0 | 112.7 | V249 S255 | V249-T253 WeakPolarHBondContact O-CB 3.26Å; V249-T253 PolarHBondContact O-N 3.42Å; V249-T253 PolarHBondContact O-OG1 2.87Å; T253-S255 PolarHBondContact O-N 3.33Å; T253-S255 VanDerWaalsContact O-N 3.09Å |
| 254 | D | 85.6 | Confident | 86.6 | Confident | 64 Ų | 64 | 77.2 Ų | 77.2 | 34% | 0.342 | 40% | 0.397 | S | S | . | . | trans | -59.4 | 114.3 | 172.3 | -176.8 | 6.5 | 0 | 0 | 0 | 110.4 | Q250 L252 Q256 N257 L258 | Q250-D254 PolarHBondContact O-N 3.34Å; L252-D254 VanDerWaalsContact C-N 3.33Å; D254-Q256 VanDerWaalsContact C-N 3.3Å; D254-Q256 PolarHBondContact O-N 2.9Å; D254-N257 HydrophobicContact CB-CB 4.39Å; D254-N257 PolarHBondContact O-N 3.19Å; D254-N257 PolarHBondContact OD2-ND2 3.46Å; D254-L258 WeakPolarHBondContact O-CB 3.43Å; D254-L258 PolarHBondContact O-N 3.33Å | ||
| 255 | S | 78.1 | Confident | 86.6 | Confident | 75 Ų | 75 | 76.8 Ų | 76.8 | 52% | 0.524 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60.8 | -38.2 | -166.9 | 55.7 | 0 | 0 | 0 | 0 | 112.5 | T253 L258 D259 | T253-S255 PolarHBondContact O-N 3.33Å; T253-S255 VanDerWaalsContact O-N 3.09Å; S255-L258 PolarHBondContact O-N 3.19Å; S255-D259 PolarHBondContact O-N 2.9Å |
| 256 | Q | 82.2 | Confident | 86.7 | Confident | 153 Ų | 153 | 78.5 Ų | 78.5 | 72% | 0.715 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -69.2 | -41 | -178.5 | -62.9 | -174.9 | -2.2 | 0 | 0 | 112.1 | D254 L260 | D254-Q256 VanDerWaalsContact C-N 3.3Å; D254-Q256 PolarHBondContact O-N 2.9Å; Q256-L260 WeakPolarHBondContact O-CB 3.5Å; Q256-L260 PolarHBondContact O-N 3.43Å; Q256-L260 VanDerWaalsContact O-N 3.17Å |
| 257 | N | 80.2 | Confident | 86.9 | Confident | 21 Ų | 21 | 80 Ų | 80 | 11% | 0.112 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -70.2 | -38.4 | 177.7 | -74.4 | -42 | 0 | 0 | 0 | 111.6 | S192 D254 L261 | S192-N257 WeakPolarHBondContact CB-OD1 3.32Å; D254-N257 HydrophobicContact CB-CB 4.39Å; D254-N257 PolarHBondContact O-N 3.19Å; D254-N257 PolarHBondContact OD2-ND2 3.46Å; N257-L261 WeakPolarHBondContact O-CB 3.49Å; N257-L261 PolarHBondContact O-N 3.11Å |
| 258 | L | 84.6 | Confident | 87.1 | Confident | 57 Ų | 57 | 80.7 Ų | 80.7 | 30% | 0.298 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64.9 | -44.9 | 177.9 | -169.1 | 84.4 | 0 | 0 | 0 | 112 | F200 D254 S255 L261 K262 | F200-L258 HydrophobicContact CE2-CD1 4.42Å; F200-L258 HydrophobicContact CZ-CD1 4.01Å; D254-L258 WeakPolarHBondContact O-CB 3.43Å; D254-L258 PolarHBondContact O-N 3.33Å; S255-L258 PolarHBondContact O-N 3.19Å; L258-L261 WeakPolarHBondContact O-CB 3.3Å; L258-L261 PolarHBondContact O-N 2.95Å; L258-K262 WeakPolarHBondContact O-CG 3.41Å; L258-K262 PolarHBondContact O-N 2.97Å |
| 259 | D | 86.3 | Confident | 87.5 | Confident | 80 Ų | 80 | 79.4 Ų | 79.4 | 43% | 0.428 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -70.7 | -38.9 | -178.9 | -69.3 | -25.1 | 0 | 0 | 0 | 111.9 | S255 L261 K262 V263 | S255-D259 PolarHBondContact O-N 2.9Å; D259-L261 PolarHBondContact O-N 3.11Å; D259-K262 PolarHBondContact O-N 3.08Å; D259-K262 IonicContact OD1-NZ 3.59Å; D259-K262 PolarHBondContact OD1-NZ 3.49Å; D259-V263 WeakPolarHBondContact O-CG2 3.23Å; D259-V263 PolarHBondContact O-N 2.92Å; D259-V263 VanDerWaalsContact O-N 3.08Å |
| 260 | L | 87.9 | Confident | 87.9 | Confident | 84 Ų | 84 | 81.5 Ų | 81.5 | 44% | 0.44 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -58.4 | -39.8 | 170.4 | -178.7 | 63.6 | 0 | 0 | 0 | 111.6 | Q256 K264 | Q256-L260 WeakPolarHBondContact O-CB 3.5Å; Q256-L260 PolarHBondContact O-N 3.43Å; Q256-L260 VanDerWaalsContact O-N 3.17Å; L260-K264 WeakPolarHBondContact O-CG 3.17Å; L260-K264 PolarHBondContact O-N 3.34Å; L260-K264 VanDerWaalsContact O-N 3.1Å |
| 261 | L | 87.2 | Confident | 88.3 | Confident | 15 Ų | 15 | 82.5 Ų | 82.5 | 8% | 0.079 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -68.6 | -43.9 | 178.1 | -176.4 | 70.4 | 0 | 0 | 0 | 112.2 | V197 F200 N257 L258 D259 V263 K264 V265 | V197-L261 HydrophobicContact CB-CD1 4.05Å; V197-L261 HydrophobicContact CG1-CD1 4.5Å; V197-L261 HydrophobicContact CG2-CD1 3.55Å; F200-L261 HydrophobicContact CB-CD1 4.41Å; F200-L261 HydrophobicContact CB-CD2 3.85Å; F200-L261 HydrophobicContact CD1-CD2 3.24Å; F200-L261 HydrophobicContact CD2-CD2 3.62Å; F200-L261 HydrophobicContact CE1-CD2 3.55Å; F200-L261 HydrophobicContact CE2-CD2 3.89Å; F200-L261 HydrophobicContact CG-CD2 3.28Å; F200-L261 HydrophobicContact CZ-CD2 3.85Å; N257-L261 WeakPolarHBondContact O-CB 3.49Å; N257-L261 PolarHBondContact O-N 3.11Å; L258-L261 WeakPolarHBondContact O-CB 3.3Å; L258-L261 PolarHBondContact O-N 2.95Å; D259-L261 PolarHBondContact O-N 3.11Å; L261-V263 VanDerWaalsContact C-N 3.29Å; L261-V263 PolarHBondContact O-N 3.16Å; L261-K264 PolarHBondContact O-N 2.99Å; L261-K264 VanDerWaalsContact O-N 3.13Å; L261-V265 HydrophobicContact CD1-CG2 4.44Å; L261-V265 HydrophobicContact CG-CG2 4.38Å; L261-V265 WeakPolarHBondContact O-CG2 3.25Å; L261-V265 PolarHBondContact O-N 2.94Å |
| 262 | K | 89.5 | Confident | 88.9 | Confident | 116 Ų | 116 | 84.8 Ų | 84.8 | 50% | 0.504 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -55.3 | -46.1 | 175 | -73.5 | 172.1 | -167.9 | 157.3 | 0 | 111.1 | L258 D259 K264 V265 A266 | L258-K262 WeakPolarHBondContact O-CG 3.41Å; L258-K262 PolarHBondContact O-N 2.97Å; D259-K262 PolarHBondContact O-N 3.08Å; D259-K262 IonicContact OD1-NZ 3.59Å; D259-K262 PolarHBondContact OD1-NZ 3.49Å; K262-K264 PolarHBondContact O-N 3.37Å; K262-V265 PolarHBondContact O-N 3.11Å; K262-A266 WeakPolarHBondContact O-CB 3.44Å; K262-A266 PolarHBondContact O-N 3.42Å |
| 263 | V | 91.1 | Very high | 89.5 | Confident | 82 Ų | 82 | 85.7 Ų | 85.7 | 50% | 0.497 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -61.6 | -42.8 | 177.2 | 173.6 | 0 | 0 | 0 | 0 | 111.4 | D259 L261 R267 | D259-V263 WeakPolarHBondContact O-CG2 3.23Å; D259-V263 PolarHBondContact O-N 2.92Å; D259-V263 VanDerWaalsContact O-N 3.08Å; L261-V263 VanDerWaalsContact C-N 3.29Å; L261-V263 PolarHBondContact O-N 3.16Å; V263-R267 WeakPolarHBondContact O-CB 3.41Å; V263-R267 PolarHBondContact O-N 3.16Å |
| 264 | K | 90.4 | Very high | 90.1 | Very high | 79 Ų | 79 | 86.7 Ų | 86.7 | 34% | 0.343 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -64.3 | -43 | 176.7 | -74 | 179.1 | -176.8 | -178 | 0 | 112.2 | G195 V197 L260 L261 K262 R267 I268 | G195-K264 PolarHBondContact O-NZ 2.98Å; V197-K264 HydrophobicContact CG2-CB 4.31Å; L260-K264 WeakPolarHBondContact O-CG 3.17Å; L260-K264 PolarHBondContact O-N 3.34Å; L260-K264 VanDerWaalsContact O-N 3.1Å; L261-K264 PolarHBondContact O-N 2.99Å; L261-K264 VanDerWaalsContact O-N 3.13Å; K262-K264 PolarHBondContact O-N 3.37Å; K264-R267 PolarHBondContact O-N 2.97Å; K264-I268 WeakPolarHBondContact O-CD1 3.45Å; K264-I268 VanDerWaalsContact O-CG1 3.25Å; K264-I268 WeakPolarHBondContact O-CG1 3.44Å; K264-I268 PolarHBondContact O-N 3.16Å |
| 265 | V | 91.7 | Very high | 90.6 | Very high | 68 Ų | 68 | 85.6 Ų | 85.6 | 41% | 0.412 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -65.5 | -44.5 | 178.1 | 172.6 | 0 | 0 | 0 | 0 | 110.9 | V197 L261 K262 R267 I268 A269 | V197-V265 HydrophobicContact CG1-CG2 4.28Å; V197-V265 HydrophobicContact CG2-CG2 4.12Å; L261-V265 HydrophobicContact CD1-CG2 4.44Å; L261-V265 HydrophobicContact CG-CG2 4.38Å; L261-V265 WeakPolarHBondContact O-CG2 3.25Å; L261-V265 PolarHBondContact O-N 2.94Å; K262-V265 PolarHBondContact O-N 3.11Å; V265-R267 PolarHBondContact O-N 3.33Å; V265-I268 PolarHBondContact O-N 2.84Å; V265-A269 PolarHBondContact O-N 2.92Å |
| 266 | A | 93.8 | Very high | 91.5 | Very high | 49 Ų | 49 | 88 Ų | 88 | 41% | 0.405 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -58.4 | -46.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | K262 I268 A269 E270 | K262-A266 WeakPolarHBondContact O-CB 3.44Å; K262-A266 PolarHBondContact O-N 3.42Å; A266-I268 VanDerWaalsContact C-N 3.31Å; A266-I268 PolarHBondContact O-N 2.87Å; A266-A269 PolarHBondContact O-N 3.44Å; A266-A269 VanDerWaalsContact O-N 3.15Å; A266-E270 WeakPolarHBondContact O-CG 3.39Å; A266-E270 PolarHBondContact O-N 3.36Å |
| 267 | R | 94.6 | Very high | 92.2 | Very high | 150 Ų | 150 | 87.2 Ų | 87.2 | 57% | 0.566 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -60.6 | -38 | 176.4 | -172.7 | -179.3 | -69.4 | -178.6 | -1.9 | 112.8 | V263 K264 V265 R271 | V263-R267 WeakPolarHBondContact O-CB 3.41Å; V263-R267 PolarHBondContact O-N 3.16Å; K264-R267 PolarHBondContact O-N 2.97Å; V265-R267 PolarHBondContact O-N 3.33Å; R267-R271 WeakPolarHBondContact O-CB 3.49Å; R267-R271 PolarHBondContact O-N 2.86Å |
| 268 | I | 92.7 | Very high | 93 | Very high | 60 Ų | 60 | 89 Ų | 89 | 31% | 0.308 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -67.1 | -45.4 | 175 | -69.4 | 163.3 | 0 | 0 | 0 | 110.5 | V197 K264 V265 A266 R271 R272 | V197-I268 HydrophobicContact CG2-CD1 4.07Å; K264-I268 WeakPolarHBondContact O-CD1 3.45Å; K264-I268 VanDerWaalsContact O-CG1 3.25Å; K264-I268 WeakPolarHBondContact O-CG1 3.44Å; K264-I268 PolarHBondContact O-N 3.16Å; V265-I268 PolarHBondContact O-N 2.84Å; A266-I268 VanDerWaalsContact C-N 3.31Å; A266-I268 PolarHBondContact O-N 2.87Å; I268-R271 PolarHBondContact O-N 3.35Å; I268-R272 WeakPolarHBondContact O-CG 3.32Å; I268-R272 PolarHBondContact O-N 3.4Å |
| 269 | A | 94.8 | Very high | 93.6 | Very high | 56 Ų | 56 | 92.6 Ų | 92.6 | 46% | 0.463 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -61.4 | -46.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | V265 A266 R271 R272 A273 | V265-A269 PolarHBondContact O-N 2.92Å; A266-A269 PolarHBondContact O-N 3.44Å; A266-A269 VanDerWaalsContact O-N 3.15Å; A269-R271 PolarHBondContact O-N 3.23Å; A269-R272 PolarHBondContact O-N 2.88Å; A269-A273 WeakPolarHBondContact O-CB 3.32Å; A269-A273 PolarHBondContact O-N 3.31Å |
| 270 | E | 96.6 | Very high | 94.1 | Very high | 105 Ų | 105 | 95.4 Ų | 95.4 | 49% | 0.491 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.4 | -43.3 | 175.1 | -75.2 | -179.9 | -166.1 | 0 | 0 | 112.7 | A266 R272 A273 R274 | A266-E270 WeakPolarHBondContact O-CG 3.39Å; A266-E270 PolarHBondContact O-N 3.36Å; E270-R272 VanDerWaalsContact C-N 3.31Å; E270-R272 PolarHBondContact O-N 3.43Å; E270-A273 PolarHBondContact O-N 2.88Å; E270-R274 WeakPolarHBondContact O-CB 3.48Å; E270-R274 WeakPolarHBondContact O-CG 3.45Å; E270-R274 PolarHBondContact O-N 3.45Å; E270-R274 IonicContact OE2-NH1 2.94Å; E270-R274 PolarHBondContact OE2-NH1 3.3Å |
| 271 | R | 96 | Very high | 94.5 | Very high | 164 Ų | 164 | 96.2 Ų | 96.2 | 62% | 0.619 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -60.5 | -43.5 | 177.1 | -177.1 | -176.1 | -66.3 | 169.6 | -2.9 | 110.9 | R267 I268 A269 R274 G275 | R267-R271 WeakPolarHBondContact O-CB 3.49Å; R267-R271 PolarHBondContact O-N 2.86Å; I268-R271 PolarHBondContact O-N 3.35Å; A269-R271 PolarHBondContact O-N 3.23Å; R271-R274 PolarHBondContact O-N 2.97Å; R271-G275 PolarHBondContact O-N 3.35Å |
| 272 | R | 95.6 | Very high | 95 | Very high | 189 Ų | 189 | 103.3 Ų | 103.3 | 71% | 0.713 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.8 | -43.1 | 175.6 | -71.9 | 175.4 | -179.8 | -178.8 | 0.3 | 111.5 | I268 A269 E270 G275 L276 | I268-R272 WeakPolarHBondContact O-CG 3.32Å; I268-R272 PolarHBondContact O-N 3.4Å; A269-R272 PolarHBondContact O-N 2.88Å; E270-R272 VanDerWaalsContact C-N 3.31Å; E270-R272 PolarHBondContact O-N 3.43Å; R272-G275 PolarHBondContact O-N 3.35Å; R272-L276 WeakPolarHBondContact O-CB 3.25Å; R272-L276 PolarHBondContact O-N 3Å |
| 273 | A | 96.5 | Very high | 95.3 | Very high | 35 Ų | 35 | 102.6 Ų | 102.6 | 29% | 0.289 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.8 | -41.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A269 E270 L276 R277 | A269-A273 WeakPolarHBondContact O-CB 3.32Å; A269-A273 PolarHBondContact O-N 3.31Å; E270-A273 PolarHBondContact O-N 2.88Å; A273-L276 PolarHBondContact O-N 2.94Å; A273-R277 WeakPolarHBondContact O-CG 3.47Å; A273-R277 PolarHBondContact O-N 3.1Å |
| 274 | R | 96.6 | Very high | 95.6 | Very high | 118 Ų | 118 | 102.2 Ų | 102.2 | 45% | 0.445 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.9 | -46 | 172.3 | -74.9 | -170.5 | -66.1 | -93.2 | 0.4 | 111.7 | E270 R271 L276 R277 A278 | E270-R274 WeakPolarHBondContact O-CB 3.48Å; E270-R274 WeakPolarHBondContact O-CG 3.45Å; E270-R274 PolarHBondContact O-N 3.45Å; E270-R274 IonicContact OE2-NH1 2.94Å; E270-R274 PolarHBondContact OE2-NH1 3.3Å; R271-R274 PolarHBondContact O-N 2.97Å; R274-L276 VanDerWaalsContact C-N 3.33Å; R274-L276 PolarHBondContact O-N 3.18Å; R274-R277 PolarHBondContact O-N 2.85Å; R274-A278 WeakPolarHBondContact O-CB 3.27Å; R274-A278 PolarHBondContact O-N 3.31Å |
| 275 | G | 97 | Very high | 95.9 | Very high | 42 Ų | 42 | 104.9 Ų | 104.9 | 43% | 0.433 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.5 | -38.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | R271 R272 K279 | R271-G275 PolarHBondContact O-N 3.35Å; R272-G275 PolarHBondContact O-N 3.35Å; G275-K279 WeakPolarHBondContact O-CB 3.42Å; G275-K279 PolarHBondContact O-N 3.45Å |
| 276 | L | 96.9 | Very high | 96.1 | Very high | 126 Ų | 126 | 106.1 Ų | 106.1 | 66% | 0.66 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -67.5 | -42.2 | 176.5 | -171.3 | 65.7 | 0 | 0 | 0 | 112 | R272 A273 R274 K279 K280 | R272-L276 WeakPolarHBondContact O-CB 3.25Å; R272-L276 PolarHBondContact O-N 3Å; A273-L276 PolarHBondContact O-N 2.94Å; R274-L276 VanDerWaalsContact C-N 3.33Å; R274-L276 PolarHBondContact O-N 3.18Å; L276-K279 PolarHBondContact O-N 3.5Å; L276-K280 PolarHBondContact O-N 2.9Å |
| 277 | R | 96.8 | Very high | 96.3 | Very high | 136 Ų | 136 | 107.2 Ų | 107.2 | 51% | 0.513 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.7 | -52.8 | 173.8 | -74.4 | -172.3 | -67.4 | -90.7 | 7.7 | 111.3 | A273 R274 K279 K280 D281 | A273-R277 WeakPolarHBondContact O-CG 3.47Å; A273-R277 PolarHBondContact O-N 3.1Å; R274-R277 PolarHBondContact O-N 2.85Å; R277-K279 PolarHBondContact O-N 3.49Å; R277-K280 CarbonylContact O-C 3.3Å; R277-K280 WeakPolarHBondContact O-CA 3.43Å; R277-K280 WeakPolarHBondContact O-CB 3.45Å; R277-K280 PolarHBondContact O-N 2.94Å; R277-D281 PolarHBondContact O-N 2.95Å |
| 278 | A | 97.1 | Very high | 96.4 | Very high | 58 Ų | 58 | 104.3 Ų | 104.3 | 48% | 0.479 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -57.4 | -35.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | R274 R282 | R274-A278 WeakPolarHBondContact O-CB 3.27Å; R274-A278 PolarHBondContact O-N 3.31Å; A278-R282 VanDerWaalsContact O-CB 3.31Å; A278-R282 WeakPolarHBondContact O-CB 3.32Å; A278-R282 PolarHBondContact O-N 2.9Å |
| 279 | K | 96.9 | Very high | 96.6 | Very high | 132 Ų | 132 | 104.2 Ų | 104.2 | 57% | 0.574 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.1 | -43 | 173.8 | -174.8 | 177.9 | 178.6 | -178.7 | 0 | 111.9 | G275 L276 R277 Q283 | G275-K279 WeakPolarHBondContact O-CB 3.42Å; G275-K279 PolarHBondContact O-N 3.45Å; L276-K279 PolarHBondContact O-N 3.5Å; R277-K279 PolarHBondContact O-N 3.49Å; K279-Q283 WeakPolarHBondContact O-CG 3.21Å; K279-Q283 PolarHBondContact O-N 2.92Å |
| 280 | K | 97.1 | Very high | 96.7 | Very high | 139 Ų | 139 | 107.4 Ų | 107.4 | 60% | 0.604 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.6 | -45.1 | 176.4 | 179.3 | 172.9 | 175.7 | 165.8 | 0 | 111.1 | L276 R277 R282 Q283 V284 | L276-K280 PolarHBondContact O-N 2.9Å; R277-K280 CarbonylContact O-C 3.3Å; R277-K280 WeakPolarHBondContact O-CA 3.43Å; R277-K280 WeakPolarHBondContact O-CB 3.45Å; R277-K280 PolarHBondContact O-N 2.94Å; K280-R282 VanDerWaalsContact C-N 3.33Å; K280-R282 PolarHBondContact O-N 2.94Å; K280-Q283 WeakPolarHBondContact O-CB 3.31Å; K280-Q283 PolarHBondContact O-N 3.07Å; K280-Q283 VanDerWaalsContact O-N 3.11Å; K280-V284 WeakPolarHBondContact O-CG2 3.29Å; K280-V284 PolarHBondContact O-N 3.47Å |
| 281 | D | 95.6 | Very high | 96.7 | Very high | 101 Ų | 101 | 107.4 Ų | 107.4 | 54% | 0.54 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.2 | -44 | 179 | -58.5 | -23.7 | 0 | 0 | 0 | 110.5 | R277 Q283 V284 E285 | R277-D281 PolarHBondContact O-N 2.95Å; D281-Q283 VanDerWaalsContact C-N 3.32Å; D281-Q283 PolarHBondContact O-N 3.36Å; D281-V284 PolarHBondContact O-N 2.78Å; D281-E285 WeakPolarHBondContact O-CB 3.31Å; D281-E285 PolarHBondContact O-N 3.04Å |
| 282 | R | 96.8 | Very high | 96.8 | Very high | 164 Ų | 164 | 104.2 Ų | 104.2 | 62% | 0.619 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.4 | -36.2 | 174.2 | -174.1 | 174.9 | -179.9 | 166.8 | 3.4 | 113.2 | A278 K280 Q286 | A278-R282 VanDerWaalsContact O-CB 3.31Å; A278-R282 WeakPolarHBondContact O-CB 3.32Å; A278-R282 PolarHBondContact O-N 2.9Å; K280-R282 VanDerWaalsContact C-N 3.33Å; K280-R282 PolarHBondContact O-N 2.94Å; R282-Q286 WeakPolarHBondContact O-CB 3.24Å; R282-Q286 VanDerWaalsContact O-CG 3.24Å; R282-Q286 WeakPolarHBondContact O-CG 3.4Å; R282-Q286 PolarHBondContact O-N 3.38Å |
| 283 | Q | 96.9 | Very high | 96.7 | Very high | 102 Ų | 102 | 97.6 Ų | 97.6 | 48% | 0.477 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67 | -42.7 | 175.2 | -76.4 | 175.1 | -16.9 | 0 | 0 | 111.3 | K279 K280 D281 Q286 V287 | K279-Q283 WeakPolarHBondContact O-CG 3.21Å; K279-Q283 PolarHBondContact O-N 2.92Å; K280-Q283 WeakPolarHBondContact O-CB 3.31Å; K280-Q283 PolarHBondContact O-N 3.07Å; K280-Q283 VanDerWaalsContact O-N 3.11Å; D281-Q283 VanDerWaalsContact C-N 3.32Å; D281-Q283 PolarHBondContact O-N 3.36Å; Q283-Q286 PolarHBondContact O-N 2.86Å; Q283-V287 WeakPolarHBondContact O-CG2 3.47Å; Q283-V287 PolarHBondContact O-N 2.94Å |
| 284 | V | 96.6 | Very high | 96.7 | Very high | 74 Ų | 74 | 99.8 Ų | 99.8 | 45% | 0.448 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63 | -45 | 175.8 | 173.5 | 0 | 0 | 0 | 0 | 110.4 | K280 D281 Q286 V287 L288 | K280-V284 WeakPolarHBondContact O-CG2 3.29Å; K280-V284 PolarHBondContact O-N 3.47Å; D281-V284 PolarHBondContact O-N 2.78Å; V284-Q286 VanDerWaalsContact C-N 3.34Å; V284-Q286 PolarHBondContact O-N 3.21Å; V284-V287 PolarHBondContact O-N 3.31Å; V284-L288 HydrophobicContact CG1-CD1 3.92Å; V284-L288 HydrophobicContact CG1-CG 4.33Å; V284-L288 WeakPolarHBondContact O-CB 3.4Å; V284-L288 VanDerWaalsContact O-CG 3.3Å; V284-L288 WeakPolarHBondContact O-CG 3.43Å; V284-L288 PolarHBondContact O-N 3.32Å |
| 285 | E | 96.7 | Very high | 96.8 | Very high | 135 Ų | 135 | 100.3 Ų | 100.3 | 63% | 0.631 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.1 | -40.4 | 176.8 | -172.7 | 179.2 | -166.6 | 0 | 0 | 112.3 | D281 L288 A289 | D281-E285 WeakPolarHBondContact O-CB 3.31Å; D281-E285 PolarHBondContact O-N 3.04Å; E285-L288 PolarHBondContact O-N 3.07Å; E285-A289 VanDerWaalsContact O-CB 3.28Å; E285-A289 WeakPolarHBondContact O-CB 3.45Å; E285-A289 PolarHBondContact O-N 2.94Å |
| 286 | Q | 97.3 | Very high | 96.7 | Very high | 94 Ų | 94 | 105 Ų | 105 | 44% | 0.439 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.1 | -47.3 | 174.3 | -78.4 | 174.7 | -13.8 | 0 | 0 | 112.1 | R282 Q283 V284 L288 A289 E290 | R282-Q286 WeakPolarHBondContact O-CB 3.24Å; R282-Q286 VanDerWaalsContact O-CG 3.24Å; R282-Q286 WeakPolarHBondContact O-CG 3.4Å; R282-Q286 PolarHBondContact O-N 3.38Å; Q283-Q286 PolarHBondContact O-N 2.86Å; V284-Q286 VanDerWaalsContact C-N 3.34Å; V284-Q286 PolarHBondContact O-N 3.21Å; Q286-L288 PolarHBondContact O-N 3.26Å; Q286-A289 PolarHBondContact O-N 3.35Å; Q286-E290 WeakPolarHBondContact O-CB 3.39Å; Q286-E290 VanDerWaalsContact O-CG 3.31Å; Q286-E290 WeakPolarHBondContact O-CG 3.3Å; Q286-E290 PolarHBondContact O-N 3.03Å |
| 287 | V | 97.6 | Very high | 96.7 | Very high | 71 Ų | 71 | 104.1 Ų | 104.1 | 43% | 0.43 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62 | -44.8 | 177.7 | 172 | 0 | 0 | 0 | 0 | 110.8 | Q283 V284 A289 E290 E291 | Q283-V287 WeakPolarHBondContact O-CG2 3.47Å; Q283-V287 PolarHBondContact O-N 2.94Å; V284-V287 PolarHBondContact O-N 3.31Å; V287-A289 VanDerWaalsContact C-N 3.34Å; V287-A289 PolarHBondContact O-N 3.49Å; V287-E290 WeakPolarHBondContact O-CB 3.41Å; V287-E290 PolarHBondContact O-N 3.31Å; V287-E291 HydrophobicContact CG1-CG 4.45Å; V287-E291 WeakPolarHBondContact O-CB 3.2Å; V287-E291 WeakPolarHBondContact O-CG 3.4Å; V287-E291 PolarHBondContact O-N 2.89Å |
| 288 | L | 97.4 | Very high | 96.8 | Very high | 90 Ų | 90 | 99.6 Ų | 99.6 | 47% | 0.471 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.3 | -40.8 | 176.2 | -70.3 | 172.7 | 0 | 0 | 0 | 111.9 | V284 E285 Q286 E291 L292 | V284-L288 HydrophobicContact CG1-CD1 3.92Å; V284-L288 HydrophobicContact CG1-CG 4.33Å; V284-L288 WeakPolarHBondContact O-CB 3.4Å; V284-L288 VanDerWaalsContact O-CG 3.3Å; V284-L288 WeakPolarHBondContact O-CG 3.43Å; V284-L288 PolarHBondContact O-N 3.32Å; E285-L288 PolarHBondContact O-N 3.07Å; Q286-L288 PolarHBondContact O-N 3.26Å; L288-E291 PolarHBondContact O-N 3.17Å; L288-L292 WeakPolarHBondContact O-CB 3.14Å; L288-L292 VanDerWaalsContact O-CG 3.25Å; L288-L292 WeakPolarHBondContact O-CG 3.41Å; L288-L292 PolarHBondContact O-N 2.84Å |
| 289 | A | 96.4 | Very high | 96.8 | Very high | 57 Ų | 57 | 99.8 Ų | 99.8 | 47% | 0.471 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.7 | -39.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | E285 Q286 V287 S293 | E285-A289 VanDerWaalsContact O-CB 3.28Å; E285-A289 WeakPolarHBondContact O-CB 3.45Å; E285-A289 PolarHBondContact O-N 2.94Å; Q286-A289 PolarHBondContact O-N 3.35Å; V287-A289 VanDerWaalsContact C-N 3.34Å; V287-A289 PolarHBondContact O-N 3.49Å; A289-S293 PolarHBondContact O-N 3.2Å |
| 290 | E | 96.8 | Very high | 96.8 | Very high | 123 Ų | 123 | 97.4 Ų | 97.4 | 58% | 0.575 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.5 | -47.8 | 173.2 | -74.8 | 171.4 | -167.5 | 0 | 0 | 110.8 | Q286 V287 L292 S293 T294 | Q286-E290 WeakPolarHBondContact O-CB 3.39Å; Q286-E290 VanDerWaalsContact O-CG 3.31Å; Q286-E290 WeakPolarHBondContact O-CG 3.3Å; Q286-E290 PolarHBondContact O-N 3.03Å; V287-E290 WeakPolarHBondContact O-CB 3.41Å; V287-E290 PolarHBondContact O-N 3.31Å; E290-L292 VanDerWaalsContact C-N 3.34Å; E290-L292 PolarHBondContact O-N 3.46Å; E290-S293 CarbonylContact O-C 3.58Å; E290-S293 WeakPolarHBondContact O-CA 3.21Å; E290-S293 WeakPolarHBondContact O-CB 3.32Å; E290-S293 PolarHBondContact O-N 2.93Å; E290-T294 WeakPolarHBondContact O-CG2 3.27Å; E290-T294 PolarHBondContact O-N 3.5Å; E290-T294 PolarHBondContact O-OG1 3.15Å |
| 291 | E | 96.1 | Very high | 96.9 | Very high | 105 Ų | 105 | 94.9 Ų | 94.9 | 49% | 0.491 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -55.7 | -48.4 | 175.6 | -75.3 | 174.3 | 178.9 | 0 | 0 | 111.3 | V287 L288 S293 T294 E295 | V287-E291 HydrophobicContact CG1-CG 4.45Å; V287-E291 WeakPolarHBondContact O-CB 3.2Å; V287-E291 WeakPolarHBondContact O-CG 3.4Å; V287-E291 PolarHBondContact O-N 2.89Å; L288-E291 PolarHBondContact O-N 3.17Å; E291-S293 VanDerWaalsContact C-N 3.29Å; E291-S293 PolarHBondContact O-N 3.44Å; E291-T294 PolarHBondContact O-N 3.5Å; E291-T294 PolarHBondContact O-OG1 2.89Å; E291-E295 PolarHBondContact O-N 3.21Å |
| 292 | L | 97.1 | Very high | 97 | Very high | 97 Ų | 97 | 96.2 Ų | 96.2 | 51% | 0.508 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.6 | -35.8 | 175.3 | -70.4 | 173.2 | 0 | 0 | 0 | 112.7 | L288 E290 K296 | L288-L292 WeakPolarHBondContact O-CB 3.14Å; L288-L292 VanDerWaalsContact O-CG 3.25Å; L288-L292 WeakPolarHBondContact O-CG 3.41Å; L288-L292 PolarHBondContact O-N 2.84Å; E290-L292 VanDerWaalsContact C-N 3.34Å; E290-L292 PolarHBondContact O-N 3.46Å; L292-K296 VanDerWaalsContact O-CG 3.28Å; L292-K296 WeakPolarHBondContact O-CG 3.24Å; L292-K296 PolarHBondContact O-N 2.92Å |
| 293 | S | 95.2 | Very high | 97.1 | Very high | 51 Ų | 51 | 95.6 Ų | 95.6 | 36% | 0.357 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.5 | -46.4 | 174.3 | -163.5 | 0 | 0 | 0 | 0 | 110.9 | A289 E290 E291 E295 K296 E297 | A289-S293 PolarHBondContact O-N 3.2Å; E290-S293 CarbonylContact O-C 3.58Å; E290-S293 WeakPolarHBondContact O-CA 3.21Å; E290-S293 WeakPolarHBondContact O-CB 3.32Å; E290-S293 PolarHBondContact O-N 2.93Å; E291-S293 VanDerWaalsContact C-N 3.29Å; E291-S293 PolarHBondContact O-N 3.44Å; S293-E295 VanDerWaalsContact C-N 3.3Å; S293-E295 PolarHBondContact O-N 3.42Å; S293-K296 WeakPolarHBondContact O-CB 3.31Å; S293-K296 PolarHBondContact O-N 2.9Å; S293-E297 WeakPolarHBondContact O-CB 3.41Å; S293-E297 WeakPolarHBondContact O-CG 3.29Å; S293-E297 PolarHBondContact O-N 2.93Å; S293-E297 PolarHBondContact OG-OE1 3.46Å |
| 294 | T | 96.4 | Very high | 97.1 | Very high | 81 Ų | 81 | 97.3 Ų | 97.3 | 50% | 0.497 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.1 | -33.6 | 179.4 | 64.4 | 0 | 0 | 0 | 0 | 112.2 | E290 E291 E297 A298 | E290-T294 WeakPolarHBondContact O-CG2 3.27Å; E290-T294 PolarHBondContact O-N 3.5Å; E290-T294 PolarHBondContact O-OG1 3.15Å; E291-T294 PolarHBondContact O-N 3.5Å; E291-T294 PolarHBondContact O-OG1 2.89Å; T294-E297 PolarHBondContact O-N 3.47Å; T294-A298 WeakPolarHBondContact O-CB 3.4Å; T294-A298 PolarHBondContact O-N 2.94Å |
| 295 | E | 97.1 | Very high | 97.2 | Very high | 129 Ų | 129 | 98.8 Ų | 98.8 | 60% | 0.603 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -68 | -40.7 | 174.8 | -174.8 | 173.7 | -160.2 | 0 | 0 | 111.9 | E291 S293 S299 | E291-E295 PolarHBondContact O-N 3.21Å; S293-E295 VanDerWaalsContact C-N 3.3Å; S293-E295 PolarHBondContact O-N 3.42Å; E295-S299 WeakPolarHBondContact O-CB 3.45Å; E295-S299 PolarHBondContact O-N 2.85Å; E295-S299 PolarHBondContact O-OG 3.2Å |
| 296 | K | 96.8 | Very high | 97.2 | Very high | 140 Ų | 140 | 99.9 Ų | 99.9 | 61% | 0.609 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.7 | -46.2 | 173.4 | -71.3 | 169.4 | -175 | 174.1 | 0 | 110.9 | L292 S293 S299 I300 | L292-K296 VanDerWaalsContact O-CG 3.28Å; L292-K296 WeakPolarHBondContact O-CG 3.24Å; L292-K296 PolarHBondContact O-N 2.92Å; S293-K296 WeakPolarHBondContact O-CB 3.31Å; S293-K296 PolarHBondContact O-N 2.9Å; K296-S299 WeakPolarHBondContact O-CB 3.35Å; K296-S299 PolarHBondContact O-N 3.39Å; K296-I300 VanDerWaalsContact O-CG1 3.31Å; K296-I300 WeakPolarHBondContact O-CG1 3.41Å; K296-I300 PolarHBondContact O-N 3.34Å |
| 297 | E | 96.4 | Very high | 97.2 | Very high | 107 Ų | 107 | 98.6 Ų | 98.6 | 50% | 0.5 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61 | -46.5 | 176.3 | -73.9 | 172.5 | -159.6 | 0 | 0 | 111.6 | S293 T294 S299 I300 D301 | S293-E297 WeakPolarHBondContact O-CB 3.41Å; S293-E297 WeakPolarHBondContact O-CG 3.29Å; S293-E297 PolarHBondContact O-N 2.93Å; S293-E297 PolarHBondContact OG-OE1 3.46Å; T294-E297 PolarHBondContact O-N 3.47Å; E297-S299 PolarHBondContact O-N 2.84Å; E297-I300 WeakPolarHBondContact O-CB 3.47Å; E297-I300 PolarHBondContact O-N 3.34Å; E297-I300 VanDerWaalsContact O-N 3.08Å; E297-D301 PolarHBondContact O-N 3.41Å |
| 298 | A | 97.9 | Very high | 97.2 | Very high | 42 Ų | 42 | 99.2 Ų | 99.2 | 35% | 0.347 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61 | -35.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | T294 K302 | T294-A298 WeakPolarHBondContact O-CB 3.4Å; T294-A298 PolarHBondContact O-N 2.94Å; A298-K302 WeakPolarHBondContact O-CB 3.25Å; A298-K302 WeakPolarHBondContact O-CG 3.47Å; A298-K302 PolarHBondContact O-N 2.88Å |
| 299 | S | 97.9 | Very high | 97.1 | Very high | 62 Ų | 62 | 99.3 Ų | 99.3 | 43% | 0.434 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -68 | -39.8 | 174.6 | -62.7 | 0 | 0 | 0 | 0 | 112.1 | E295 K296 E297 W303 | E295-S299 WeakPolarHBondContact O-CB 3.45Å; E295-S299 PolarHBondContact O-N 2.85Å; E295-S299 PolarHBondContact O-OG 3.2Å; K296-S299 WeakPolarHBondContact O-CB 3.35Å; K296-S299 PolarHBondContact O-N 3.39Å; E297-S299 PolarHBondContact O-N 2.84Å; S299-W303 PolarHBondContact O-N 2.82Å |
| 300 | I | 97.4 | Very high | 97.1 | Very high | 81 Ų | 81 | 101.8 Ų | 101.8 | 42% | 0.415 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.4 | -45.7 | 173.7 | -68.9 | 164.4 | 0 | 0 | 0 | 110.2 | K296 E297 W303 R304 | K296-I300 VanDerWaalsContact O-CG1 3.31Å; K296-I300 WeakPolarHBondContact O-CG1 3.41Å; K296-I300 PolarHBondContact O-N 3.34Å; E297-I300 WeakPolarHBondContact O-CB 3.47Å; E297-I300 PolarHBondContact O-N 3.34Å; E297-I300 VanDerWaalsContact O-N 3.08Å; I300-W303 CarbonylContact O-C 3.6Å; I300-W303 WeakPolarHBondContact O-CA 3.36Å; I300-W303 WeakPolarHBondContact O-CB 3.4Å; I300-W303 PolarHBondContact O-N 2.83Å; I300-W303 VanDerWaalsContact O-N 3.11Å; I300-R304 HydrophobicContact CG2-CG 4.37Å; I300-R304 WeakPolarHBondContact O-CG 3.46Å; I300-R304 PolarHBondContact O-N 3.23Å |
| 301 | D | 97.8 | Very high | 97.1 | Very high | 87 Ų | 87 | 100.7 Ų | 100.7 | 47% | 0.465 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -68.5 | -39.3 | -179.1 | -72.9 | -16.9 | 0 | 0 | 0 | 112.1 | E297 W303 R304 M305 | E297-D301 PolarHBondContact O-N 3.41Å; D301-W303 VanDerWaalsContact C-N 3.26Å; D301-W303 PolarHBondContact O-N 2.97Å; D301-R304 PolarHBondContact O-N 3.27Å; D301-R304 IonicContact OD1-NH1 3.72Å; D301-R304 PolarHBondContact OD1-NH1 2.91Å; D301-M305 VanDerWaalsContact O-CB 3.3Å; D301-M305 WeakPolarHBondContact O-CB 3.5Å; D301-M305 PolarHBondContact O-N 3.35Å |
| 302 | K | 98.3 | Very high | 97 | Very high | 128 Ų | 128 | 100.1 Ų | 100.1 | 56% | 0.557 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -56 | -42.6 | 168.8 | -77 | 168.9 | -173.1 | 172.4 | 0 | 111.1 | A298 R306 | A298-K302 WeakPolarHBondContact O-CB 3.25Å; A298-K302 WeakPolarHBondContact O-CG 3.47Å; A298-K302 PolarHBondContact O-N 2.88Å; K302-R306 VanDerWaalsContact O-CG 3.25Å; K302-R306 WeakPolarHBondContact O-CG 3.34Å; K302-R306 PolarHBondContact O-N 3.48Å; K302-R306 VanDerWaalsContact O-N 3.1Å |
| 303 | W | 98.1 | Very high | 96.8 | Very high | 152 Ų | 152 | 101.4 Ų | 101.4 | 58% | 0.576 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -67.2 | -46.3 | 177.4 | 179.7 | 92 | 0 | 0 | 0 | 112 | S299 I300 D301 M305 R306 Q307 | S299-W303 PolarHBondContact O-N 2.82Å; I300-W303 CarbonylContact O-C 3.6Å; I300-W303 WeakPolarHBondContact O-CA 3.36Å; I300-W303 WeakPolarHBondContact O-CB 3.4Å; I300-W303 PolarHBondContact O-N 2.83Å; I300-W303 VanDerWaalsContact O-N 3.11Å; D301-W303 VanDerWaalsContact C-N 3.26Å; D301-W303 PolarHBondContact O-N 2.97Å; W303-M305 VanDerWaalsContact C-N 3.34Å; W303-M305 PolarHBondContact O-N 3.38Å; W303-R306 WeakPolarHBondContact O-CB 3.37Å; W303-R306 PolarHBondContact O-N 3.29Å; W303-Q307 HydrophobicContact CD2-CG 4.01Å; W303-Q307 HydrophobicContact CE3-CG 4.16Å; W303-Q307 HydrophobicContact CH2-CG 3.91Å; W303-Q307 HydrophobicContact CZ2-CG 3.75Å; W303-Q307 HydrophobicContact CZ3-CG 4.11Å; W303-Q307 WeakPolarHBondContact O-CG 3.44Å; W303-Q307 PolarHBondContact O-N 2.84Å |
| 304 | R | 98.1 | Very high | 96.7 | Very high | 138 Ų | 138 | 105.4 Ų | 105.4 | 52% | 0.521 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -58.6 | -46 | 177 | -73.1 | 173 | 175.1 | 162.7 | -4.4 | 111.3 | I300 D301 R306 Q307 I308 | I300-R304 HydrophobicContact CG2-CG 4.37Å; I300-R304 WeakPolarHBondContact O-CG 3.46Å; I300-R304 PolarHBondContact O-N 3.23Å; D301-R304 PolarHBondContact O-N 3.27Å; D301-R304 IonicContact OD1-NH1 3.72Å; D301-R304 PolarHBondContact OD1-NH1 2.91Å; R304-R306 VanDerWaalsContact C-N 3.33Å; R304-R306 PolarHBondContact O-N 2.97Å; R304-Q307 PolarHBondContact O-N 3.37Å; R304-I308 WeakPolarHBondContact O-CG1 3.35Å; R304-I308 PolarHBondContact O-N 3.13Å |
| 305 | M | 97.6 | Very high | 96.6 | Very high | 105 Ų | 105 | 108.2 Ų | 108.2 | 52% | 0.517 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58.7 | -44.5 | 176.9 | -170.6 | 61.7 | 65 | 0 | 0 | 111.3 | D301 W303 Q307 I308 Q309 | D301-M305 VanDerWaalsContact O-CB 3.3Å; D301-M305 WeakPolarHBondContact O-CB 3.5Å; D301-M305 PolarHBondContact O-N 3.35Å; W303-M305 VanDerWaalsContact C-N 3.34Å; W303-M305 PolarHBondContact O-N 3.38Å; M305-Q307 VanDerWaalsContact C-N 3.3Å; M305-Q307 PolarHBondContact O-N 3.25Å; M305-I308 PolarHBondContact O-N 2.85Å; M305-Q309 WeakPolarHBondContact O-CB 2.96Å; M305-Q309 VanDerWaalsContact O-CG 3.23Å; M305-Q309 WeakPolarHBondContact O-CG 3.29Å; M305-Q309 PolarHBondContact O-N 3.33Å |
| 306 | R | 97.4 | Very high | 96.4 | Very high | 157 Ų | 157 | 108.2 Ų | 108.2 | 59% | 0.592 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.7 | -36.4 | 174.8 | -71.4 | 170.6 | -173.1 | 178.2 | 3.1 | 112.5 | K302 W303 R304 K310 | K302-R306 VanDerWaalsContact O-CG 3.25Å; K302-R306 WeakPolarHBondContact O-CG 3.34Å; K302-R306 PolarHBondContact O-N 3.48Å; K302-R306 VanDerWaalsContact O-N 3.1Å; W303-R306 WeakPolarHBondContact O-CB 3.37Å; W303-R306 PolarHBondContact O-N 3.29Å; R304-R306 VanDerWaalsContact C-N 3.33Å; R304-R306 PolarHBondContact O-N 2.97Å; R306-K310 VanDerWaalsContact O-CG 3.25Å; R306-K310 WeakPolarHBondContact O-CG 3.47Å; R306-K310 PolarHBondContact O-N 2.8Å; R306-K310 VanDerWaalsContact O-N 3.15Å |
| 307 | Q | 97.5 | Very high | 96.1 | Very high | 67 Ų | 67 | 107.2 Ų | 107.2 | 31% | 0.313 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -71.3 | -43.8 | 176.8 | -64.3 | -55.4 | -34 | 0 | 0 | 111.9 | W303 R304 M305 K310 V311 | W303-Q307 HydrophobicContact CD2-CG 4.01Å; W303-Q307 HydrophobicContact CE3-CG 4.16Å; W303-Q307 HydrophobicContact CH2-CG 3.91Å; W303-Q307 HydrophobicContact CZ2-CG 3.75Å; W303-Q307 HydrophobicContact CZ3-CG 4.11Å; W303-Q307 WeakPolarHBondContact O-CG 3.44Å; W303-Q307 PolarHBondContact O-N 2.84Å; R304-Q307 PolarHBondContact O-N 3.37Å; M305-Q307 VanDerWaalsContact C-N 3.3Å; M305-Q307 PolarHBondContact O-N 3.25Å; Q307-K310 PolarHBondContact O-N 2.98Å; Q307-V311 WeakPolarHBondContact O-CG2 3.4Å; Q307-V311 PolarHBondContact O-N 2.83Å |
| 308 | I | 97.3 | Very high | 95.8 | Very high | 85 Ų | 85 | 108.2 Ų | 108.2 | 44% | 0.436 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58.9 | -49.7 | 175.9 | -68.6 | 166.3 | 0 | 0 | 0 | 109.7 | R304 M305 K310 V311 E312 | R304-I308 WeakPolarHBondContact O-CG1 3.35Å; R304-I308 PolarHBondContact O-N 3.13Å; M305-I308 PolarHBondContact O-N 2.85Å; I308-K310 VanDerWaalsContact C-N 3.34Å; I308-K310 PolarHBondContact O-N 3.31Å; I308-V311 PolarHBondContact O-N 2.93Å; I308-E312 HydrophobicContact CG2-CG 4.19Å; I308-E312 WeakPolarHBondContact CG2-OE1 3.35Å; I308-E312 WeakPolarHBondContact O-CG 3.34Å; I308-E312 PolarHBondContact O-N 3.29Å |
| 309 | Q | 96.1 | Very high | 95.5 | Very high | 91 Ų | 91 | 112.2 Ų | 112.2 | 43% | 0.425 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -55.7 | -46 | 177.2 | -75.3 | 172.7 | -5.3 | 0 | 0 | 112.1 | M305 V311 E312 E313 | M305-Q309 WeakPolarHBondContact O-CB 2.96Å; M305-Q309 VanDerWaalsContact O-CG 3.23Å; M305-Q309 WeakPolarHBondContact O-CG 3.29Å; M305-Q309 PolarHBondContact O-N 3.33Å; Q309-V311 VanDerWaalsContact C-N 3.31Å; Q309-V311 PolarHBondContact O-N 3.41Å; Q309-E312 PolarHBondContact O-N 3.41Å; Q309-E313 WeakPolarHBondContact O-CB 3.13Å; Q309-E313 VanDerWaalsContact O-CG 3.25Å; Q309-E313 WeakPolarHBondContact O-CG 3.41Å; Q309-E313 PolarHBondContact O-N 3.34Å |
| 310 | K | 95.3 | Very high | 95.1 | Very high | 110 Ų | 110 | 114.5 Ų | 114.5 | 48% | 0.478 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59.7 | -39.9 | 176.4 | -76 | 171.6 | -178.6 | 179.8 | 0 | 113 | R306 Q307 I308 K314 | R306-K310 VanDerWaalsContact O-CG 3.25Å; R306-K310 WeakPolarHBondContact O-CG 3.47Å; R306-K310 PolarHBondContact O-N 2.8Å; R306-K310 VanDerWaalsContact O-N 3.15Å; Q307-K310 PolarHBondContact O-N 2.98Å; I308-K310 VanDerWaalsContact C-N 3.34Å; I308-K310 PolarHBondContact O-N 3.31Å; K310-K314 WeakPolarHBondContact O-CG 3.28Å; K310-K314 PolarHBondContact O-N 2.84Å; K310-K314 VanDerWaalsContact O-N 3.15Å |
| 311 | V | 96.5 | Very high | 94.8 | Very high | 99 Ų | 99 | 117.4 Ų | 117.4 | 60% | 0.6 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -70.8 | -42.7 | 178.6 | 172.8 | 0 | 0 | 0 | 0 | 110.5 | Q307 I308 Q309 K314 K315 | Q307-V311 WeakPolarHBondContact O-CG2 3.4Å; Q307-V311 PolarHBondContact O-N 2.83Å; I308-V311 PolarHBondContact O-N 2.93Å; Q309-V311 VanDerWaalsContact C-N 3.31Å; Q309-V311 PolarHBondContact O-N 3.41Å; V311-K314 PolarHBondContact O-N 2.86Å; V311-K315 WeakPolarHBondContact O-CB 3.45Å; V311-K315 PolarHBondContact O-N 3.34Å |
| 312 | E | 94.4 | Very high | 94.6 | Very high | 94 Ų | 94 | 118.9 Ų | 118.9 | 44% | 0.439 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.2 | -40.9 | 176.7 | -73 | -178 | 174.5 | 0 | 0 | 112.4 | I308 Q309 K315 K316 | I308-E312 HydrophobicContact CG2-CG 4.19Å; I308-E312 WeakPolarHBondContact CG2-OE1 3.35Å; I308-E312 WeakPolarHBondContact O-CG 3.34Å; I308-E312 PolarHBondContact O-N 3.29Å; Q309-E312 PolarHBondContact O-N 3.41Å; E312-K315 PolarHBondContact O-N 3.27Å; E312-K316 WeakPolarHBondContact O-CB 3.36Å; E312-K316 VanDerWaalsContact O-CG 3.29Å; E312-K316 WeakPolarHBondContact O-CG 3.32Å; E312-K316 PolarHBondContact O-N 3.44Å |
| 313 | E | 93 | Very high | 94.3 | Very high | 124 Ų | 124 | 116.4 Ų | 116.4 | 58% | 0.579 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -60 | -48.7 | 174.2 | -76.9 | 174.6 | 171.3 | 0 | 0 | 110.8 | Q309 K315 K316 E317 | Q309-E313 WeakPolarHBondContact O-CB 3.13Å; Q309-E313 VanDerWaalsContact O-CG 3.25Å; Q309-E313 WeakPolarHBondContact O-CG 3.41Å; Q309-E313 PolarHBondContact O-N 3.34Å; E313-K315 VanDerWaalsContact C-N 3.29Å; E313-K315 PolarHBondContact O-N 3.34Å; E313-K316 PolarHBondContact O-N 3.19Å; E313-E317 WeakPolarHBondContact O-CB 3.33Å; E313-E317 PolarHBondContact O-N 3.06Å |
| 314 | K | 92.9 | Very high | 94 | Very high | 135 Ų | 135 | 110.5 Ų | 110.5 | 59% | 0.587 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59.7 | -38.9 | 174.8 | -74.9 | 179 | 178.1 | -172.7 | 0 | 112.6 | K310 V311 Q318 | K310-K314 WeakPolarHBondContact O-CG 3.28Å; K310-K314 PolarHBondContact O-N 2.84Å; K310-K314 VanDerWaalsContact O-N 3.15Å; V311-K314 PolarHBondContact O-N 2.86Å; K314-Q318 VanDerWaalsContact O-CG 3.29Å; K314-Q318 WeakPolarHBondContact O-CG 3.38Å; K314-Q318 PolarHBondContact O-N 2.84Å |
| 315 | K | 95.4 | Very high | 93.8 | Very high | 139 Ų | 139 | 107.1 Ų | 107.1 | 60% | 0.604 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.1 | -44.8 | 177.2 | -175.4 | -177.7 | 175 | -173.9 | 0 | 111.1 | V311 E312 E313 E317 Q318 E319 | V311-K315 WeakPolarHBondContact O-CB 3.45Å; V311-K315 PolarHBondContact O-N 3.34Å; E312-K315 PolarHBondContact O-N 3.27Å; E313-K315 VanDerWaalsContact C-N 3.29Å; E313-K315 PolarHBondContact O-N 3.34Å; K315-E317 VanDerWaalsContact C-N 3.34Å; K315-Q318 PolarHBondContact O-N 3Å; K315-E319 WeakPolarHBondContact O-CB 3.36Å; K315-E319 PolarHBondContact O-N 2.8Å |
| 316 | K | 92.6 | Very high | 93.7 | Very high | 130 Ų | 130 | 104.9 Ų | 104.9 | 57% | 0.565 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.4 | -42.5 | 176.4 | -73.7 | 171.3 | -177.8 | 172.1 | 0 | 111.3 | E312 E313 E319 L320 | E312-K316 WeakPolarHBondContact O-CB 3.36Å; E312-K316 VanDerWaalsContact O-CG 3.29Å; E312-K316 WeakPolarHBondContact O-CG 3.32Å; E312-K316 PolarHBondContact O-N 3.44Å; E313-K316 PolarHBondContact O-N 3.19Å; K316-E319 PolarHBondContact O-N 2.87Å; K316-L320 WeakPolarHBondContact O-CB 3.36Å; K316-L320 PolarHBondContact O-N 3.17Å |
| 317 | E | 89.8 | Confident | 93.6 | Very high | 118 Ų | 118 | 100.5 Ų | 100.5 | 55% | 0.551 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.6 | -45.7 | 175.6 | -170.9 | -168.6 | 158.4 | 0 | 0 | 111.7 | E313 K315 E319 L320 K321 | E313-E317 WeakPolarHBondContact O-CB 3.33Å; E313-E317 PolarHBondContact O-N 3.06Å; K315-E317 VanDerWaalsContact C-N 3.34Å; E317-E319 PolarHBondContact O-N 3.03Å; E317-L320 PolarHBondContact O-N 3.42Å; E317-K321 PolarHBondContact O-N 3.04Å |
| 318 | Q | 89.4 | Confident | 93.5 | Very high | 128 Ų | 128 | 97.6 Ų | 97.6 | 60% | 0.598 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -62.2 | -42.5 | 175.8 | -73.7 | 174.3 | 2.1 | 0 | 0 | 112.4 | K314 K315 L320 K321 L322 | K314-Q318 VanDerWaalsContact O-CG 3.29Å; K314-Q318 WeakPolarHBondContact O-CG 3.38Å; K314-Q318 PolarHBondContact O-N 2.84Å; K315-Q318 PolarHBondContact O-N 3Å; Q318-L320 VanDerWaalsContact C-N 3.33Å; Q318-K321 PolarHBondContact O-N 3.38Å; Q318-L322 VanDerWaalsContact O-CG 3.32Å; Q318-L322 WeakPolarHBondContact O-CG 3.32Å; Q318-L322 PolarHBondContact O-N 3.15Å |
| 319 | E | 93 | Very high | 93.5 | Very high | 126 Ų | 126 | 97 Ų | 97 | 59% | 0.589 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.9 | -41.3 | 177 | -174.1 | 172.5 | -174.1 | 0 | 0 | 111.6 | K315 K316 E317 K321 L322 S323 | K315-E319 WeakPolarHBondContact O-CB 3.36Å; K315-E319 PolarHBondContact O-N 2.8Å; K316-E319 PolarHBondContact O-N 2.87Å; E317-E319 PolarHBondContact O-N 3.03Å; E319-K321 PolarHBondContact O-N 2.83Å; E319-L322 PolarHBondContact O-N 3.26Å; E319-S323 WeakPolarHBondContact O-CB 3.31Å; E319-S323 PolarHBondContact O-N 3.42Å |
| 320 | L | 89.8 | Confident | 93.6 | Very high | 110 Ų | 110 | 96.8 Ų | 96.8 | 58% | 0.576 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63 | -43 | 176.3 | -136 | 135.9 | 0 | 0 | 0 | 111.3 | K316 E317 Q318 S323 A324 | K316-L320 WeakPolarHBondContact O-CB 3.36Å; K316-L320 PolarHBondContact O-N 3.17Å; E317-L320 PolarHBondContact O-N 3.42Å; Q318-L320 VanDerWaalsContact C-N 3.33Å; L320-S323 WeakPolarHBondContact O-CB 3.41Å; L320-S323 PolarHBondContact O-N 2.87Å; L320-A324 PolarHBondContact O-N 2.95Å |
| 321 | K | 91 | Very high | 93.7 | Very high | 143 Ų | 143 | 91.6 Ų | 91.6 | 62% | 0.622 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -61.4 | -47.7 | 174.3 | -176.6 | 176.1 | -179.4 | 175.5 | 0 | 112.1 | E317 Q318 E319 S323 A324 D325 | E317-K321 PolarHBondContact O-N 3.04Å; Q318-K321 PolarHBondContact O-N 3.38Å; E319-K321 PolarHBondContact O-N 2.83Å; K321-S323 VanDerWaalsContact C-N 3.29Å; K321-S323 PolarHBondContact O-N 3.44Å; K321-A324 PolarHBondContact O-N 3.08Å; K321-D325 PolarHBondContact O-N 2.93Å |
| 322 | L | 92.9 | Very high | 93.7 | Very high | 118 Ų | 118 | 92.1 Ų | 92.1 | 62% | 0.618 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -62.2 | -38.7 | 177.9 | -71.6 | 174.6 | 0 | 0 | 0 | 111.7 | Q318 E319 D325 A326 | Q318-L322 VanDerWaalsContact O-CG 3.32Å; Q318-L322 WeakPolarHBondContact O-CG 3.32Å; Q318-L322 PolarHBondContact O-N 3.15Å; E319-L322 PolarHBondContact O-N 3.26Å; L322-D325 PolarHBondContact O-N 2.89Å; L322-A326 WeakPolarHBondContact O-CB 3.49Å; L322-A326 PolarHBondContact O-N 3.45Å |
| 323 | S | 93 | Very high | 93.9 | Very high | 76 Ų | 76 | 96 Ų | 96 | 53% | 0.531 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.4 | -44 | 174.3 | -176.6 | 0 | 0 | 0 | 0 | 111.4 | E319 L320 K321 A326 V327 | E319-S323 WeakPolarHBondContact O-CB 3.31Å; E319-S323 PolarHBondContact O-N 3.42Å; L320-S323 WeakPolarHBondContact O-CB 3.41Å; L320-S323 PolarHBondContact O-N 2.87Å; K321-S323 VanDerWaalsContact C-N 3.29Å; K321-S323 PolarHBondContact O-N 3.44Å; S323-A326 PolarHBondContact O-N 3.14Å; S323-V327 WeakPolarHBondContact O-CG2 3.4Å; S323-V327 PolarHBondContact O-N 2.86Å |
| 324 | A | 91.1 | Very high | 94.2 | Very high | 28 Ų | 28 | 92.9 Ų | 92.9 | 23% | 0.231 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -64.6 | -43.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L320 K321 A326 V327 L328 L403 | L320-A324 PolarHBondContact O-N 2.95Å; K321-A324 PolarHBondContact O-N 3.08Å; A324-A326 VanDerWaalsContact C-N 3.32Å; A324-A326 PolarHBondContact O-N 3.45Å; A324-V327 PolarHBondContact O-N 2.8Å; A324-L328 PolarHBondContact O-N 3.26Å; A324-L328 VanDerWaalsContact O-N 3.11Å; A324-L403 HydrophobicContact CB-CD1 4.5Å; A324-L403 HydrophobicContact CB-CD2 3.88Å; A324-L403 HydrophobicContact CB-CG 4.34Å |
| 325 | D | 92.9 | Very high | 94.4 | Very high | 66 Ų | 66 | 88.2 Ų | 88.2 | 35% | 0.353 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -62.3 | -37.8 | 175.3 | -76.5 | -26.3 | 0 | 0 | 0 | 112 | K321 L322 L328 C329 | K321-D325 PolarHBondContact O-N 2.93Å; L322-D325 PolarHBondContact O-N 2.89Å; D325-L328 PolarHBondContact O-N 2.96Å; D325-C329 WeakPolarHBondContact O-CB 3.41Å; D325-C329 PolarHBondContact O-N 3.44Å; D325-C329 PolarHBondContact O-SG 3.29Å |
| 326 | A | 96.8 | Very high | 94.5 | Very high | 59 Ų | 59 | 84.2 Ų | 84.2 | 49% | 0.488 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -62.4 | -44.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L322 S323 A324 C329 E330 | L322-A326 WeakPolarHBondContact O-CB 3.49Å; L322-A326 PolarHBondContact O-N 3.45Å; S323-A326 PolarHBondContact O-N 3.14Å; A324-A326 VanDerWaalsContact C-N 3.32Å; A324-A326 PolarHBondContact O-N 3.45Å; A326-C329 PolarHBondContact O-N 3.22Å; A326-E330 PolarHBondContact O-N 3.05Å |
| 327 | V | 95.8 | Very high | 94.8 | Very high | 65 Ų | 65 | 82.1 Ų | 82.1 | 39% | 0.394 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -63.5 | -44.7 | 176.4 | 176 | 0 | 0 | 0 | 0 | 110.8 | S323 A324 C329 E330 V331 L399 | S323-V327 WeakPolarHBondContact O-CG2 3.4Å; S323-V327 PolarHBondContact O-N 2.86Å; A324-V327 PolarHBondContact O-N 2.8Å; V327-C329 VanDerWaalsContact C-N 3.34Å; V327-C329 PolarHBondContact O-N 3.29Å; V327-E330 WeakPolarHBondContact O-CB 3.25Å; V327-E330 PolarHBondContact O-N 3.3Å; V327-E330 VanDerWaalsContact O-N 3.16Å; V327-V331 PolarHBondContact O-N 2.67Å; V327-V331 VanDerWaalsContact O-N 3.11Å; V327-L399 HydrophobicContact CG1-CD1 3.92Å |
| 328 | L | 95.1 | Very high | 95.2 | Very high | 5 Ų | 5 | 76.8 Ų | 76.8 | 3% | 0.026 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -61.5 | -41.4 | 175.4 | -76.5 | 174.4 | 0 | 0 | 0 | 112.2 | A324 D325 E330 V331 R332 E396 L399 M400 L403 | A324-L328 PolarHBondContact O-N 3.26Å; A324-L328 VanDerWaalsContact O-N 3.11Å; D325-L328 PolarHBondContact O-N 2.96Å; L328-E330 VanDerWaalsContact C-N 3.28Å; L328-E330 PolarHBondContact O-N 3.23Å; L328-V331 PolarHBondContact O-N 2.86Å; L328-R332 WeakPolarHBondContact O-CG 3.23Å; L328-R332 PolarHBondContact O-N 2.88Å; L328-E396 HydrophobicContact CD2-CG 4.41Å; L328-L399 HydrophobicContact CD2-CB 3.75Å; L328-L399 HydrophobicContact CD2-CD1 4.1Å; L328-M400 HydrophobicContact CD1-SD 4.06Å; L328-M400 HydrophobicContact CD2-CG 4.5Å; L328-M400 HydrophobicContact CD2-SD 4.46Å; L328-L403 HydrophobicContact CD1-CD2 4Å |
| 329 | C | 96.7 | Very high | 95.6 | Very high | 72 Ų | 72 | 76.7 Ų | 76.7 | 49% | 0.486 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.1 | -36.7 | 175.6 | -72.2 | 0 | 0 | 0 | 0 | 111.8 | D325 A326 V327 R332 R333 | D325-C329 WeakPolarHBondContact O-CB 3.41Å; D325-C329 PolarHBondContact O-N 3.44Å; D325-C329 PolarHBondContact O-SG 3.29Å; A326-C329 PolarHBondContact O-N 3.22Å; V327-C329 VanDerWaalsContact C-N 3.34Å; V327-C329 PolarHBondContact O-N 3.29Å; C329-R332 PolarHBondContact O-N 3.49Å; C329-R333 WeakPolarHBondContact O-CB 3.36Å; C329-R333 PolarHBondContact O-N 3.16Å |
| 330 | E | 97.8 | Very high | 95.8 | Very high | 87 Ų | 87 | 78.6 Ų | 78.6 | 41% | 0.407 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -64 | -45 | 175 | -164.7 | -168.4 | 139.7 | 0 | 0 | 111.9 | A326 V327 L328 R332 R333 K334 | A326-E330 PolarHBondContact O-N 3.05Å; V327-E330 WeakPolarHBondContact O-CB 3.25Å; V327-E330 PolarHBondContact O-N 3.3Å; V327-E330 VanDerWaalsContact O-N 3.16Å; L328-E330 VanDerWaalsContact C-N 3.28Å; L328-E330 PolarHBondContact O-N 3.23Å; E330-R332 PolarHBondContact O-N 3.21Å; E330-R333 WeakPolarHBondContact O-CB 3.32Å; E330-R333 PolarHBondContact O-N 3.5Å; E330-K334 WeakPolarHBondContact O-CG 3.34Å; E330-K334 PolarHBondContact O-N 3.38Å; E330-K334 WeakPolarHBondContact OE1-CE 3.3Å; E330-K334 IonicContact OE1-NZ 3.49Å; E330-K334 PolarHBondContact OE1-NZ 3.44Å |
| 331 | V | 97.9 | Very high | 96.2 | Very high | 1 Ų | 1 | 76.4 Ų | 76.4 | 1% | 0.006 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -61.8 | -44.6 | 176.4 | 178.3 | 0 | 0 | 0 | 0 | 110.8 | V327 L328 R333 K334 Q335 Y392 E395 E396 L399 | V327-V331 PolarHBondContact O-N 2.67Å; V327-V331 VanDerWaalsContact O-N 3.11Å; L328-V331 PolarHBondContact O-N 2.86Å; V331-R333 VanDerWaalsContact C-N 3.29Å; V331-R333 PolarHBondContact O-N 3.32Å; V331-K334 WeakPolarHBondContact O-CB 3.41Å; V331-K334 PolarHBondContact O-N 3.29Å; V331-K334 VanDerWaalsContact O-N 3.1Å; V331-Q335 WeakPolarHBondContact O-CG 3.45Å; V331-Q335 PolarHBondContact O-N 2.95Å; V331-Y392 WeakPolarHBondContact CG1-O 3.34Å; V331-E395 HydrophobicContact CG1-CB 4.49Å; V331-E395 HydrophobicContact CG2-CG 4.1Å; V331-E396 HydrophobicContact CG1-CB 3.93Å; V331-L399 HydrophobicContact CG2-CD1 3.91Å |
| 332 | R | 97.3 | Very high | 96.5 | Very high | 110 Ų | 110 | 72.2 Ų | 72.2 | 42% | 0.415 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.4 | -37 | 175.4 | -70.8 | 176.1 | -173.6 | 144.7 | 3.3 | 112.4 | L328 C329 E330 Q335 A336 E396 | L328-R332 WeakPolarHBondContact O-CG 3.23Å; L328-R332 PolarHBondContact O-N 2.88Å; C329-R332 PolarHBondContact O-N 3.49Å; E330-R332 PolarHBondContact O-N 3.21Å; R332-Q335 PolarHBondContact O-N 2.93Å; R332-A336 WeakPolarHBondContact O-CB 3.35Å; R332-A336 PolarHBondContact O-N 2.8Å; R332-E396 IonicContact CZ-OE1 2.79Å; R332-E396 IonicContact NE-OE1 3.61Å; R332-E396 PolarHBondContact NE-OE1 3.46Å; R332-E396 IonicContact NH2-OE1 2.92Å |
| 333 | R | 98.3 | Very high | 96.7 | Very high | 175 Ų | 175 | 70.4 Ų | 70.4 | 66% | 0.66 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -63.5 | -43.8 | 173.2 | -170.9 | -176.2 | 69.5 | 124.8 | -1.1 | 111.3 | C329 E330 V331 Q335 A336 D337 | C329-R333 WeakPolarHBondContact O-CB 3.36Å; C329-R333 PolarHBondContact O-N 3.16Å; E330-R333 WeakPolarHBondContact O-CB 3.32Å; E330-R333 PolarHBondContact O-N 3.5Å; V331-R333 VanDerWaalsContact C-N 3.29Å; V331-R333 PolarHBondContact O-N 3.32Å; R333-Q335 VanDerWaalsContact C-N 3.34Å; R333-Q335 PolarHBondContact O-N 2.79Å; R333-A336 PolarHBondContact O-N 3.2Å; R333-D337 PolarHBondContact O-N 3.2Å |
| 334 | K | 98 | Very high | 96.9 | Very high | 59 Ų | 59 | 70.8 Ų | 70.8 | 26% | 0.257 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -60.1 | -43.6 | 174.8 | -69.6 | 171.4 | -176.5 | 161.8 | 0 | 111.3 | E330 V331 A336 D337 V338 Y392 | E330-K334 WeakPolarHBondContact O-CG 3.34Å; E330-K334 PolarHBondContact O-N 3.38Å; E330-K334 WeakPolarHBondContact OE1-CE 3.3Å; E330-K334 IonicContact OE1-NZ 3.49Å; E330-K334 PolarHBondContact OE1-NZ 3.44Å; V331-K334 WeakPolarHBondContact O-CB 3.41Å; V331-K334 PolarHBondContact O-N 3.29Å; V331-K334 VanDerWaalsContact O-N 3.1Å; K334-A336 PolarHBondContact O-N 3.01Å; K334-D337 PolarHBondContact O-N 3.2Å; K334-V338 WeakPolarHBondContact O-CG2 3.28Å; K334-V338 PolarHBondContact O-N 2.83Å; K334-Y392 HydrophobicContact CB-CD1 4.37Å; K334-Y392 HydrophobicContact CB-CD2 3.95Å; K334-Y392 HydrophobicContact CB-CE1 4.29Å; K334-Y392 HydrophobicContact CB-CE2 3.85Å; K334-Y392 HydrophobicContact CB-CG 4.22Å; K334-Y392 HydrophobicContact CD-CD1 4.33Å; K334-Y392 HydrophobicContact CD-CE1 3.9Å |
| 335 | Q | 97.9 | Very high | 97.2 | Very high | 37 Ų | 37 | 70 Ų | 70 | 17% | 0.173 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.1 | -43.1 | 175.2 | -67.8 | 178.9 | 4.8 | 0 | 0 | 112.5 | V331 R332 R333 D337 V338 K339 Y392 E396 | V331-Q335 WeakPolarHBondContact O-CG 3.45Å; V331-Q335 PolarHBondContact O-N 2.95Å; R332-Q335 PolarHBondContact O-N 2.93Å; R333-Q335 VanDerWaalsContact C-N 3.34Å; R333-Q335 PolarHBondContact O-N 2.79Å; Q335-D337 VanDerWaalsContact C-N 3.3Å; Q335-D337 PolarHBondContact O-N 2.92Å; Q335-V338 PolarHBondContact O-N 3.11Å; Q335-K339 WeakPolarHBondContact O-CG 3.39Å; Q335-K339 PolarHBondContact O-N 3.08Å; Q335-Y392 PolarHBondContact NE2-O 3Å; Q335-E396 PolarHBondContact NE2-OE2 2.82Å; Q335-E396 PolarHBondContact OE1-OE2 2.81Å |
| 336 | A | 98.1 | Very high | 97.4 | Very high | 56 Ų | 56 | 73.2 Ų | 73.2 | 46% | 0.463 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.4 | -36.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | R332 R333 K334 K339 R340 | R332-A336 WeakPolarHBondContact O-CB 3.35Å; R332-A336 PolarHBondContact O-N 2.8Å; R333-A336 PolarHBondContact O-N 3.2Å; K334-A336 PolarHBondContact O-N 3.01Å; A336-K339 PolarHBondContact O-N 3.03Å; A336-R340 PolarHBondContact O-N 3.1Å |
| 337 | D | 97.9 | Very high | 97.4 | Very high | 85 Ų | 85 | 73.4 Ų | 73.4 | 46% | 0.455 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -66.1 | -42 | 175.3 | -169 | 55.3 | 0 | 0 | 0 | 112.2 | R333 K334 Q335 K339 R340 M341 | R333-D337 PolarHBondContact O-N 3.2Å; K334-D337 PolarHBondContact O-N 3.2Å; Q335-D337 VanDerWaalsContact C-N 3.3Å; Q335-D337 PolarHBondContact O-N 2.92Å; D337-K339 VanDerWaalsContact C-N 3.32Å; D337-K339 PolarHBondContact O-N 2.83Å; D337-R340 WeakPolarHBondContact O-CB 3.22Å; D337-R340 PolarHBondContact O-N 2.9Å; D337-M341 PolarHBondContact O-N 2.84Å |
| 338 | V | 98.1 | Very high | 97.4 | Very high | 6 Ų | 6 | 74.2 Ų | 74.2 | 4% | 0.036 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60.4 | -42.5 | 173.2 | 174.9 | 0 | 0 | 0 | 0 | 111.3 | K334 Q335 M341 Q342 M385 R388 T389 Y392 | K334-V338 WeakPolarHBondContact O-CG2 3.28Å; K334-V338 PolarHBondContact O-N 2.83Å; Q335-V338 PolarHBondContact O-N 3.11Å; V338-M341 PolarHBondContact O-N 3.31Å; V338-Q342 WeakPolarHBondContact O-CG 3.38Å; V338-Q342 PolarHBondContact O-N 3.48Å; V338-M385 HydrophobicContact CG1-CB 4.27Å; V338-M385 HydrophobicContact CG1-SD 4.24Å; V338-R388 HydrophobicContact CG2-CB 4.01Å; V338-T389 VanDerWaalsContact CG1-OG1 3.3Å; V338-T389 WeakPolarHBondContact CG1-OG1 3.44Å; V338-Y392 HydrophobicContact CG2-CD2 3.86Å; V338-Y392 HydrophobicContact CG2-CE2 3.68Å |
| 339 | K | 97.7 | Very high | 97.5 | Very high | 126 Ų | 126 | 77.7 Ų | 77.7 | 55% | 0.548 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.6 | -44.9 | 175 | -72 | 177.5 | -178.4 | 174.5 | 0 | 111.7 | Q335 A336 D337 M341 Q342 D343 | Q335-K339 WeakPolarHBondContact O-CG 3.39Å; Q335-K339 PolarHBondContact O-N 3.08Å; A336-K339 PolarHBondContact O-N 3.03Å; D337-K339 VanDerWaalsContact C-N 3.32Å; D337-K339 PolarHBondContact O-N 2.83Å; K339-M341 VanDerWaalsContact C-N 3.31Å; K339-M341 PolarHBondContact O-N 3.27Å; K339-Q342 WeakPolarHBondContact O-CB 3.36Å; K339-Q342 PolarHBondContact O-N 3.35Å; K339-Q342 VanDerWaalsContact O-N 3.15Å; K339-D343 PolarHBondContact O-N 3.35Å |
| 340 | R | 98.3 | Very high | 97.5 | Very high | 167 Ų | 167 | 81.2 Ų | 81.2 | 63% | 0.63 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -58.3 | -42.9 | 175.3 | -175.9 | -171.9 | -66.9 | -164.2 | -1.4 | 111.5 | A336 D337 Q342 D343 I344 | A336-R340 PolarHBondContact O-N 3.1Å; D337-R340 WeakPolarHBondContact O-CB 3.22Å; D337-R340 PolarHBondContact O-N 2.9Å; R340-Q342 VanDerWaalsContact C-N 3.35Å; R340-D343 WeakPolarHBondContact O-CB 3.32Å; R340-D343 PolarHBondContact O-N 2.8Å; R340-I344 HydrophobicContact CG-CD1 4.45Å; R340-I344 WeakPolarHBondContact O-CG1 3.39Å; R340-I344 PolarHBondContact O-N 3.42Å |
| 341 | M | 97.3 | Very high | 97.4 | Very high | 63 Ų | 63 | 80.7 Ų | 80.7 | 31% | 0.31 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.8 | -39.1 | 177.1 | -162.3 | 97.9 | 63.7 | 0 | 0 | 111.9 | D337 V338 K339 D343 I344 M345 M385 | D337-M341 PolarHBondContact O-N 2.84Å; V338-M341 PolarHBondContact O-N 3.31Å; K339-M341 VanDerWaalsContact C-N 3.31Å; K339-M341 PolarHBondContact O-N 3.27Å; M341-D343 VanDerWaalsContact C-N 3.32Å; M341-D343 PolarHBondContact O-N 3.44Å; M341-I344 PolarHBondContact O-N 3.46Å; M341-M345 WeakPolarHBondContact O-CG 3.18Å; M341-M345 PolarHBondContact O-N 3.3Å; M341-M385 HydrophobicContact CB-SD 4.03Å; M341-M385 HydrophobicContact CE-CE 4.19Å; M341-M385 HydrophobicContact CG-CE 3.71Å; M341-M385 HydrophobicContact CG-CG 4.47Å; M341-M385 HydrophobicContact CG-SD 3.86Å; M341-M385 HydrophobicContact SD-CE 4.43Å |
| 342 | Q | 97.2 | Very high | 97.1 | Very high | 55 Ų | 55 | 84 Ų | 84 | 26% | 0.257 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.7 | -39.7 | 172.5 | -70 | 173.5 | 7.2 | 0 | 0 | 112 | V338 K339 R340 M345 R346 M385 T389 | V338-Q342 WeakPolarHBondContact O-CG 3.38Å; V338-Q342 PolarHBondContact O-N 3.48Å; K339-Q342 WeakPolarHBondContact O-CB 3.36Å; K339-Q342 PolarHBondContact O-N 3.35Å; K339-Q342 VanDerWaalsContact O-N 3.15Å; R340-Q342 VanDerWaalsContact C-N 3.35Å; Q342-M345 HydrophobicContact CB-CE 4.28Å; Q342-M345 HydrophobicContact CG-CE 3.95Å; Q342-M345 PolarHBondContact O-N 3.15Å; Q342-R346 WeakPolarHBondContact O-CG 3.37Å; Q342-R346 PolarHBondContact O-N 3.33Å; Q342-M385 HydrophobicContact CG-CB 3.92Å; Q342-M385 HydrophobicContact CG-CG 4.34Å; Q342-T389 PolarHBondContact NE2-OG1 3.37Å; Q342-T389 VanDerWaalsContact NE2-OG1 3.15Å |
| 343 | D | 97.7 | Very high | 96.9 | Very high | 80 Ų | 80 | 83.4 Ų | 83.4 | 43% | 0.428 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63.2 | -42.7 | 174.3 | -67.7 | -28.8 | 0 | 0 | 0 | 112.3 | K339 R340 M341 M345 R346 S347 | K339-D343 PolarHBondContact O-N 3.35Å; R340-D343 WeakPolarHBondContact O-CB 3.32Å; R340-D343 PolarHBondContact O-N 2.8Å; M341-D343 VanDerWaalsContact C-N 3.32Å; M341-D343 PolarHBondContact O-N 3.44Å; D343-M345 PolarHBondContact O-N 2.82Å; D343-R346 PolarHBondContact O-N 3.47Å; D343-R346 IonicContact OD1-CZ 3.96Å; D343-R346 IonicContact OD1-NE 2.74Å; D343-R346 PolarHBondContact OD1-NE 3.24Å; D343-R346 IonicContact OD1-NH2 3.25Å; D343-R346 PolarHBondContact OD1-NH2 3.24Å; D343-S347 PolarHBondContact O-N 3.04Å |
| 344 | I | 97.4 | Very high | 96.8 | Very high | 84 Ų | 84 | 80.2 Ų | 80.2 | 43% | 0.431 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -59.9 | -48.2 | 175.6 | -67.2 | 166.8 | 0 | 0 | 0 | 110.2 | R340 M341 R346 S347 L348 | R340-I344 HydrophobicContact CG-CD1 4.45Å; R340-I344 WeakPolarHBondContact O-CG1 3.39Å; R340-I344 PolarHBondContact O-N 3.42Å; M341-I344 PolarHBondContact O-N 3.46Å; I344-R346 VanDerWaalsContact C-N 3.34Å; I344-R346 PolarHBondContact O-N 3.06Å; I344-S347 PolarHBondContact O-N 3.41Å; I344-S347 VanDerWaalsContact O-N 3.07Å; I344-S347 PolarHBondContact O-OG 3.27Å; I344-L348 HydrophobicContact CG2-CD1 4.08Å; I344-L348 HydrophobicContact CG2-CG 4.32Å; I344-L348 WeakPolarHBondContact O-CG 3.37Å; I344-L348 PolarHBondContact O-N 2.91Å |
| 345 | M | 96.7 | Very high | 96.5 | Very high | 11 Ų | 11 | 85.5 Ų | 85.5 | 5% | 0.054 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -58 | -44.3 | 177 | -70.9 | -172.4 | -62.2 | 0 | 0 | 112.4 | M341 Q342 D343 S347 L348 E349 L378 L381 R382 M385 | M341-M345 WeakPolarHBondContact O-CG 3.18Å; M341-M345 PolarHBondContact O-N 3.3Å; Q342-M345 HydrophobicContact CB-CE 4.28Å; Q342-M345 HydrophobicContact CG-CE 3.95Å; Q342-M345 PolarHBondContact O-N 3.15Å; D343-M345 PolarHBondContact O-N 2.82Å; M345-S347 VanDerWaalsContact C-N 3.29Å; M345-S347 PolarHBondContact O-N 2.96Å; M345-L348 PolarHBondContact O-N 3.46Å; M345-E349 PolarHBondContact O-N 3.35Å; M345-L378 HydrophobicContact CB-CD2 3.69Å; M345-L378 HydrophobicContact CG-CD2 3.97Å; M345-L378 HydrophobicContact SD-CD2 4.23Å; M345-L381 HydrophobicContact SD-CB 3.64Å; M345-L381 HydrophobicContact SD-CD2 4.43Å; M345-R382 HydrophobicContact CE-CG 4.22Å; M345-R382 HydrophobicContact SD-CG 4.45Å; M345-M385 HydrophobicContact CE-CB 3.98Å; M345-M385 HydrophobicContact CE-CG 3.44Å; M345-M385 VanDerWaalsContact CE-CG 3.44Å; M345-M385 HydrophobicContact SD-CG 4.33Å |
| 346 | R | 97 | Very high | 96.2 | Very high | 134 Ų | 134 | 87.9 Ų | 87.9 | 51% | 0.506 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -60.4 | -38.9 | 174.7 | -72.5 | -170.8 | -79.7 | -158.9 | -3.6 | 112.1 | Q342 D343 I344 K350 | Q342-R346 WeakPolarHBondContact O-CG 3.37Å; Q342-R346 PolarHBondContact O-N 3.33Å; D343-R346 PolarHBondContact O-N 3.47Å; D343-R346 IonicContact OD1-CZ 3.96Å; D343-R346 IonicContact OD1-NE 2.74Å; D343-R346 PolarHBondContact OD1-NE 3.24Å; D343-R346 IonicContact OD1-NH2 3.25Å; D343-R346 PolarHBondContact OD1-NH2 3.24Å; I344-R346 VanDerWaalsContact C-N 3.34Å; I344-R346 PolarHBondContact O-N 3.06Å; R346-K350 WeakPolarHBondContact O-CG 3.46Å; R346-K350 PolarHBondContact O-N 3.02Å |
| 347 | S | 97.5 | Very high | 95.9 | Very high | 64 Ų | 64 | 88.7 Ų | 88.7 | 45% | 0.448 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -69.6 | -37.9 | 177.4 | 77.7 | 0 | 0 | 0 | 0 | 112.7 | D343 I344 M345 K350 L351 | D343-S347 PolarHBondContact O-N 3.04Å; I344-S347 PolarHBondContact O-N 3.41Å; I344-S347 VanDerWaalsContact O-N 3.07Å; I344-S347 PolarHBondContact O-OG 3.27Å; M345-S347 VanDerWaalsContact C-N 3.29Å; M345-S347 PolarHBondContact O-N 2.96Å; S347-K350 PolarHBondContact O-N 2.86Å; S347-L351 WeakPolarHBondContact O-CB 3.28Å; S347-L351 PolarHBondContact O-N 3.49Å |
| 348 | L | 96.5 | Very high | 95.6 | Very high | 81 Ų | 81 | 87 Ų | 87 | 42% | 0.424 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -66.2 | -41.9 | 176.8 | -72.3 | 174.9 | 0 | 0 | 0 | 111.9 | I344 M345 L351 R352 | I344-L348 HydrophobicContact CG2-CD1 4.08Å; I344-L348 HydrophobicContact CG2-CG 4.32Å; I344-L348 WeakPolarHBondContact O-CG 3.37Å; I344-L348 PolarHBondContact O-N 2.91Å; M345-L348 PolarHBondContact O-N 3.46Å; L348-L351 PolarHBondContact O-N 2.93Å; L348-R352 PolarHBondContact O-N 2.99Å |
| 349 | E | 95.5 | Very high | 95.2 | Very high | 78 Ų | 78 | 87.6 Ų | 87.6 | 36% | 0.364 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -60.4 | -47.2 | 175.7 | -172.2 | 164.4 | -136.3 | 0 | 0 | 111.1 | M345 L351 R352 Q353 L378 R382 | M345-E349 PolarHBondContact O-N 3.35Å; E349-L351 PolarHBondContact O-N 3.43Å; E349-R352 PolarHBondContact O-N 2.95Å; E349-Q353 WeakPolarHBondContact O-CB 3.49Å; E349-Q353 PolarHBondContact O-N 3.02Å; E349-L378 HydrophobicContact CB-CD1 3.93Å; E349-L378 HydrophobicContact CG-CD1 4.26Å; E349-R382 IonicContact OE1-CZ 3.21Å; E349-R382 IonicContact OE1-NH1 3.53Å; E349-R382 PolarHBondContact OE1-NH1 3.44Å; E349-R382 IonicContact OE1-NH2 3.68Å; E349-R382 PolarHBondContact OE1-NH2 3.01Å; E349-R382 IonicContact OE2-CZ 3.69Å; E349-R382 IonicContact OE2-NH1 2.94Å; E349-R382 PolarHBondContact OE2-NH1 3.49Å; E349-R382 IonicContact OE2-NH2 3.1Å |
| 350 | K | 96.8 | Very high | 94.8 | Very high | 147 Ų | 147 | 85.8 Ų | 85.8 | 64% | 0.639 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -60.1 | -45.8 | 173.9 | -71.8 | 175.4 | -178.3 | -177.1 | 0 | 112.4 | R346 S347 R352 Q353 L354 | R346-K350 WeakPolarHBondContact O-CG 3.46Å; R346-K350 PolarHBondContact O-N 3.02Å; S347-K350 PolarHBondContact O-N 2.86Å; K350-R352 VanDerWaalsContact C-N 3.3Å; K350-R352 PolarHBondContact O-N 3.38Å; K350-Q353 PolarHBondContact O-N 3.24Å; K350-L354 WeakPolarHBondContact O-CG 3.2Å; K350-L354 PolarHBondContact O-N 2.83Å |
| 351 | L | 95.9 | Very high | 94.5 | Very high | 76 Ų | 76 | 88 Ų | 88 | 40% | 0.398 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -60.4 | -41.9 | 179.4 | 179.1 | 62.2 | 0 | 0 | 0 | 111.3 | S347 L348 E349 R355 | S347-L351 WeakPolarHBondContact O-CB 3.28Å; S347-L351 PolarHBondContact O-N 3.49Å; L348-L351 PolarHBondContact O-N 2.93Å; E349-L351 PolarHBondContact O-N 3.43Å; L351-R355 WeakPolarHBondContact O-CG 3.46Å; L351-R355 PolarHBondContact O-N 3.05Å; L351-R355 VanDerWaalsContact O-N 3.08Å |
| 352 | R | 92.7 | Very high | 94.2 | Very high | 70 Ų | 70 | 92.8 Ų | 92.8 | 26% | 0.264 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -67 | -42.8 | 177 | -170.2 | 174.5 | -177.9 | 131.8 | -6.3 | 111.8 | L348 E349 K350 L354 R355 K356 C370 D371 F374 | L348-R352 PolarHBondContact O-N 2.99Å; E349-R352 PolarHBondContact O-N 2.95Å; K350-R352 VanDerWaalsContact C-N 3.3Å; K350-R352 PolarHBondContact O-N 3.38Å; R352-L354 VanDerWaalsContact C-N 3.33Å; R352-L354 PolarHBondContact O-N 3.35Å; R352-R355 PolarHBondContact O-N 3.27Å; R352-R355 VanDerWaalsContact O-N 3.16Å; R352-K356 PolarHBondContact O-N 3.32Å; R352-C370 PolarHBondContact NH2-O 3.32Å; R352-D371 IonicContact CZ-OD1 3.38Å; R352-D371 IonicContact NE-OD1 2.61Å; R352-D371 PolarHBondContact NE-OD1 3.41Å; R352-D371 VanDerWaalsContact NE-OD1 3.13Å; R352-D371 VanDerWaalsContact NH2-CA 3.35Å; R352-D371 IonicContact NH2-OD1 2.97Å; R352-D371 PolarHBondContact NH2-OD1 3.35Å; R352-F374 HydrophobicContact CB-CE1 3.96Å; R352-F374 HydrophobicContact CB-CZ 4.11Å; R352-F374 HydrophobicContact CG-CD1 4.47Å; R352-F374 HydrophobicContact CG-CE1 4.2Å |
| 353 | Q | 92.6 | Very high | 93.6 | Very high | 98 Ų | 98 | 93.6 Ų | 93.6 | 46% | 0.458 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -57.9 | -46 | 176.4 | -175.7 | 60.5 | 22.5 | 0 | 0 | 111.5 | E349 K350 R355 K356 E357 | E349-Q353 WeakPolarHBondContact O-CB 3.49Å; E349-Q353 PolarHBondContact O-N 3.02Å; K350-Q353 PolarHBondContact O-N 3.24Å; Q353-R355 VanDerWaalsContact C-N 3.34Å; Q353-R355 PolarHBondContact O-N 3Å; Q353-K356 WeakPolarHBondContact O-CB 3.5Å; Q353-K356 PolarHBondContact O-N 3.03Å; Q353-E357 WeakPolarHBondContact CG-OE1 3.44Å; Q353-E357 PolarHBondContact NE2-OE1 3.19Å; Q353-E357 WeakPolarHBondContact O-CG 3.36Å; Q353-E357 PolarHBondContact O-N 2.94Å |
| 354 | L | 95 | Very high | 92.9 | Very high | 108 Ų | 108 | 94.9 Ų | 94.9 | 57% | 0.565 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -61.4 | -40.2 | 175.5 | -71 | 172.1 | 0 | 0 | 0 | 112.7 | K350 R352 E357 A358 | K350-L354 WeakPolarHBondContact O-CG 3.2Å; K350-L354 PolarHBondContact O-N 2.83Å; R352-L354 VanDerWaalsContact C-N 3.33Å; R352-L354 PolarHBondContact O-N 3.35Å; L354-E357 PolarHBondContact O-N 3.35Å; L354-A358 VanDerWaalsContact O-CB 3.31Å; L354-A358 WeakPolarHBondContact O-CB 3.11Å; L354-A358 PolarHBondContact O-N 3.46Å |
| 355 | R | 92.7 | Very high | 91.7 | Very high | 170 Ų | 170 | 94.3 Ų | 94.3 | 64% | 0.642 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -65.2 | -40.1 | 176 | -74 | 175.7 | -179.4 | 177.6 | 0.3 | 111.9 | L351 R352 Q353 A358 A359 | L351-R355 WeakPolarHBondContact O-CG 3.46Å; L351-R355 PolarHBondContact O-N 3.05Å; L351-R355 VanDerWaalsContact O-N 3.08Å; R352-R355 PolarHBondContact O-N 3.27Å; R352-R355 VanDerWaalsContact O-N 3.16Å; Q353-R355 VanDerWaalsContact C-N 3.34Å; Q353-R355 PolarHBondContact O-N 3Å; R355-A358 PolarHBondContact O-N 2.86Å; R355-A359 WeakPolarHBondContact O-CB 3.18Å; R355-A359 PolarHBondContact O-N 2.81Å |
| 356 | K | 91.5 | Very high | 90.6 | Very high | 86 Ų | 86 | 96.7 Ų | 96.7 | 37% | 0.374 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.5 | -46.2 | 175.7 | -177.4 | 172.4 | -178.8 | 161 | 0 | 111.5 | R352 Q353 A358 A359 S360 D371 | R352-K356 PolarHBondContact O-N 3.32Å; Q353-K356 WeakPolarHBondContact O-CB 3.5Å; Q353-K356 PolarHBondContact O-N 3.03Å; K356-A358 PolarHBondContact O-N 3.2Å; K356-A359 PolarHBondContact O-N 2.93Å; K356-S360 WeakPolarHBondContact O-CB 3.16Å; K356-S360 PolarHBondContact O-N 3.38Å; K356-D371 WeakPolarHBondContact CD-OD2 3.42Å; K356-D371 WeakPolarHBondContact CE-OD2 3.19Å; K356-D371 IonicContact NZ-OD2 2.78Å; K356-D371 PolarHBondContact NZ-OD2 2.84Å |
| 357 | E | 91.4 | Very high | 89.9 | Confident | 74 Ų | 74 | 96.4 Ų | 96.4 | 35% | 0.346 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.3 | -42.3 | 175.6 | -72.3 | 171.7 | -163.4 | 0 | 0 | 112 | Q353 L354 S360 R361 | Q353-E357 WeakPolarHBondContact CG-OE1 3.44Å; Q353-E357 PolarHBondContact NE2-OE1 3.19Å; Q353-E357 WeakPolarHBondContact O-CG 3.36Å; Q353-E357 PolarHBondContact O-N 2.94Å; L354-E357 PolarHBondContact O-N 3.35Å; E357-S360 PolarHBondContact O-N 2.9Å; E357-R361 WeakPolarHBondContact O-CG 3.48Å; E357-R361 PolarHBondContact O-N 2.8Å |
| 358 | A | 92.1 | Very high | 89.2 | Confident | 49 Ų | 49 | 99.3 Ų | 99.3 | 41% | 0.405 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.1 | -38.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L354 R355 K356 K362 | L354-A358 VanDerWaalsContact O-CB 3.31Å; L354-A358 WeakPolarHBondContact O-CB 3.11Å; L354-A358 PolarHBondContact O-N 3.46Å; R355-A358 PolarHBondContact O-N 2.86Å; K356-A358 PolarHBondContact O-N 3.2Å; A358-K362 WeakPolarHBondContact O-CG 3.39Å; A358-K362 PolarHBondContact O-N 2.82Å |
| 359 | A | 89.9 | Confident | 88.6 | Confident | 19 Ų | 19 | 102.3 Ų | 102.3 | 16% | 0.157 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -67.8 | -43.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | R355 K356 R361 K362 G363 I364 T366 | R355-A359 WeakPolarHBondContact O-CB 3.18Å; R355-A359 PolarHBondContact O-N 2.81Å; K356-A359 PolarHBondContact O-N 2.93Å; A359-R361 VanDerWaalsContact C-N 3.35Å; A359-R361 PolarHBondContact O-N 3.29Å; A359-K362 CarbonylContact O-C 3.6Å; A359-K362 WeakPolarHBondContact O-CA 3.44Å; A359-K362 WeakPolarHBondContact O-CB 3.24Å; A359-K362 PolarHBondContact O-N 3.39Å; A359-G363 PolarHBondContact O-N 2.99Å; A359-I364 CarbonylContact C-O 3.44Å; A359-I364 VanDerWaalsContact C-O 3.3Å; A359-I364 PolarHBondContact O-N 3.36Å; A359-T366 HydrophobicContact CB-CG2 3.97Å |
| 360 | S | 88.6 | Confident | 88.1 | Confident | 87 Ų | 87 | 101.7 Ų | 101.7 | 61% | 0.608 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -59 | -43.1 | 176 | 177.5 | 0 | 0 | 0 | 0 | 112.2 | K356 E357 K362 G363 | K356-S360 WeakPolarHBondContact O-CB 3.16Å; K356-S360 PolarHBondContact O-N 3.38Å; E357-S360 PolarHBondContact O-N 2.9Å; S360-K362 PolarHBondContact O-N 3.16Å; S360-G363 PolarHBondContact O-N 2.95Å |
| 361 | R | 91.7 | Very high | 87.7 | Confident | 213 Ų | 213 | 95.9 Ų | 95.9 | 80% | 0.804 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62 | -26.2 | 174.2 | -71.8 | 179.1 | -166.2 | -170.7 | 5.9 | 113.6 | E357 A359 G363 | E357-R361 WeakPolarHBondContact O-CG 3.48Å; E357-R361 PolarHBondContact O-N 2.8Å; A359-R361 VanDerWaalsContact C-N 3.35Å; A359-R361 PolarHBondContact O-N 3.29Å; R361-G363 VanDerWaalsContact C-N 3.31Å |
| 362 | K | 91.8 | Very high | 87.5 | Confident | 164 Ų | 164 | 98.2 Ų | 98.2 | 71% | 0.713 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | 1.4 | 175.3 | -68 | 177.8 | 179.6 | -174.8 | 0 | 113 | A358 A359 S360 I364 | A358-K362 WeakPolarHBondContact O-CG 3.39Å; A358-K362 PolarHBondContact O-N 2.82Å; A359-K362 CarbonylContact O-C 3.6Å; A359-K362 WeakPolarHBondContact O-CA 3.44Å; A359-K362 WeakPolarHBondContact O-CB 3.24Å; A359-K362 PolarHBondContact O-N 3.39Å; S360-K362 PolarHBondContact O-N 3.16Å; K362-I364 HydrophobicContact CB-CD1 4.31Å; K362-I364 HydrophobicContact CB-CG1 4.32Å; K362-I364 PolarHBondContact O-N 3.4Å |
| 363 | G | 84.6 | Confident | 87.5 | Confident | 72 Ų | 72 | 97.5 Ų | 97.5 | 74% | 0.742 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.1 | 11.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | A359 S360 R361 | A359-G363 PolarHBondContact O-N 2.99Å; S360-G363 PolarHBondContact O-N 2.95Å; R361-G363 VanDerWaalsContact C-N 3.31Å |
| 364 | I | 82.3 | Confident | 87.5 | Confident | 107 Ų | 107 | 95.2 Ų | 95.2 | 55% | 0.549 | 51% | 0.514 | S | S | . | . | trans | -95.4 | 111.8 | 178.8 | -57.2 | 173 | 0 | 0 | 0 | 107.8 | A359 K362 | A359-I364 CarbonylContact C-O 3.44Å; A359-I364 VanDerWaalsContact C-O 3.3Å; A359-I364 PolarHBondContact O-N 3.36Å; K362-I364 HydrophobicContact CB-CD1 4.31Å; K362-I364 HydrophobicContact CB-CG1 4.32Å; K362-I364 PolarHBondContact O-N 3.4Å | ||
| 365 | G | 72.2 | Confident | 87.4 | Confident | 73 Ų | 73 | 92.9 Ų | 92.9 | 75% | 0.753 | 51% | 0.506 | S | S | * | . | P | Polyproline II helix | trans | -72.3 | 127.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 366 | T | 75 | Confident | 87.6 | Confident | 61 Ų | 61 | 86.3 Ų | 86.3 | 37% | 0.374 | 49% | 0.492 | S | S | . | . | P | Polyproline II helix | trans | -80.4 | 139.6 | 169.8 | 51.5 | 0 | 0 | 0 | 0 | 110.1 | A359 L368 | A359-T366 HydrophobicContact CB-CG2 3.97Å; T366-L368 PolarHBondContact O-N 2.97Å |
| 367 | E | 82.5 | Confident | 87.8 | Confident | 128 Ų | 128 | 87.9 Ų | 87.9 | 60% | 0.598 | 50% | 0.5 | S | S | * | . | P | Polyproline II helix | trans | -64.4 | 121.5 | -178.9 | -171 | 168.6 | -160.2 | 0 | 0 | 111.5 | Q369 C370 D371 | E367-Q369 VanDerWaalsContact C-N 3.29Å; E367-Q369 PolarHBondContact O-N 3.06Å; E367-C370 PolarHBondContact O-N 3.42Å; E367-C370 VanDerWaalsContact O-N 3.16Å; E367-D371 PolarHBondContact O-N 3.16Å |
| 368 | L | 82.3 | Confident | 88 | Confident | 125 Ų | 125 | 84.8 Ų | 84.8 | 65% | 0.654 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -57.8 | -39.1 | -175 | -110.7 | 126.4 | 0 | 0 | 0 | 112.7 | T366 C370 D371 E372 | T366-L368 PolarHBondContact O-N 2.97Å; L368-C370 VanDerWaalsContact C-N 3.3Å; L368-C370 PolarHBondContact O-N 2.98Å; L368-D371 PolarHBondContact O-N 3.01Å; L368-D371 VanDerWaalsContact O-N 3.12Å; L368-E372 PolarHBondContact O-N 3.42Å |
| 369 | Q | 83.9 | Confident | 88.2 | Confident | 144 Ų | 144 | 87.7 Ų | 87.7 | 67% | 0.673 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.7 | -37.6 | 179.6 | -65.4 | -171.7 | 12 | 0 | 0 | 112.3 | E367 D371 A373 | E367-Q369 VanDerWaalsContact C-N 3.29Å; E367-Q369 PolarHBondContact O-N 3.06Å; Q369-D371 VanDerWaalsContact C-N 3.31Å; Q369-D371 PolarHBondContact O-N 3.28Å; Q369-A373 WeakPolarHBondContact O-CB 3.32Å; Q369-A373 PolarHBondContact O-N 3.27Å |
| 370 | C | 85.6 | Confident | 88.5 | Confident | 64 Ų | 64 | 93.6 Ų | 93.6 | 43% | 0.432 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.2 | -33.9 | 177.4 | -64.9 | 0 | 0 | 0 | 0 | 112.1 | R352 E367 L368 F374 | R352-C370 PolarHBondContact NH2-O 3.32Å; E367-C370 PolarHBondContact O-N 3.42Å; E367-C370 VanDerWaalsContact O-N 3.16Å; L368-C370 VanDerWaalsContact C-N 3.3Å; L368-C370 PolarHBondContact O-N 2.98Å; C370-F374 PolarHBondContact O-N 3.49Å |
| 371 | D | 87.6 | Confident | 88.9 | Confident | 26 Ų | 26 | 93.4 Ų | 93.4 | 14% | 0.139 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -70.8 | -43.1 | 178 | -80.4 | -12.2 | 0 | 0 | 0 | 111.8 | R352 K356 E367 L368 Q369 F374 S375 | R352-D371 IonicContact CZ-OD1 3.38Å; R352-D371 IonicContact NE-OD1 2.61Å; R352-D371 PolarHBondContact NE-OD1 3.41Å; R352-D371 VanDerWaalsContact NE-OD1 3.13Å; R352-D371 VanDerWaalsContact NH2-CA 3.35Å; R352-D371 IonicContact NH2-OD1 2.97Å; R352-D371 PolarHBondContact NH2-OD1 3.35Å; K356-D371 WeakPolarHBondContact CD-OD2 3.42Å; K356-D371 WeakPolarHBondContact CE-OD2 3.19Å; K356-D371 IonicContact NZ-OD2 2.78Å; K356-D371 PolarHBondContact NZ-OD2 2.84Å; E367-D371 PolarHBondContact O-N 3.16Å; L368-D371 PolarHBondContact O-N 3.01Å; L368-D371 VanDerWaalsContact O-N 3.12Å; Q369-D371 VanDerWaalsContact C-N 3.31Å; Q369-D371 PolarHBondContact O-N 3.28Å; D371-F374 PolarHBondContact O-N 2.95Å; D371-S375 PolarHBondContact O-N 2.83Å; D371-S375 PolarHBondContact O-OG 3.4Å |
| 372 | E | 91 | Very high | 89.2 | Confident | 124 Ų | 124 | 86.6 Ų | 86.6 | 58% | 0.579 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -64.7 | -41.4 | 174.3 | -70 | 177.7 | 173.9 | 0 | 0 | 112.1 | L368 F374 S375 G376 | L368-E372 PolarHBondContact O-N 3.42Å; E372-F374 VanDerWaalsContact C-N 3.31Å; E372-F374 PolarHBondContact O-N 3.04Å; E372-S375 WeakPolarHBondContact CA-OG 3.28Å; E372-S375 PolarHBondContact O-N 3.3Å; E372-S375 PolarHBondContact O-OG 2.74Å; E372-G376 PolarHBondContact O-N 2.75Å |
| 373 | A | 92.5 | Very high | 89.4 | Confident | 55 Ų | 55 | 79.8 Ų | 79.8 | 46% | 0.455 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.3 | -40.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q369 Q377 | Q369-A373 WeakPolarHBondContact O-CB 3.32Å; Q369-A373 PolarHBondContact O-N 3.27Å; A373-Q377 VanDerWaalsContact O-CG 3.32Å; A373-Q377 WeakPolarHBondContact O-CG 3.36Å; A373-Q377 PolarHBondContact O-N 2.86Å |
| 374 | F | 93.8 | Very high | 90.1 | Very high | 51 Ų | 51 | 78.6 Ų | 78.6 | 22% | 0.224 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -72.4 | -43.5 | 178.5 | 175.4 | -94.9 | 0 | 0 | 0 | 113.4 | R352 C370 D371 E372 G376 Q377 L378 | R352-F374 HydrophobicContact CB-CE1 3.96Å; R352-F374 HydrophobicContact CB-CZ 4.11Å; R352-F374 HydrophobicContact CG-CD1 4.47Å; R352-F374 HydrophobicContact CG-CE1 4.2Å; C370-F374 PolarHBondContact O-N 3.49Å; D371-F374 PolarHBondContact O-N 2.95Å; E372-F374 VanDerWaalsContact C-N 3.31Å; E372-F374 PolarHBondContact O-N 3.04Å; F374-G376 VanDerWaalsContact C-N 3.28Å; F374-G376 PolarHBondContact O-N 3.31Å; F374-Q377 PolarHBondContact O-N 3.44Å; F374-L378 HydrophobicContact CD1-CD1 3.94Å; F374-L378 HydrophobicContact CE1-CD1 3.24Å; F374-L378 HydrophobicContact CE1-CG 4.25Å; F374-L378 HydrophobicContact CE2-CD1 4.46Å; F374-L378 HydrophobicContact CZ-CD1 3.55Å; F374-L378 HydrophobicContact CZ-CG 4.3Å; F374-L378 WeakPolarHBondContact O-CB 3.21Å; F374-L378 PolarHBondContact O-N 2.83Å |
| 375 | S | 93.3 | Very high | 90.8 | Very high | 59 Ų | 59 | 73.9 Ų | 73.9 | 41% | 0.413 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61.8 | -41.2 | 175.9 | 63.3 | 0 | 0 | 0 | 0 | 110.4 | D371 E372 Q377 L378 E379 | D371-S375 PolarHBondContact O-N 2.83Å; D371-S375 PolarHBondContact O-OG 3.4Å; E372-S375 WeakPolarHBondContact CA-OG 3.28Å; E372-S375 PolarHBondContact O-N 3.3Å; E372-S375 PolarHBondContact O-OG 2.74Å; S375-Q377 PolarHBondContact O-N 3.46Å; S375-L378 PolarHBondContact O-N 3.49Å; S375-E379 WeakPolarHBondContact O-CB 3.15Å; S375-E379 PolarHBondContact O-N 3.25Å |
| 376 | G | 95.8 | Very high | 92 | Very high | 32 Ų | 32 | 76.8 Ų | 76.8 | 33% | 0.33 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -58.9 | -46.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113 | E372 F374 E379 Q380 | E372-G376 PolarHBondContact O-N 2.75Å; F374-G376 VanDerWaalsContact C-N 3.28Å; F374-G376 PolarHBondContact O-N 3.31Å; G376-E379 PolarHBondContact O-N 2.78Å; G376-Q380 WeakPolarHBondContact O-CG 3.49Å; G376-Q380 PolarHBondContact O-N 2.89Å |
| 377 | Q | 95.8 | Very high | 93.1 | Very high | 119 Ų | 119 | 80.6 Ų | 80.6 | 56% | 0.556 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -64.1 | -44 | 175.9 | -74.7 | 176.9 | -5.5 | 0 | 0 | 112.4 | A373 F374 S375 E379 Q380 L381 | A373-Q377 VanDerWaalsContact O-CG 3.32Å; A373-Q377 WeakPolarHBondContact O-CG 3.36Å; A373-Q377 PolarHBondContact O-N 2.86Å; F374-Q377 PolarHBondContact O-N 3.44Å; S375-Q377 PolarHBondContact O-N 3.46Å; Q377-E379 VanDerWaalsContact C-N 3.28Å; Q377-E379 PolarHBondContact O-N 3.39Å; Q377-Q380 PolarHBondContact O-N 2.95Å; Q377-L381 WeakPolarHBondContact O-CB 3.33Å; Q377-L381 WeakPolarHBondContact O-CD1 3.25Å; Q377-L381 PolarHBondContact O-N 3.42Å |
| 378 | L | 96 | Very high | 93.8 | Very high | 8 Ų | 8 | 79.8 Ų | 79.8 | 4% | 0.042 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -60 | -39.9 | 176 | -111.6 | 172.4 | 0 | 0 | 0 | 111.7 | M345 E349 F374 S375 L381 R382 | M345-L378 HydrophobicContact CB-CD2 3.69Å; M345-L378 HydrophobicContact CG-CD2 3.97Å; M345-L378 HydrophobicContact SD-CD2 4.23Å; E349-L378 HydrophobicContact CB-CD1 3.93Å; E349-L378 HydrophobicContact CG-CD1 4.26Å; F374-L378 HydrophobicContact CD1-CD1 3.94Å; F374-L378 HydrophobicContact CE1-CD1 3.24Å; F374-L378 HydrophobicContact CE1-CG 4.25Å; F374-L378 HydrophobicContact CE2-CD1 4.46Å; F374-L378 HydrophobicContact CZ-CD1 3.55Å; F374-L378 HydrophobicContact CZ-CG 4.3Å; F374-L378 WeakPolarHBondContact O-CB 3.21Å; F374-L378 PolarHBondContact O-N 2.83Å; S375-L378 PolarHBondContact O-N 3.49Å; L378-L381 PolarHBondContact O-N 2.81Å; L378-R382 WeakPolarHBondContact O-CB 3.44Å; L378-R382 PolarHBondContact O-N 3.32Å |
| 379 | E | 96.1 | Very high | 94.5 | Very high | 110 Ų | 110 | 76.4 Ų | 76.4 | 51% | 0.514 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -70.2 | -39.6 | -179.6 | -159 | 56.2 | -144 | 0 | 0 | 111.8 | S375 G376 Q377 L381 R382 G383 | S375-E379 WeakPolarHBondContact O-CB 3.15Å; S375-E379 PolarHBondContact O-N 3.25Å; G376-E379 PolarHBondContact O-N 2.78Å; Q377-E379 VanDerWaalsContact C-N 3.28Å; Q377-E379 PolarHBondContact O-N 3.39Å; E379-L381 VanDerWaalsContact C-N 3.35Å; E379-L381 PolarHBondContact O-N 3.19Å; E379-R382 PolarHBondContact O-N 3.29Å; E379-R382 IonicContact OE2-CZ 3.44Å; E379-R382 IonicContact OE2-NE 3.82Å; E379-R382 PolarHBondContact OE2-NE 2.84Å; E379-R382 IonicContact OE2-NH2 3.76Å; E379-R382 PolarHBondContact OE2-NH2 3.45Å; E379-G383 PolarHBondContact O-N 3.15Å |
| 380 | Q | 97.1 | Very high | 95.2 | Very high | 144 Ų | 144 | 74.6 Ų | 74.6 | 67% | 0.673 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -59.7 | -45.7 | 171.1 | -71.8 | 178.5 | 9.3 | 0 | 0 | 111.6 | G376 Q377 G383 V384 | G376-Q380 WeakPolarHBondContact O-CG 3.49Å; G376-Q380 PolarHBondContact O-N 2.89Å; Q377-Q380 PolarHBondContact O-N 2.95Å; Q380-G383 PolarHBondContact O-N 3.22Å; Q380-V384 WeakPolarHBondContact O-CG2 3.38Å; Q380-V384 PolarHBondContact O-N 3.11Å |
| 381 | L | 96.9 | Very high | 95.8 | Very high | 82 Ų | 82 | 77.1 Ų | 77.1 | 43% | 0.429 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.8 | -42.2 | 176.3 | -93.2 | 141 | 0 | 0 | 0 | 112.1 | M345 Q377 L378 E379 G383 V384 M385 | M345-L381 HydrophobicContact SD-CB 3.64Å; M345-L381 HydrophobicContact SD-CD2 4.43Å; Q377-L381 WeakPolarHBondContact O-CB 3.33Å; Q377-L381 WeakPolarHBondContact O-CD1 3.25Å; Q377-L381 PolarHBondContact O-N 3.42Å; L378-L381 PolarHBondContact O-N 2.81Å; E379-L381 VanDerWaalsContact C-N 3.35Å; E379-L381 PolarHBondContact O-N 3.19Å; L381-G383 VanDerWaalsContact C-N 3.32Å; L381-G383 PolarHBondContact O-N 3.24Å; L381-V384 PolarHBondContact O-N 2.88Å; L381-M385 HydrophobicContact CD2-CE 4.44Å; L381-M385 WeakPolarHBondContact O-CG 3.24Å; L381-M385 PolarHBondContact O-N 2.89Å |
| 382 | R | 96.8 | Very high | 96.3 | Very high | 70 Ų | 70 | 78.5 Ų | 78.5 | 26% | 0.264 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -57.7 | -44.6 | 171.2 | -90.3 | -171.1 | -87.1 | -103.3 | 6.7 | 111.6 | M345 E349 L378 E379 V384 M385 K386 | M345-R382 HydrophobicContact CE-CG 4.22Å; M345-R382 HydrophobicContact SD-CG 4.45Å; E349-R382 IonicContact OE1-CZ 3.21Å; E349-R382 IonicContact OE1-NH1 3.53Å; E349-R382 PolarHBondContact OE1-NH1 3.44Å; E349-R382 IonicContact OE1-NH2 3.68Å; E349-R382 PolarHBondContact OE1-NH2 3.01Å; E349-R382 IonicContact OE2-CZ 3.69Å; E349-R382 IonicContact OE2-NH1 2.94Å; E349-R382 PolarHBondContact OE2-NH1 3.49Å; E349-R382 IonicContact OE2-NH2 3.1Å; L378-R382 WeakPolarHBondContact O-CB 3.44Å; L378-R382 PolarHBondContact O-N 3.32Å; E379-R382 PolarHBondContact O-N 3.29Å; E379-R382 IonicContact OE2-CZ 3.44Å; E379-R382 IonicContact OE2-NE 3.82Å; E379-R382 PolarHBondContact OE2-NE 2.84Å; E379-R382 IonicContact OE2-NH2 3.76Å; E379-R382 PolarHBondContact OE2-NH2 3.45Å; R382-V384 VanDerWaalsContact C-N 3.33Å; R382-V384 PolarHBondContact O-N 2.97Å; R382-M385 PolarHBondContact O-N 2.95Å; R382-K386 WeakPolarHBondContact O-CB 3.46Å; R382-K386 PolarHBondContact O-N 2.86Å |
| 383 | G | 97.3 | Very high | 96.6 | Very high | 21 Ų | 21 | 74.4 Ų | 74.4 | 22% | 0.216 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -58.4 | -42.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | E379 Q380 L381 R387 | E379-G383 PolarHBondContact O-N 3.15Å; Q380-G383 PolarHBondContact O-N 3.22Å; L381-G383 VanDerWaalsContact C-N 3.32Å; L381-G383 PolarHBondContact O-N 3.24Å; G383-R387 WeakPolarHBondContact O-CG 3.31Å; G383-R387 PolarHBondContact O-N 3Å; G383-R387 VanDerWaalsContact O-N 3.15Å |
| 384 | V | 97.4 | Very high | 96.8 | Very high | 48 Ų | 48 | 74.4 Ų | 74.4 | 29% | 0.291 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.7 | -46.1 | 174.5 | 174.1 | 0 | 0 | 0 | 0 | 111.4 | Q380 L381 R382 K386 R387 R388 | Q380-V384 WeakPolarHBondContact O-CG2 3.38Å; Q380-V384 PolarHBondContact O-N 3.11Å; L381-V384 PolarHBondContact O-N 2.88Å; R382-V384 VanDerWaalsContact C-N 3.33Å; R382-V384 PolarHBondContact O-N 2.97Å; V384-K386 VanDerWaalsContact C-N 3.34Å; V384-K386 PolarHBondContact O-N 3.21Å; V384-R387 PolarHBondContact O-N 3.01Å; V384-R388 WeakPolarHBondContact O-CG 3.45Å; V384-R388 PolarHBondContact O-N 2.96Å |
| 385 | M | 97.5 | Very high | 96.9 | Very high | 7 Ų | 7 | 75.5 Ų | 75.5 | 3% | 0.034 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -66.7 | -35.2 | -179.7 | -65.2 | -53.1 | 142.9 | 0 | 0 | 112.6 | V338 M341 Q342 M345 L381 R382 R388 T389 | V338-M385 HydrophobicContact CG1-CB 4.27Å; V338-M385 HydrophobicContact CG1-SD 4.24Å; M341-M385 HydrophobicContact CB-SD 4.03Å; M341-M385 HydrophobicContact CE-CE 4.19Å; M341-M385 HydrophobicContact CG-CE 3.71Å; M341-M385 HydrophobicContact CG-CG 4.47Å; M341-M385 HydrophobicContact CG-SD 3.86Å; M341-M385 HydrophobicContact SD-CE 4.43Å; Q342-M385 HydrophobicContact CG-CB 3.92Å; Q342-M385 HydrophobicContact CG-CG 4.34Å; M345-M385 HydrophobicContact CE-CB 3.98Å; M345-M385 HydrophobicContact CE-CG 3.44Å; M345-M385 VanDerWaalsContact CE-CG 3.44Å; M345-M385 HydrophobicContact SD-CG 4.33Å; L381-M385 HydrophobicContact CD2-CE 4.44Å; L381-M385 WeakPolarHBondContact O-CG 3.24Å; L381-M385 PolarHBondContact O-N 2.89Å; R382-M385 PolarHBondContact O-N 2.95Å; M385-R388 PolarHBondContact O-N 3.49Å; M385-T389 WeakPolarHBondContact O-CB 3.42Å; M385-T389 PolarHBondContact O-N 3.25Å; M385-T389 PolarHBondContact O-OG1 2.7Å |
| 386 | K | 97.4 | Very high | 97 | Very high | 134 Ų | 134 | 74.6 Ų | 74.6 | 58% | 0.583 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -61.8 | -50.3 | 174.4 | -173.1 | 179 | 177.2 | -176 | 0 | 111 | R382 V384 R388 T389 E390 | R382-K386 WeakPolarHBondContact O-CB 3.46Å; R382-K386 PolarHBondContact O-N 2.86Å; V384-K386 VanDerWaalsContact C-N 3.34Å; V384-K386 PolarHBondContact O-N 3.21Å; K386-R388 PolarHBondContact O-N 2.86Å; K386-T389 WeakPolarHBondContact O-CB 3.5Å; K386-T389 PolarHBondContact O-N 2.89Å; K386-T389 VanDerWaalsContact O-N 3.14Å; K386-E390 VanDerWaalsContact CE-OE1 3.3Å; K386-E390 WeakPolarHBondContact CE-OE1 3.49Å; K386-E390 WeakPolarHBondContact O-CG 3.42Å; K386-E390 PolarHBondContact O-N 3.27Å |
| 387 | R | 97.9 | Very high | 97 | Very high | 142 Ų | 142 | 79.8 Ų | 79.8 | 54% | 0.536 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -58 | -45.3 | 175.5 | -71.9 | -172.8 | -67.5 | -92.5 | 3.6 | 112.3 | G383 V384 T389 E390 L391 | G383-R387 WeakPolarHBondContact O-CG 3.31Å; G383-R387 PolarHBondContact O-N 3Å; G383-R387 VanDerWaalsContact O-N 3.15Å; V384-R387 PolarHBondContact O-N 3.01Å; R387-T389 VanDerWaalsContact C-N 3.31Å; R387-T389 PolarHBondContact O-N 3.43Å; R387-E390 PolarHBondContact O-N 2.99Å; R387-L391 VanDerWaalsContact O-CG 3.32Å; R387-L391 WeakPolarHBondContact O-CG 3.31Å; R387-L391 PolarHBondContact O-N 3Å |
| 388 | R | 97.5 | Very high | 97 | Very high | 110 Ų | 110 | 76.7 Ų | 76.7 | 42% | 0.415 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.7 | -36.9 | 176.9 | -73.8 | -178.2 | 176.2 | -179.6 | -1.2 | 112.7 | V338 V384 M385 K386 Y392 | V338-R388 HydrophobicContact CG2-CB 4.01Å; V384-R388 WeakPolarHBondContact O-CG 3.45Å; V384-R388 PolarHBondContact O-N 2.96Å; M385-R388 PolarHBondContact O-N 3.49Å; K386-R388 PolarHBondContact O-N 2.86Å; R388-Y392 HydrophobicContact CB-CE2 4.2Å; R388-Y392 WeakPolarHBondContact O-CD2 3.42Å; R388-Y392 PolarHBondContact O-N 3.24Å |
| 389 | T | 97.9 | Very high | 97 | Very high | 55 Ų | 55 | 78 Ų | 78 | 34% | 0.337 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.9 | -47.2 | 175.7 | -54.7 | 0 | 0 | 0 | 0 | 110.8 | V338 Q342 M385 K386 R387 S393 | V338-T389 VanDerWaalsContact CG1-OG1 3.3Å; V338-T389 WeakPolarHBondContact CG1-OG1 3.44Å; Q342-T389 PolarHBondContact NE2-OG1 3.37Å; Q342-T389 VanDerWaalsContact NE2-OG1 3.15Å; M385-T389 WeakPolarHBondContact O-CB 3.42Å; M385-T389 PolarHBondContact O-N 3.25Å; M385-T389 PolarHBondContact O-OG1 2.7Å; K386-T389 WeakPolarHBondContact O-CB 3.5Å; K386-T389 PolarHBondContact O-N 2.89Å; K386-T389 VanDerWaalsContact O-N 3.14Å; R387-T389 VanDerWaalsContact C-N 3.31Å; R387-T389 PolarHBondContact O-N 3.43Å; T389-S393 WeakPolarHBondContact O-CB 3.32Å; T389-S393 PolarHBondContact O-N 3.39Å |
| 390 | E | 97.6 | Very high | 96.8 | Very high | 106 Ų | 106 | 75.9 Ų | 75.9 | 50% | 0.495 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -61.1 | -46.7 | 178.5 | -70.3 | 164.9 | -173 | 0 | 0 | 111.3 | K386 R387 S393 A394 | K386-E390 VanDerWaalsContact CE-OE1 3.3Å; K386-E390 WeakPolarHBondContact CE-OE1 3.49Å; K386-E390 WeakPolarHBondContact O-CG 3.42Å; K386-E390 PolarHBondContact O-N 3.27Å; R387-E390 PolarHBondContact O-N 2.99Å; E390-S393 PolarHBondContact O-N 3.17Å; E390-S393 PolarHBondContact O-OG 3.11Å; E390-A394 WeakPolarHBondContact O-CB 3.42Å; E390-A394 PolarHBondContact O-N 3.39Å |
| 391 | L | 98 | Very high | 96.7 | Very high | 116 Ų | 116 | 73.7 Ų | 73.7 | 61% | 0.607 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -59.5 | -52.4 | 178.3 | -72.4 | 171.8 | 0 | 0 | 0 | 112.5 | R387 S393 A394 E395 | R387-L391 VanDerWaalsContact O-CG 3.32Å; R387-L391 WeakPolarHBondContact O-CG 3.31Å; R387-L391 PolarHBondContact O-N 3Å; L391-S393 VanDerWaalsContact C-N 3.3Å; L391-S393 PolarHBondContact O-N 3.04Å; L391-A394 PolarHBondContact O-N 3.05Å; L391-E395 WeakPolarHBondContact O-CB 3.3Å; L391-E395 PolarHBondContact O-N 3.13Å |
| 392 | Y | 98.2 | Very high | 96.2 | Very high | 55 Ų | 55 | 76 Ų | 76 | 22% | 0.216 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -69.8 | -25.9 | -179.2 | -61.2 | -37.9 | 0 | 0 | 0 | 113.1 | V331 K334 Q335 V338 R388 E395 E396 | V331-Y392 WeakPolarHBondContact CG1-O 3.34Å; K334-Y392 HydrophobicContact CB-CD1 4.37Å; K334-Y392 HydrophobicContact CB-CD2 3.95Å; K334-Y392 HydrophobicContact CB-CE1 4.29Å; K334-Y392 HydrophobicContact CB-CE2 3.85Å; K334-Y392 HydrophobicContact CB-CG 4.22Å; K334-Y392 HydrophobicContact CD-CD1 4.33Å; K334-Y392 HydrophobicContact CD-CE1 3.9Å; Q335-Y392 PolarHBondContact NE2-O 3Å; V338-Y392 HydrophobicContact CG2-CD2 3.86Å; V338-Y392 HydrophobicContact CG2-CE2 3.68Å; R388-Y392 HydrophobicContact CB-CE2 4.2Å; R388-Y392 WeakPolarHBondContact O-CD2 3.42Å; R388-Y392 PolarHBondContact O-N 3.24Å; Y392-E395 WeakPolarHBondContact CD1-OE2 3.34Å; Y392-E396 PolarHBondContact O-N 3.33Å; Y392-E396 VanDerWaalsContact O-N 3.11Å |
| 393 | S | 97.3 | Very high | 95.9 | Very high | 39 Ų | 39 | 75.3 Ų | 75.3 | 27% | 0.273 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -71.7 | -39 | 171.2 | 113.1 | 0 | 0 | 0 | 0 | 111.3 | T389 E390 L391 K397 | T389-S393 WeakPolarHBondContact O-CB 3.32Å; T389-S393 PolarHBondContact O-N 3.39Å; E390-S393 PolarHBondContact O-N 3.17Å; E390-S393 PolarHBondContact O-OG 3.11Å; L391-S393 VanDerWaalsContact C-N 3.3Å; L391-S393 PolarHBondContact O-N 3.04Å; S393-K397 WeakPolarHBondContact O-CB 3.43Å; S393-K397 VanDerWaalsContact O-CG 3.24Å; S393-K397 WeakPolarHBondContact O-CG 3.42Å; S393-K397 PolarHBondContact O-N 2.93Å |
| 394 | A | 97.3 | Very high | 95.4 | Very high | 54 Ų | 54 | 79.7 Ų | 79.7 | 45% | 0.446 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -67.1 | -40.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111 | E390 L391 K397 A398 | E390-A394 WeakPolarHBondContact O-CB 3.42Å; E390-A394 PolarHBondContact O-N 3.39Å; L391-A394 PolarHBondContact O-N 3.05Å; A394-K397 PolarHBondContact O-N 3.44Å; A394-A398 WeakPolarHBondContact O-CB 3.44Å; A394-A398 PolarHBondContact O-N 3.03Å |
| 395 | E | 96.2 | Very high | 94.9 | Very high | 74 Ų | 74 | 79.1 Ų | 79.1 | 35% | 0.346 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -60.7 | -49 | 175 | -172.5 | 179.2 | -177.1 | 0 | 0 | 111.8 | V331 L391 Y392 K397 A398 L399 | V331-E395 HydrophobicContact CG1-CB 4.49Å; V331-E395 HydrophobicContact CG2-CG 4.1Å; L391-E395 WeakPolarHBondContact O-CB 3.3Å; L391-E395 PolarHBondContact O-N 3.13Å; Y392-E395 WeakPolarHBondContact CD1-OE2 3.34Å; E395-K397 PolarHBondContact O-N 2.94Å; E395-A398 PolarHBondContact O-N 3.48Å; E395-L399 HydrophobicContact CG-CD1 4.35Å; E395-L399 WeakPolarHBondContact O-CG 3.33Å; E395-L399 PolarHBondContact O-N 3.4Å |
| 396 | E | 96 | Very high | 94.2 | Very high | 41 Ų | 41 | 85 Ų | 85 | 19% | 0.192 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -60 | -44.5 | 176.2 | -176.3 | 177.2 | -157.4 | 0 | 0 | 111.7 | L328 V331 R332 Q335 Y392 A398 L399 M400 | L328-E396 HydrophobicContact CD2-CG 4.41Å; V331-E396 HydrophobicContact CG1-CB 3.93Å; R332-E396 IonicContact CZ-OE1 2.79Å; R332-E396 IonicContact NE-OE1 3.61Å; R332-E396 PolarHBondContact NE-OE1 3.46Å; R332-E396 IonicContact NH2-OE1 2.92Å; Q335-E396 PolarHBondContact NE2-OE2 2.82Å; Q335-E396 PolarHBondContact OE1-OE2 2.81Å; Y392-E396 PolarHBondContact O-N 3.33Å; Y392-E396 VanDerWaalsContact O-N 3.11Å; E396-A398 PolarHBondContact O-N 2.92Å; E396-L399 PolarHBondContact O-N 2.99Å; E396-M400 WeakPolarHBondContact O-CB 3.49Å; E396-M400 VanDerWaalsContact O-CG 3.28Å; E396-M400 WeakPolarHBondContact O-CG 3.44Å; E396-M400 PolarHBondContact O-N 3.27Å |
| 397 | K | 95.7 | Very high | 93.5 | Very high | 140 Ų | 140 | 84.4 Ų | 84.4 | 61% | 0.609 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -62.6 | -42.1 | 177.2 | -73.6 | 171.5 | -177.4 | 175.5 | 0 | 112.1 | S393 A394 E395 M400 V401 | S393-K397 WeakPolarHBondContact O-CB 3.43Å; S393-K397 VanDerWaalsContact O-CG 3.24Å; S393-K397 WeakPolarHBondContact O-CG 3.42Å; S393-K397 PolarHBondContact O-N 2.93Å; A394-K397 PolarHBondContact O-N 3.44Å; E395-K397 PolarHBondContact O-N 2.94Å; K397-M400 PolarHBondContact O-N 2.98Å; K397-V401 WeakPolarHBondContact O-CG2 3.44Å; K397-V401 PolarHBondContact O-N 3.45Å |
| 398 | A | 95.8 | Very high | 92.7 | Very high | 54 Ų | 54 | 83.6 Ų | 83.6 | 45% | 0.446 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63.5 | -46.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | A394 E395 E396 M400 V401 M402 | A394-A398 WeakPolarHBondContact O-CB 3.44Å; A394-A398 PolarHBondContact O-N 3.03Å; E395-A398 PolarHBondContact O-N 3.48Å; E396-A398 PolarHBondContact O-N 2.92Å; A398-M400 PolarHBondContact O-N 2.9Å; A398-V401 PolarHBondContact O-N 3.37Å; A398-M402 WeakPolarHBondContact O-CG 3.38Å; A398-M402 PolarHBondContact O-N 3.18Å |
| 399 | L | 94.8 | Very high | 91.9 | Very high | 37 Ų | 37 | 81.7 Ų | 81.7 | 19% | 0.194 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -60.7 | -45.7 | 176.4 | -69.9 | 172.8 | 0 | 0 | 0 | 111.5 | V327 L328 V331 E395 E396 V401 M402 L403 | V327-L399 HydrophobicContact CG1-CD1 3.92Å; L328-L399 HydrophobicContact CD2-CB 3.75Å; L328-L399 HydrophobicContact CD2-CD1 4.1Å; V331-L399 HydrophobicContact CG2-CD1 3.91Å; E395-L399 HydrophobicContact CG-CD1 4.35Å; E395-L399 WeakPolarHBondContact O-CG 3.33Å; E395-L399 PolarHBondContact O-N 3.4Å; E396-L399 PolarHBondContact O-N 2.99Å; L399-V401 PolarHBondContact O-N 3.45Å; L399-M402 PolarHBondContact O-N 3.01Å; L399-M402 VanDerWaalsContact O-N 3.16Å; L399-L403 WeakPolarHBondContact O-CD1 3.49Å; L399-L403 PolarHBondContact O-N 2.83Å |
| 400 | M | 93.1 | Very high | 91.2 | Very high | 65 Ų | 65 | 84 Ų | 84 | 32% | 0.32 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -56.8 | -46.7 | 176.5 | -75.4 | -65.7 | -55.2 | 0 | 0 | 112.4 | L328 E396 K397 A398 M402 L403 E404 | L328-M400 HydrophobicContact CD1-SD 4.06Å; L328-M400 HydrophobicContact CD2-CG 4.5Å; L328-M400 HydrophobicContact CD2-SD 4.46Å; E396-M400 WeakPolarHBondContact O-CB 3.49Å; E396-M400 VanDerWaalsContact O-CG 3.28Å; E396-M400 WeakPolarHBondContact O-CG 3.44Å; E396-M400 PolarHBondContact O-N 3.27Å; K397-M400 PolarHBondContact O-N 2.98Å; A398-M400 PolarHBondContact O-N 2.9Å; M400-M402 VanDerWaalsContact C-N 3.33Å; M400-M402 PolarHBondContact O-N 3.28Å; M400-L403 PolarHBondContact O-N 2.98Å; M400-E404 WeakPolarHBondContact O-CB 3.41Å; M400-E404 WeakPolarHBondContact O-CG 3.5Å; M400-E404 PolarHBondContact O-N 3.45Å |
| 401 | V | 93.4 | Very high | 90.6 | Very high | 98 Ų | 98 | 85.6 Ų | 85.6 | 59% | 0.594 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -63.6 | -38.4 | 177.3 | 170.9 | 0 | 0 | 0 | 0 | 111.6 | K397 A398 L399 G405 | K397-V401 WeakPolarHBondContact O-CG2 3.44Å; K397-V401 PolarHBondContact O-N 3.45Å; A398-V401 PolarHBondContact O-N 3.37Å; L399-V401 PolarHBondContact O-N 3.45Å; V401-G405 PolarHBondContact O-N 3.5Å |
| 402 | M | 87.6 | Confident | 90.2 | Very high | 131 Ų | 131 | 86.7 Ų | 86.7 | 65% | 0.645 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -64.7 | -45.8 | 176.3 | -72.4 | 176.8 | 64.1 | 0 | 0 | 112 | A398 L399 M400 G405 E406 | A398-M402 WeakPolarHBondContact O-CG 3.38Å; A398-M402 PolarHBondContact O-N 3.18Å; L399-M402 PolarHBondContact O-N 3.01Å; L399-M402 VanDerWaalsContact O-N 3.16Å; M400-M402 VanDerWaalsContact C-N 3.33Å; M400-M402 PolarHBondContact O-N 3.28Å; M402-G405 PolarHBondContact O-N 3.48Å; M402-E406 PolarHBondContact O-N 3.25Å |
| 403 | L | 89.4 | Confident | 89.7 | Confident | 55 Ų | 55 | 90.3 Ų | 90.3 | 29% | 0.288 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.2 | -44.8 | 176.5 | -87.9 | 80.6 | 0 | 0 | 0 | 111.6 | A324 L328 L399 M400 E406 Q407 | A324-L403 HydrophobicContact CB-CD1 4.5Å; A324-L403 HydrophobicContact CB-CD2 3.88Å; A324-L403 HydrophobicContact CB-CG 4.34Å; L328-L403 HydrophobicContact CD1-CD2 4Å; L399-L403 WeakPolarHBondContact O-CD1 3.49Å; L399-L403 PolarHBondContact O-N 2.83Å; M400-L403 PolarHBondContact O-N 2.98Å; L403-E406 PolarHBondContact O-N 2.99Å; L403-Q407 WeakPolarHBondContact O-CB 3.34Å; L403-Q407 PolarHBondContact O-N 3.33Å; L403-Q407 VanDerWaalsContact O-N 3.08Å |
| 404 | E | 88.4 | Confident | 89.2 | Confident | 112 Ų | 112 | 93.9 Ų | 93.9 | 52% | 0.523 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -65 | -40.1 | 177.6 | -74.6 | 174.9 | -174.9 | 0 | 0 | 111.9 | M400 Q407 Q408 | M400-E404 WeakPolarHBondContact O-CB 3.41Å; M400-E404 WeakPolarHBondContact O-CG 3.5Å; M400-E404 PolarHBondContact O-N 3.45Å; E404-Q407 PolarHBondContact O-N 3.36Å; E404-Q408 VanDerWaalsContact O-CB 3.28Å; E404-Q408 WeakPolarHBondContact O-CB 3.25Å; E404-Q408 PolarHBondContact O-N 2.66Å |
| 405 | G | 85.8 | Confident | 88.6 | Confident | 37 Ų | 37 | 97.2 Ų | 97.2 | 38% | 0.381 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.7 | -44.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | V401 M402 Q408 E409 | V401-G405 PolarHBondContact O-N 3.5Å; M402-G405 PolarHBondContact O-N 3.48Å; G405-Q408 PolarHBondContact O-N 3.26Å; G405-E409 VanDerWaalsContact O-CB 3.31Å; G405-E409 WeakPolarHBondContact O-CB 3.34Å; G405-E409 PolarHBondContact O-N 3.39Å |
| 406 | E | 83.9 | Confident | 88.4 | Confident | 130 Ų | 130 | 98.4 Ų | 98.4 | 61% | 0.607 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -63 | -44.9 | 176 | -175.1 | 169.7 | -149.4 | 0 | 0 | 111.5 | M402 L403 Q408 E409 E410 | M402-E406 PolarHBondContact O-N 3.25Å; L403-E406 PolarHBondContact O-N 2.99Å; E406-Q408 VanDerWaalsContact C-N 3.34Å; E406-Q408 PolarHBondContact O-N 2.71Å; E406-E409 PolarHBondContact O-N 2.98Å; E406-E410 WeakPolarHBondContact O-CB 3.44Å; E406-E410 PolarHBondContact O-N 3.15Å |
| 407 | Q | 81.8 | Confident | 88.2 | Confident | 121 Ų | 121 | 104.3 Ų | 104.3 | 57% | 0.565 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -67.2 | -32.9 | 177.5 | -176.3 | 143.9 | 70.9 | 0 | 0 | 112.9 | L403 E404 R411 | L403-Q407 WeakPolarHBondContact O-CB 3.34Å; L403-Q407 PolarHBondContact O-N 3.33Å; L403-Q407 VanDerWaalsContact O-N 3.08Å; E404-Q407 PolarHBondContact O-N 3.36Å; Q407-R411 WeakPolarHBondContact O-CG 3.41Å; Q407-R411 PolarHBondContact O-N 2.95Å; Q407-R411 VanDerWaalsContact O-N 3.11Å |
| 408 | Q | 80.9 | Confident | 87.9 | Confident | 126 Ų | 126 | 102.1 Ų | 102.1 | 59% | 0.589 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -73 | -39.1 | 175.4 | -171.1 | 159.2 | 3 | 0 | 0 | 112.2 | E404 G405 E406 R411 R412 | E404-Q408 VanDerWaalsContact O-CB 3.28Å; E404-Q408 WeakPolarHBondContact O-CB 3.25Å; E404-Q408 PolarHBondContact O-N 2.66Å; G405-Q408 PolarHBondContact O-N 3.26Å; E406-Q408 VanDerWaalsContact C-N 3.34Å; E406-Q408 PolarHBondContact O-N 2.71Å; Q408-R411 PolarHBondContact O-N 3.46Å; Q408-R412 PolarHBondContact O-N 2.86Å |
| 409 | E | 81.4 | Confident | 87.8 | Confident | 69 Ų | 69 | 104 Ų | 104 | 32% | 0.322 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.3 | -38.6 | 173.8 | 178.8 | 61.6 | -165.2 | 0 | 0 | 111.5 | G405 E406 R412 R413 | G405-E409 VanDerWaalsContact O-CB 3.31Å; G405-E409 WeakPolarHBondContact O-CB 3.34Å; G405-E409 PolarHBondContact O-N 3.39Å; E406-E409 PolarHBondContact O-N 2.98Å; E409-R412 WeakPolarHBondContact O-CB 3.44Å; E409-R412 PolarHBondContact O-N 3.44Å; E409-R413 VanDerWaalsContact O-CG 3.29Å; E409-R413 WeakPolarHBondContact O-CG 3.31Å; E409-R413 PolarHBondContact O-N 3.24Å; E409-R413 IonicContact OE1-CZ 3.26Å; E409-R413 IonicContact OE1-NE 3.13Å; E409-R413 PolarHBondContact OE1-NE 2.91Å; E409-R413 IonicContact OE1-NH2 3.14Å; E409-R413 PolarHBondContact OE1-NH2 2.9Å |
| 410 | E | 82.8 | Confident | 87.7 | Confident | 104 Ų | 104 | 111.4 Ų | 111.4 | 49% | 0.486 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.8 | -47.5 | 172.9 | -174.3 | 178.7 | -142 | 0 | 0 | 111.8 | E406 R412 R413 E414 | E406-E410 WeakPolarHBondContact O-CB 3.44Å; E406-E410 PolarHBondContact O-N 3.15Å; E410-R412 VanDerWaalsContact C-N 3.27Å; E410-R412 PolarHBondContact O-N 3.33Å; E410-R413 PolarHBondContact O-N 3.2Å; E410-R413 VanDerWaalsContact O-N 3.16Å; E410-E414 PolarHBondContact O-N 3.34Å |
| 411 | R | 85.6 | Confident | 87.8 | Confident | 139 Ų | 139 | 113.6 Ų | 113.6 | 53% | 0.525 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -58 | -40.7 | 175.1 | -76.7 | -172.6 | -67.7 | 172.3 | -1.6 | 112 | Q407 Q408 E414 Q415 | Q407-R411 WeakPolarHBondContact O-CG 3.41Å; Q407-R411 PolarHBondContact O-N 2.95Å; Q407-R411 VanDerWaalsContact O-N 3.11Å; Q408-R411 PolarHBondContact O-N 3.46Å; R411-E414 PolarHBondContact O-N 2.85Å; R411-Q415 VanDerWaalsContact O-CG 3.26Å; R411-Q415 WeakPolarHBondContact O-CG 3.43Å; R411-Q415 PolarHBondContact O-N 3.2Å |
| 412 | R | 88.3 | Confident | 87.7 | Confident | 139 Ų | 139 | 111.9 Ų | 111.9 | 53% | 0.525 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.3 | -47.5 | 175.5 | -178.3 | -172.6 | 166.2 | 175.6 | 2.1 | 111.4 | Q408 E409 E410 E414 Q415 E416 | Q408-R412 PolarHBondContact O-N 2.86Å; E409-R412 WeakPolarHBondContact O-CB 3.44Å; E409-R412 PolarHBondContact O-N 3.44Å; E410-R412 VanDerWaalsContact C-N 3.27Å; E410-R412 PolarHBondContact O-N 3.33Å; R412-E414 VanDerWaalsContact C-N 3.3Å; R412-E414 PolarHBondContact O-N 3.42Å; R412-Q415 PolarHBondContact O-N 2.87Å; R412-E416 IonicContact CZ-OE1 2.86Å; R412-E416 IonicContact NE-OE1 3.2Å; R412-E416 PolarHBondContact NE-OE1 3.13Å; R412-E416 IonicContact NH2-OE1 3.68Å; R412-E416 WeakPolarHBondContact O-CG 3.45Å; R412-E416 PolarHBondContact O-N 2.61Å |
| 413 | R | 87.7 | Confident | 88.1 | Confident | 132 Ų | 132 | 114 Ų | 114 | 50% | 0.498 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.8 | -37.8 | 177.2 | -71.9 | 172 | -174.3 | -179.5 | 3 | 112.1 | E409 E410 E416 R417 | E409-R413 VanDerWaalsContact O-CG 3.29Å; E409-R413 WeakPolarHBondContact O-CG 3.31Å; E409-R413 PolarHBondContact O-N 3.24Å; E409-R413 IonicContact OE1-CZ 3.26Å; E409-R413 IonicContact OE1-NE 3.13Å; E409-R413 PolarHBondContact OE1-NE 2.91Å; E409-R413 IonicContact OE1-NH2 3.14Å; E409-R413 PolarHBondContact OE1-NH2 2.9Å; E410-R413 PolarHBondContact O-N 3.2Å; E410-R413 VanDerWaalsContact O-N 3.16Å; R413-E416 PolarHBondContact O-N 3.15Å; R413-R417 WeakPolarHBondContact O-CB 3.37Å; R413-R417 WeakPolarHBondContact O-CG 3.36Å; R413-R417 PolarHBondContact O-N 3.25Å |
| 414 | E | 87.1 | Confident | 88.3 | Confident | 113 Ų | 113 | 116.4 Ų | 116.4 | 53% | 0.528 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66 | -45.3 | 175.3 | -170.5 | 172.1 | -157.9 | 0 | 0 | 111.3 | E410 R411 R412 E416 R417 Q418 | E410-E414 PolarHBondContact O-N 3.34Å; R411-E414 PolarHBondContact O-N 2.85Å; R412-E414 VanDerWaalsContact C-N 3.3Å; R412-E414 PolarHBondContact O-N 3.42Å; E414-E416 PolarHBondContact O-N 3.21Å; E414-R417 WeakPolarHBondContact O-CB 3.39Å; E414-R417 PolarHBondContact O-N 3.34Å; E414-Q418 VanDerWaalsContact O-CG 3.32Å; E414-Q418 WeakPolarHBondContact O-CG 3.19Å; E414-Q418 PolarHBondContact O-N 3.31Å |
| 415 | Q | 85.8 | Confident | 88.5 | Confident | 125 Ų | 125 | 117.3 Ų | 117.3 | 58% | 0.584 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -59.4 | -44.7 | 174.1 | -71.9 | 172.1 | 9.5 | 0 | 0 | 112 | R411 R412 R417 Q418 I419 | R411-Q415 VanDerWaalsContact O-CG 3.26Å; R411-Q415 WeakPolarHBondContact O-CG 3.43Å; R411-Q415 PolarHBondContact O-N 3.2Å; R412-Q415 PolarHBondContact O-N 2.87Å; Q415-R417 VanDerWaalsContact C-N 3.33Å; Q415-R417 PolarHBondContact O-N 3.03Å; Q415-Q418 PolarHBondContact O-N 3.13Å; Q415-Q418 VanDerWaalsContact O-N 3.17Å; Q415-I419 VanDerWaalsContact O-CG1 3.3Å; Q415-I419 WeakPolarHBondContact O-CG1 3.39Å; Q415-I419 PolarHBondContact O-N 2.85Å |
| 416 | E | 90.4 | Very high | 88.9 | Confident | 98 Ų | 98 | 120.6 Ų | 120.6 | 46% | 0.458 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61 | -41.3 | 175.4 | -74.1 | 176.1 | -171.7 | 0 | 0 | 111.7 | R412 R413 E414 I419 R420 | R412-E416 IonicContact CZ-OE1 2.86Å; R412-E416 IonicContact NE-OE1 3.2Å; R412-E416 PolarHBondContact NE-OE1 3.13Å; R412-E416 IonicContact NH2-OE1 3.68Å; R412-E416 WeakPolarHBondContact O-CG 3.45Å; R412-E416 PolarHBondContact O-N 2.61Å; R413-E416 PolarHBondContact O-N 3.15Å; E414-E416 PolarHBondContact O-N 3.21Å; E416-I419 PolarHBondContact O-N 3.38Å; E416-R420 VanDerWaalsContact O-CB 3.3Å; E416-R420 WeakPolarHBondContact O-CB 3.4Å; E416-R420 PolarHBondContact O-N 3.17Å |
| 417 | R | 92.1 | Very high | 89.3 | Confident | 166 Ų | 166 | 118.6 Ų | 118.6 | 63% | 0.626 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.5 | -40.7 | 173.5 | -74 | 169.7 | -177.7 | 176.3 | 1.1 | 111.8 | R413 E414 Q415 R420 K421 | R413-R417 WeakPolarHBondContact O-CB 3.37Å; R413-R417 WeakPolarHBondContact O-CG 3.36Å; R413-R417 PolarHBondContact O-N 3.25Å; E414-R417 WeakPolarHBondContact O-CB 3.39Å; E414-R417 PolarHBondContact O-N 3.34Å; Q415-R417 VanDerWaalsContact C-N 3.33Å; Q415-R417 PolarHBondContact O-N 3.03Å; R417-R420 PolarHBondContact O-N 3.1Å; R417-K421 WeakPolarHBondContact O-CB 3.32Å; R417-K421 VanDerWaalsContact O-CG 3.27Å; R417-K421 WeakPolarHBondContact O-CG 3.32Å; R417-K421 PolarHBondContact O-N 2.86Å |
| 418 | Q | 90.6 | Very high | 89.8 | Confident | 94 Ų | 94 | 117.7 Ų | 117.7 | 44% | 0.439 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.3 | -45.9 | 177.2 | -69.2 | -65.1 | -5.7 | 0 | 0 | 111.4 | E414 Q415 R420 K421 E422 | E414-Q418 VanDerWaalsContact O-CG 3.32Å; E414-Q418 WeakPolarHBondContact O-CG 3.19Å; E414-Q418 PolarHBondContact O-N 3.31Å; Q415-Q418 PolarHBondContact O-N 3.13Å; Q415-Q418 VanDerWaalsContact O-N 3.17Å; Q418-R420 VanDerWaalsContact C-N 3.31Å; Q418-R420 PolarHBondContact O-N 3.46Å; Q418-K421 PolarHBondContact O-N 3.08Å; Q418-E422 WeakPolarHBondContact O-CB 3.45Å; Q418-E422 PolarHBondContact O-N 3.29Å |
| 419 | I | 92 | Very high | 90.3 | Very high | 92 Ų | 92 | 118.5 Ų | 118.5 | 47% | 0.472 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.3 | -43.3 | 175.5 | -67.6 | 165.5 | 0 | 0 | 0 | 110.2 | Q415 E416 E422 R423 | Q415-I419 VanDerWaalsContact O-CG1 3.3Å; Q415-I419 WeakPolarHBondContact O-CG1 3.39Å; Q415-I419 PolarHBondContact O-N 2.85Å; E416-I419 PolarHBondContact O-N 3.38Å; I419-E422 PolarHBondContact O-N 2.91Å; I419-R423 HydrophobicContact CG2-CG 4.4Å; I419-R423 WeakPolarHBondContact O-CB 3.39Å; I419-R423 VanDerWaalsContact O-CG 3.31Å; I419-R423 WeakPolarHBondContact O-CG 3.4Å; I419-R423 PolarHBondContact O-N 3.22Å |
| 420 | R | 93.8 | Very high | 90.7 | Very high | 194 Ų | 194 | 121.3 Ų | 121.3 | 73% | 0.732 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.5 | -43.9 | 176.7 | -174.6 | 175.6 | 179 | 169.4 | 0.5 | 112 | E416 R417 Q418 R423 Q424 | E416-R420 VanDerWaalsContact O-CB 3.3Å; E416-R420 WeakPolarHBondContact O-CB 3.4Å; E416-R420 PolarHBondContact O-N 3.17Å; R417-R420 PolarHBondContact O-N 3.1Å; Q418-R420 VanDerWaalsContact C-N 3.31Å; Q418-R420 PolarHBondContact O-N 3.46Å; R420-R423 PolarHBondContact O-N 3.45Å; R420-Q424 WeakPolarHBondContact O-CB 3.45Å; R420-Q424 PolarHBondContact O-N 2.93Å |
| 421 | K | 94.6 | Very high | 91 | Very high | 110 Ų | 110 | 124.3 Ų | 124.3 | 48% | 0.478 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.3 | -42.1 | 175.6 | -76 | 173.9 | -177.4 | 178 | 0 | 111.7 | R417 Q418 Q424 R425 | R417-K421 WeakPolarHBondContact O-CB 3.32Å; R417-K421 VanDerWaalsContact O-CG 3.27Å; R417-K421 WeakPolarHBondContact O-CG 3.32Å; R417-K421 PolarHBondContact O-N 2.86Å; Q418-K421 PolarHBondContact O-N 3.08Å; K421-Q424 PolarHBondContact O-N 3.37Å; K421-R425 VanDerWaalsContact O-CG 3.32Å; K421-R425 WeakPolarHBondContact O-CG 3.49Å; K421-R425 PolarHBondContact O-N 2.95Å |
| 422 | E | 92.6 | Very high | 91.2 | Very high | 63 Ų | 63 | 125.9 Ų | 125.9 | 29% | 0.294 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -68.7 | -41.4 | 178.4 | -170.6 | 57.2 | -150.7 | 0 | 0 | 111.4 | Q418 I419 Q424 R425 Q426 R429 | Q418-E422 WeakPolarHBondContact O-CB 3.45Å; Q418-E422 PolarHBondContact O-N 3.29Å; I419-E422 PolarHBondContact O-N 2.91Å; E422-Q424 VanDerWaalsContact C-N 3.29Å; E422-Q424 PolarHBondContact O-N 3.49Å; E422-R425 PolarHBondContact O-N 3.04Å; E422-R425 IonicContact OE2-NH1 3.37Å; E422-Q426 WeakPolarHBondContact O-CB 3.4Å; E422-Q426 VanDerWaalsContact O-CG 3.31Å; E422-Q426 WeakPolarHBondContact O-CG 3.04Å; E422-Q426 PolarHBondContact O-N 2.87Å; E422-R429 IonicContact OE1-NH1 3.4Å; E422-R429 PolarHBondContact OE1-NH1 2.78Å; E422-R429 VanDerWaalsContact OE1-NH1 3.1Å |
| 423 | R | 94.3 | Very high | 91.3 | Very high | 175 Ų | 175 | 122.9 Ų | 122.9 | 66% | 0.66 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -57.8 | -43.1 | 171.5 | -76.8 | 179 | -179.3 | -176.4 | 1.2 | 111.7 | I419 R420 Q426 L427 | I419-R423 HydrophobicContact CG2-CG 4.4Å; I419-R423 WeakPolarHBondContact O-CB 3.39Å; I419-R423 VanDerWaalsContact O-CG 3.31Å; I419-R423 WeakPolarHBondContact O-CG 3.4Å; I419-R423 PolarHBondContact O-N 3.22Å; R420-R423 PolarHBondContact O-N 3.45Å; R423-Q426 PolarHBondContact O-N 3.47Å; R423-L427 WeakPolarHBondContact O-CB 3.29Å; R423-L427 PolarHBondContact O-N 3.25Å |
| 424 | Q | 93.7 | Very high | 91.1 | Very high | 106 Ų | 106 | 119.4 Ų | 119.4 | 50% | 0.495 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.9 | -44.6 | 176.3 | -179.2 | 172.1 | -7.7 | 0 | 0 | 111.6 | R420 K421 E422 Q426 L427 E428 | R420-Q424 WeakPolarHBondContact O-CB 3.45Å; R420-Q424 PolarHBondContact O-N 2.93Å; K421-Q424 PolarHBondContact O-N 3.37Å; E422-Q424 VanDerWaalsContact C-N 3.29Å; E422-Q424 PolarHBondContact O-N 3.49Å; Q424-Q426 VanDerWaalsContact C-N 3.31Å; Q424-Q426 PolarHBondContact O-N 3.17Å; Q424-L427 WeakPolarHBondContact O-CB 3.34Å; Q424-L427 PolarHBondContact O-N 2.9Å; Q424-L427 VanDerWaalsContact O-N 3.17Å; Q424-E428 HydrophobicContact CG-CG 4.5Å; Q424-E428 WeakPolarHBondContact CG-OE1 3.35Å; Q424-E428 PolarHBondContact NE2-OE1 3.04Å; Q424-E428 WeakPolarHBondContact O-CG 3.47Å; Q424-E428 PolarHBondContact O-N 3.22Å |
| 425 | R | 94.4 | Very high | 91.1 | Very high | 130 Ų | 130 | 116.1 Ų | 116.1 | 49% | 0.491 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.2 | -39.8 | 174.9 | -73.8 | 170.3 | 175.1 | 178.7 | -2.8 | 112.3 | K421 E422 L427 E428 R429 | K421-R425 VanDerWaalsContact O-CG 3.32Å; K421-R425 WeakPolarHBondContact O-CG 3.49Å; K421-R425 PolarHBondContact O-N 2.95Å; E422-R425 PolarHBondContact O-N 3.04Å; E422-R425 IonicContact OE2-NH1 3.37Å; R425-L427 VanDerWaalsContact C-N 3.34Å; R425-E428 PolarHBondContact O-N 2.73Å; R425-R429 WeakPolarHBondContact O-CB 3.25Å; R425-R429 VanDerWaalsContact O-CG 3.24Å; R425-R429 WeakPolarHBondContact O-CG 3.3Å; R425-R429 PolarHBondContact O-N 3.03Å |
| 426 | Q | 92.3 | Very high | 91 | Very high | 106 Ų | 106 | 116.1 Ų | 116.1 | 50% | 0.495 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.8 | -42.4 | 174.9 | -73.8 | 175.8 | 5.5 | 0 | 0 | 111 | E422 R423 Q424 R429 K430 | E422-Q426 WeakPolarHBondContact O-CB 3.4Å; E422-Q426 VanDerWaalsContact O-CG 3.31Å; E422-Q426 WeakPolarHBondContact O-CG 3.04Å; E422-Q426 PolarHBondContact O-N 2.87Å; R423-Q426 PolarHBondContact O-N 3.47Å; Q424-Q426 VanDerWaalsContact C-N 3.31Å; Q424-Q426 PolarHBondContact O-N 3.17Å; Q426-R429 PolarHBondContact O-N 2.82Å; Q426-K430 WeakPolarHBondContact O-CB 3.44Å; Q426-K430 PolarHBondContact O-N 3.44Å |
| 427 | L | 92.8 | Very high | 90.8 | Very high | 89 Ų | 89 | 117.1 Ų | 117.1 | 47% | 0.466 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.9 | -42.7 | 175.6 | -171.6 | 66.4 | 0 | 0 | 0 | 111.7 | R423 Q424 R425 K430 R431 | R423-L427 WeakPolarHBondContact O-CB 3.29Å; R423-L427 PolarHBondContact O-N 3.25Å; Q424-L427 WeakPolarHBondContact O-CB 3.34Å; Q424-L427 PolarHBondContact O-N 2.9Å; Q424-L427 VanDerWaalsContact O-N 3.17Å; R425-L427 VanDerWaalsContact C-N 3.34Å; L427-K430 PolarHBondContact O-N 3.4Å; L427-R431 WeakPolarHBondContact O-CG 3.46Å; L427-R431 PolarHBondContact O-N 2.87Å |
| 428 | E | 91.9 | Very high | 90.3 | Very high | 101 Ų | 101 | 117.3 Ų | 117.3 | 47% | 0.472 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.6 | -42.5 | 175.2 | -74 | 167.9 | -172.1 | 0 | 0 | 111.8 | Q424 R425 K430 R431 R432 | Q424-E428 HydrophobicContact CG-CG 4.5Å; Q424-E428 WeakPolarHBondContact CG-OE1 3.35Å; Q424-E428 PolarHBondContact NE2-OE1 3.04Å; Q424-E428 WeakPolarHBondContact O-CG 3.47Å; Q424-E428 PolarHBondContact O-N 3.22Å; R425-E428 PolarHBondContact O-N 2.73Å; E428-K430 VanDerWaalsContact C-N 3.35Å; E428-R431 PolarHBondContact O-N 2.96Å; E428-R432 WeakPolarHBondContact O-CB 3.37Å; E428-R432 PolarHBondContact O-N 2.86Å |
| 429 | R | 92.1 | Very high | 89.8 | Confident | 143 Ų | 143 | 114.7 Ų | 114.7 | 54% | 0.54 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.8 | -44.6 | 172.8 | -74.9 | 173.3 | -171.1 | 145.7 | 3.1 | 111.3 | E422 R425 Q426 R432 V433 | E422-R429 IonicContact OE1-NH1 3.4Å; E422-R429 PolarHBondContact OE1-NH1 2.78Å; E422-R429 VanDerWaalsContact OE1-NH1 3.1Å; R425-R429 WeakPolarHBondContact O-CB 3.25Å; R425-R429 VanDerWaalsContact O-CG 3.24Å; R425-R429 WeakPolarHBondContact O-CG 3.3Å; R425-R429 PolarHBondContact O-N 3.03Å; Q426-R429 PolarHBondContact O-N 2.82Å; R429-R432 PolarHBondContact O-N 3.07Å; R429-V433 WeakPolarHBondContact O-CG2 3.5Å; R429-V433 PolarHBondContact O-N 3.37Å |
| 430 | K | 90.8 | Very high | 89.2 | Confident | 128 Ų | 128 | 116.7 Ų | 116.7 | 56% | 0.557 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -59.6 | -51.6 | 177.1 | -170.6 | -168.4 | 169.5 | -170.5 | 0 | 110.3 | Q426 L427 E428 R432 V433 D434 | Q426-K430 WeakPolarHBondContact O-CB 3.44Å; Q426-K430 PolarHBondContact O-N 3.44Å; L427-K430 PolarHBondContact O-N 3.4Å; E428-K430 VanDerWaalsContact C-N 3.35Å; K430-R432 VanDerWaalsContact C-N 3.26Å; K430-R432 PolarHBondContact O-N 3.11Å; K430-V433 CarbonylContact O-C 3.58Å; K430-V433 PolarHBondContact O-N 2.87Å; K430-D434 WeakPolarHBondContact CE-OD2 3.28Å; K430-D434 VanDerWaalsContact O-CG 3.25Å; K430-D434 PolarHBondContact O-N 3.27Å |
| 431 | R | 89.1 | Confident | 88.4 | Confident | 167 Ų | 167 | 116.2 Ų | 116.2 | 63% | 0.63 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -55.4 | -40.6 | 176.1 | -73.6 | 178.1 | -178.5 | -165.8 | -2.9 | 112.7 | L427 E428 D434 S435 | L427-R431 WeakPolarHBondContact O-CG 3.46Å; L427-R431 PolarHBondContact O-N 2.87Å; E428-R431 PolarHBondContact O-N 2.96Å; R431-D434 PolarHBondContact O-N 3.28Å; R431-S435 WeakPolarHBondContact O-CB 3.36Å; R431-S435 PolarHBondContact O-N 3.46Å |
| 432 | R | 88.8 | Confident | 87.1 | Confident | 173 Ų | 173 | 114 Ų | 114 | 65% | 0.653 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.2 | -42.7 | 176.3 | -174.1 | 179.7 | -176.7 | -127 | 1.3 | 112 | E428 R429 K430 M436 | E428-R432 WeakPolarHBondContact O-CB 3.37Å; E428-R432 PolarHBondContact O-N 2.86Å; R429-R432 PolarHBondContact O-N 3.07Å; K430-R432 VanDerWaalsContact C-N 3.26Å; K430-R432 PolarHBondContact O-N 3.11Å; R432-M436 HydrophobicContact CG-CE 4.04Å; R432-M436 VanDerWaalsContact O-CG 3.29Å; R432-M436 WeakPolarHBondContact O-CG 3.32Å; R432-M436 PolarHBondContact O-N 3.09Å; R432-M436 VanDerWaalsContact O-N 3.08Å |
| 433 | V | 90 | Very high | 86.4 | Confident | 75 Ų | 75 | 115.7 Ų | 115.7 | 46% | 0.455 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -66.5 | -44.4 | 176.1 | 171.2 | 0 | 0 | 0 | 0 | 110.7 | R429 K430 S435 M436 L437 | R429-V433 WeakPolarHBondContact O-CG2 3.5Å; R429-V433 PolarHBondContact O-N 3.37Å; K430-V433 CarbonylContact O-C 3.58Å; K430-V433 PolarHBondContact O-N 2.87Å; V433-S435 VanDerWaalsContact C-N 3.34Å; V433-S435 PolarHBondContact O-N 3.14Å; V433-M436 PolarHBondContact O-N 3.42Å; V433-M436 VanDerWaalsContact O-N 3.14Å; V433-L437 HydrophobicContact CG1-CD1 3.74Å; V433-L437 HydrophobicContact CG1-CG 4.3Å; V433-L437 WeakPolarHBondContact O-CG 3.27Å; V433-L437 PolarHBondContact O-N 3.34Å |
| 434 | D | 83.8 | Confident | 85.1 | Confident | 59 Ų | 59 | 110.9 Ų | 110.9 | 32% | 0.316 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -60.7 | -44.1 | 178.3 | -65.5 | -18.3 | 0 | 0 | 0 | 110.6 | K430 R431 M436 L437 F438 | K430-D434 WeakPolarHBondContact CE-OD2 3.28Å; K430-D434 VanDerWaalsContact O-CG 3.25Å; K430-D434 PolarHBondContact O-N 3.27Å; R431-D434 PolarHBondContact O-N 3.28Å; D434-M436 VanDerWaalsContact C-N 3.35Å; D434-M436 PolarHBondContact O-N 3.07Å; D434-L437 PolarHBondContact O-N 3.19Å; D434-F438 WeakPolarHBondContact O-CB 3.33Å; D434-F438 WeakPolarHBondContact O-CD2 3.41Å; D434-F438 PolarHBondContact O-N 3.33Å |
| 435 | S | 87.7 | Confident | 83.9 | Confident | 44 Ų | 44 | 113.3 Ų | 113.3 | 31% | 0.308 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -62.6 | -37.2 | 174.2 | 161.6 | 0 | 0 | 0 | 0 | 112.7 | R431 V433 G439 D440 | R431-S435 WeakPolarHBondContact O-CB 3.36Å; R431-S435 PolarHBondContact O-N 3.46Å; V433-S435 VanDerWaalsContact C-N 3.34Å; V433-S435 PolarHBondContact O-N 3.14Å; S435-G439 WeakPolarHBondContact CA-O 3.46Å; S435-G439 CarbonylContact O-C 3.53Å; S435-G439 WeakPolarHBondContact O-CA 3.42Å; S435-G439 PolarHBondContact O-N 3.23Å; S435-D440 PolarHBondContact OG-OD1 3.36Å |
| 436 | M | 82.9 | Confident | 83.1 | Confident | 126 Ų | 126 | 108.5 Ų | 108.5 | 62% | 0.621 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -69.3 | -34.2 | 175.2 | -73.9 | 174.3 | 174.8 | 0 | 0 | 113.5 | R432 V433 D434 | R432-M436 HydrophobicContact CG-CE 4.04Å; R432-M436 VanDerWaalsContact O-CG 3.29Å; R432-M436 WeakPolarHBondContact O-CG 3.32Å; R432-M436 PolarHBondContact O-N 3.09Å; R432-M436 VanDerWaalsContact O-N 3.08Å; V433-M436 PolarHBondContact O-N 3.42Å; V433-M436 VanDerWaalsContact O-N 3.14Å; D434-M436 VanDerWaalsContact C-N 3.35Å; D434-M436 PolarHBondContact O-N 3.07Å |
| 437 | L | 86 | Confident | 82.6 | Confident | 118 Ų | 118 | 110.9 Ų | 110.9 | 62% | 0.618 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -86.3 | -37.5 | -176.4 | -70.5 | 174.6 | 0 | 0 | 0 | 112.9 | V433 D434 | V433-L437 HydrophobicContact CG1-CD1 3.74Å; V433-L437 HydrophobicContact CG1-CG 4.3Å; V433-L437 WeakPolarHBondContact O-CG 3.27Å; V433-L437 PolarHBondContact O-N 3.34Å; D434-L437 PolarHBondContact O-N 3.19Å |
| 438 | F | 82.1 | Confident | 82 | Confident | 170 Ų | 170 | 111.8 Ų | 111.8 | 75% | 0.746 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -119.8 | -2.4 | -169.4 | -54.9 | -69.1 | 0 | 0 | 0 | 113.5 | D434 | D434-F438 WeakPolarHBondContact O-CB 3.33Å; D434-F438 WeakPolarHBondContact O-CD2 3.41Å; D434-F438 PolarHBondContact O-N 3.33Å |
| 439 | G | 81.1 | Confident | 81.6 | Confident | 40 Ų | 40 | 110.3 Ų | 110.3 | 41% | 0.412 | 56% | 0.563 | S | S | . | * | trans | 83.5 | 174.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | S435 | S435-G439 WeakPolarHBondContact CA-O 3.46Å; S435-G439 CarbonylContact O-C 3.53Å; S435-G439 WeakPolarHBondContact O-CA 3.42Å; S435-G439 PolarHBondContact O-N 3.23Å | ||
| 440 | D | 79.5 | Confident | 81.3 | Confident | 134 Ų | 134 | 107.6 Ų | 107.6 | 72% | 0.717 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -66.3 | 141.2 | 178.9 | -69.4 | -29.2 | 0 | 0 | 0 | 111.3 | S435 | S435-D440 PolarHBondContact OG-OD1 3.36Š|
| 441 | E | 75 | Confident | 80.9 | Confident | 184 Ų | 184 | 107.5 Ų | 107.5 | 86% | 0.86 | 56% | 0.564 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 123.8 | 177.5 | -167.9 | 171.4 | -171.5 | 0 | 0 | 108.9 | ||
| 442 | P | 68.9 | Low | 80.6 | Confident | 63 Ų | 63 | 102.7 Ų | 102.7 | 41% | 0.409 | 55% | 0.553 | S | S | . | * | P | Polyproline II helix | trans | -62.3 | 145.7 | -175.1 | 23.8 | -32.5 | 0 | 0 | 0 | 109.9 | ||
| 443 | P | 76.8 | Confident | 80.5 | Confident | 99 Ų | 99 | 98.5 Ų | 98.5 | 64% | 0.643 | 54% | 0.544 | S | S | * | . | P | Polyproline II helix | trans | -53.3 | 146.4 | 177.4 | -25.1 | 33 | 0 | 0 | 0 | 111.7 | D445 S446 | P443-D445 PolarHBondContact O-N 3.48Å; P443-S446 WeakPolarHBondContact O-CB 3.46Å; P443-S446 PolarHBondContact O-N 2.83Å |
| 444 | A | 67.8 | Low | 80.4 | Confident | 74 Ų | 74 | 101.7 Ų | 101.7 | 61% | 0.612 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | 4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q449 | A444-Q449 VanDerWaalsContact C-OE1 3.32Å; A444-Q449 PolarHBondContact O-NE2 2.97Å; A444-Q449 PolarHBondContact O-OE1 3.22Å |
| 445 | D | 68.1 | Low | 80.5 | Confident | 156 Ų | 156 | 107.4 Ų | 107.4 | 83% | 0.834 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.8 | 19.2 | 173.6 | -63 | -43.4 | 0 | 0 | 0 | 111.4 | P443 | P443-D445 PolarHBondContact O-N 3.48Š|
| 446 | S | 77 | Confident | 80.5 | Confident | 30 Ų | 30 | 106.2 Ų | 106.2 | 21% | 0.21 | 56% | 0.558 | C | S | . | * | trans | -66 | 137.4 | 179.7 | -178.7 | 0 | 0 | 0 | 0 | 110.7 | P443 L448 Q449 | P443-S446 WeakPolarHBondContact O-CB 3.46Å; P443-S446 PolarHBondContact O-N 2.83Å; S446-L448 PolarHBondContact O-N 2.91Å; S446-L448 PolarHBondContact OG-N 2.92Å; S446-Q449 WeakPolarHBondContact O-CB 3.29Å; S446-Q449 PolarHBondContact O-N 2.84Å | ||
| 447 | I | 82.1 | Confident | 80.9 | Confident | 156 Ų | 156 | 103.1 Ų | 103.1 | 80% | 0.8 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -23.4 | 173.2 | -61.8 | 168.5 | 0 | 0 | 0 | 111.2 | ||
| 448 | L | 81.2 | Confident | 81.2 | Confident | 107 Ų | 107 | 98.9 Ų | 98.9 | 56% | 0.56 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -8.6 | 178.5 | -60 | 179.5 | 0 | 0 | 0 | 114.1 | S446 F451 T452 | S446-L448 PolarHBondContact O-N 2.91Å; S446-L448 PolarHBondContact OG-N 2.92Å; L448-F451 HydrophobicContact CD2-CD2 4.49Å; L448-F451 WeakPolarHBondContact O-CA 3.39Å; L448-F451 WeakPolarHBondContact O-CB 3.43Å; L448-F451 PolarHBondContact O-N 3.39Å; L448-T452 PolarHBondContact O-N 3.17Å; L448-T452 PolarHBondContact O-OG1 3.34Å |
| 449 | Q | 81.9 | Confident | 81.6 | Confident | 70 Ų | 70 | 98.2 Ų | 98.2 | 33% | 0.327 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -57.4 | -41.6 | -174.4 | -174.7 | 179.3 | 15.1 | 0 | 0 | 114.2 | A444 S446 F451 T452 D453 | A444-Q449 VanDerWaalsContact C-OE1 3.32Å; A444-Q449 PolarHBondContact O-NE2 2.97Å; A444-Q449 PolarHBondContact O-OE1 3.22Å; S446-Q449 WeakPolarHBondContact O-CB 3.29Å; S446-Q449 PolarHBondContact O-N 2.84Å; Q449-F451 PolarHBondContact O-N 3.48Å; Q449-T452 PolarHBondContact O-N 3.43Å; Q449-T452 VanDerWaalsContact O-N 3.15Å; Q449-D453 WeakPolarHBondContact O-CB 3.43Å; Q449-D453 VanDerWaalsContact O-CG 3.25Å; Q449-D453 PolarHBondContact O-N 2.96Å |
| 450 | P | 86.4 | Confident | 82 | Confident | 86 Ų | 86 | 103.1 Ų | 103.1 | 56% | 0.558 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -61.1 | -29.7 | 174.3 | -23.8 | 35.3 | 0 | 0 | 0 | 113.5 | Y454 | P450-Y454 WeakPolarHBondContact O-CB 3.44Å; P450-Y454 PolarHBondContact O-N 3.07Å; P450-Y454 VanDerWaalsContact O-N 3.11Å |
| 451 | F | 83.3 | Confident | 82.6 | Confident | 126 Ų | 126 | 99.1 Ų | 99.1 | 55% | 0.553 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -75.7 | -43.6 | 175.4 | -62 | -88.9 | 0 | 0 | 0 | 110.6 | L448 Q449 D453 Y454 Y455 | L448-F451 HydrophobicContact CD2-CD2 4.49Å; L448-F451 WeakPolarHBondContact O-CA 3.39Å; L448-F451 WeakPolarHBondContact O-CB 3.43Å; L448-F451 PolarHBondContact O-N 3.39Å; Q449-F451 PolarHBondContact O-N 3.48Å; F451-D453 VanDerWaalsContact C-N 3.32Å; F451-D453 PolarHBondContact O-N 3.22Å; F451-Y454 PolarHBondContact O-N 3.32Å; F451-Y455 WeakPolarHBondContact O-CD2 3.47Å; F451-Y455 PolarHBondContact O-N 3.06Å |
| 452 | T | 82.9 | Confident | 83.5 | Confident | 66 Ų | 66 | 96.2 Ų | 96.2 | 41% | 0.405 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -56.4 | -48.8 | 173.7 | -52 | 0 | 0 | 0 | 0 | 110.7 | L448 Q449 Y454 Y455 S456 | L448-T452 PolarHBondContact O-N 3.17Å; L448-T452 PolarHBondContact O-OG1 3.34Å; Q449-T452 PolarHBondContact O-N 3.43Å; Q449-T452 VanDerWaalsContact O-N 3.15Å; T452-Y454 VanDerWaalsContact C-N 3.32Å; T452-Y454 PolarHBondContact O-N 2.94Å; T452-Y455 PolarHBondContact O-N 3.25Å; T452-Y455 VanDerWaalsContact O-N 3.16Å; T452-S456 WeakPolarHBondContact O-CB 3.39Å; T452-S456 PolarHBondContact O-N 3.25Å; T452-S456 PolarHBondContact O-OG 2.97Å |
| 453 | D | 86 | Confident | 84.8 | Confident | 86 Ų | 86 | 99.5 Ų | 99.5 | 46% | 0.46 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.4 | -38.7 | 178.8 | -68.3 | -16.2 | 0 | 0 | 0 | 112.2 | Q449 F451 S456 Q457 | Q449-D453 WeakPolarHBondContact O-CB 3.43Å; Q449-D453 VanDerWaalsContact O-CG 3.25Å; Q449-D453 PolarHBondContact O-N 2.96Å; F451-D453 VanDerWaalsContact C-N 3.32Å; F451-D453 PolarHBondContact O-N 3.22Å; D453-S456 WeakPolarHBondContact CA-OG 3.43Å; D453-Q457 WeakPolarHBondContact O-CB 3.39Å; D453-Q457 PolarHBondContact O-N 2.9Å |
| 454 | Y | 88.3 | Confident | 85.6 | Confident | 141 Ų | 141 | 95.6 Ų | 95.6 | 55% | 0.553 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.4 | -40.9 | 175.5 | 176.9 | -98.8 | 0 | 0 | 0 | 112.3 | P450 F451 T452 Q457 | P450-Y454 WeakPolarHBondContact O-CB 3.44Å; P450-Y454 PolarHBondContact O-N 3.07Å; P450-Y454 VanDerWaalsContact O-N 3.11Å; F451-Y454 PolarHBondContact O-N 3.32Å; T452-Y454 VanDerWaalsContact C-N 3.32Å; T452-Y454 PolarHBondContact O-N 2.94Å; Y454-Q457 WeakPolarHBondContact O-CG 3.49Å; Y454-Q457 PolarHBondContact O-NE2 3.4Å |
| 455 | Y | 85.4 | Confident | 86.9 | Confident | 180 Ų | 180 | 96.2 Ų | 96.2 | 71% | 0.706 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -82.6 | -24.5 | 179.3 | -70 | -67.5 | 0 | 0 | 0 | 113.4 | F451 T452 | F451-Y455 WeakPolarHBondContact O-CD2 3.47Å; F451-Y455 PolarHBondContact O-N 3.06Å; T452-Y455 PolarHBondContact O-N 3.25Å; T452-Y455 VanDerWaalsContact O-N 3.16Å |
| 456 | S | 87.3 | Confident | 88.2 | Confident | 18 Ų | 18 | 91.7 Ų | 91.7 | 13% | 0.126 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -93.3 | -1.2 | 177.1 | 69.6 | 0 | 0 | 0 | 0 | 114 | T452 D453 A458 E459 | T452-S456 WeakPolarHBondContact O-CB 3.39Å; T452-S456 PolarHBondContact O-N 3.25Å; T452-S456 PolarHBondContact O-OG 2.97Å; D453-S456 WeakPolarHBondContact CA-OG 3.43Å; S456-A458 PolarHBondContact O-N 3.41Å; S456-E459 WeakPolarHBondContact O-CB 3.25Å; S456-E459 PolarHBondContact O-N 2.91Å |
| 457 | Q | 92.5 | Very high | 89 | Confident | 62 Ų | 62 | 95.6 Ų | 95.6 | 29% | 0.29 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -51.2 | -30.4 | -177.4 | 64.7 | -175.7 | -7.7 | 0 | 0 | 114.5 | D453 Y454 E459 H460 S461 A464 I468 | D453-Q457 WeakPolarHBondContact O-CB 3.39Å; D453-Q457 PolarHBondContact O-N 2.9Å; Y454-Q457 WeakPolarHBondContact O-CG 3.49Å; Y454-Q457 PolarHBondContact O-NE2 3.4Å; Q457-E459 VanDerWaalsContact C-N 3.31Å; Q457-E459 PolarHBondContact O-N 3.36Å; Q457-H460 PolarHBondContact O-N 2.93Å; Q457-S461 PolarHBondContact O-N 3.44Å; Q457-A464 HydrophobicContact CB-CB 4.08Å; Q457-A464 HydrophobicContact CG-CB 3.93Å; Q457-I468 HydrophobicContact CG-CD1 3.66Å |
| 458 | A | 91.7 | Very high | 89.5 | Confident | 28 Ų | 28 | 90.2 Ų | 90.2 | 23% | 0.231 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -68.5 | -27.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | S456 H460 L465 I468 | S456-A458 PolarHBondContact O-N 3.41Å; A458-H460 VanDerWaalsContact C-N 3.3Å; A458-L465 HydrophobicContact CB-CB 4.02Å; A458-L465 HydrophobicContact CB-CD1 3.88Å; A458-I468 HydrophobicContact CB-CD1 3.83Å |
| 459 | E | 89.5 | Confident | 90.1 | Very high | 157 Ų | 157 | 91.9 Ų | 91.9 | 73% | 0.734 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -74.9 | -24.4 | 178 | -56.4 | -171.5 | 178.5 | 0 | 0 | 112 | S456 Q457 | S456-E459 WeakPolarHBondContact O-CB 3.25Å; S456-E459 PolarHBondContact O-N 2.91Å; Q457-E459 VanDerWaalsContact C-N 3.31Å; Q457-E459 PolarHBondContact O-N 3.36Å |
| 460 | H | 89.5 | Confident | 90.6 | Very high | 143 Ų | 143 | 96.3 Ų | 96.3 | 66% | 0.662 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -111.6 | -14 | -173.2 | -52.5 | -38.7 | 0 | 0 | 0 | 113.4 | Q457 A458 | Q457-H460 PolarHBondContact O-N 2.93Å; A458-H460 VanDerWaalsContact C-N 3.3Å |
| 461 | S | 93.7 | Very high | 90.9 | Very high | 50 Ų | 50 | 95.9 Ų | 95.9 | 35% | 0.35 | 45% | 0.454 | S | S | . | . | trans | -139.8 | 116.7 | 179.9 | 177.2 | 0 | 0 | 0 | 0 | 112.1 | Q457 Q463 A464 L465 | Q457-S461 PolarHBondContact O-N 3.44Å; S461-Q463 PolarHBondContact O-N 3.07Å; S461-Q463 PolarHBondContact OG-N 3.47Å; S461-A464 PolarHBondContact O-N 3.04Å; S461-A464 VanDerWaalsContact O-N 3.16Å; S461-A464 PolarHBondContact OG-N 2.87Å; S461-L465 PolarHBondContact O-N 3.33Å | ||
| 462 | L | 94.1 | Very high | 91.2 | Very high | 122 Ų | 122 | 98.1 Ų | 98.1 | 64% | 0.639 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -58.8 | -35.5 | 174.7 | -179.8 | 62.1 | 0 | 0 | 0 | 112 | L465 I466 | L462-L465 HydrophobicContact CD1-CD2 4.34Å; L462-L465 PolarHBondContact O-N 3.47Å; L462-I466 HydrophobicContact CD1-CD1 4.32Å; L462-I466 HydrophobicContact CG-CD1 4.05Å; L462-I466 VanDerWaalsContact O-CG1 3.28Å; L462-I466 WeakPolarHBondContact O-CG1 3.37Å; L462-I466 PolarHBondContact O-N 3.46Å |
| 463 | Q | 95.6 | Very high | 91.4 | Very high | 132 Ų | 132 | 98 Ų | 98 | 62% | 0.617 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -69 | -39.6 | 178.1 | -67.7 | -59.4 | -34.4 | 0 | 0 | 111.7 | S461 I466 H467 | S461-Q463 PolarHBondContact O-N 3.07Å; S461-Q463 PolarHBondContact OG-N 3.47Å; Q463-I466 PolarHBondContact O-N 2.86Å; Q463-H467 WeakPolarHBondContact O-CB 3.27Å; Q463-H467 PolarHBondContact O-N 3.04Å |
| 464 | A | 93.9 | Very high | 91.4 | Very high | 17 Ų | 17 | 99.4 Ų | 99.4 | 14% | 0.14 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -64.2 | -42.3 | 175 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q457 S461 I466 H467 I468 | Q457-A464 HydrophobicContact CB-CB 4.08Å; Q457-A464 HydrophobicContact CG-CB 3.93Å; S461-A464 PolarHBondContact O-N 3.04Å; S461-A464 VanDerWaalsContact O-N 3.16Å; S461-A464 PolarHBondContact OG-N 2.87Å; A464-I466 PolarHBondContact O-N 3.35Å; A464-H467 PolarHBondContact O-N 3.4Å; A464-I468 WeakPolarHBondContact O-CB 3.14Å; A464-I468 WeakPolarHBondContact O-CD1 3.37Å; A464-I468 VanDerWaalsContact O-CG1 3.24Å; A464-I468 WeakPolarHBondContact O-CG1 3.47Å; A464-I468 PolarHBondContact O-N 2.99Å |
| 465 | L | 94.6 | Very high | 91.2 | Very high | 87 Ų | 87 | 100.4 Ų | 100.4 | 46% | 0.455 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -57.5 | -48 | 173.8 | 177 | 67.1 | 0 | 0 | 0 | 111.9 | A458 S461 L462 H467 R469 | A458-L465 HydrophobicContact CB-CB 4.02Å; A458-L465 HydrophobicContact CB-CD1 3.88Å; S461-L465 PolarHBondContact O-N 3.33Å; L462-L465 HydrophobicContact CD1-CD2 4.34Å; L462-L465 PolarHBondContact O-N 3.47Å; L465-H467 VanDerWaalsContact C-N 3.34Å; L465-H467 PolarHBondContact O-N 3.35Å; L465-R469 WeakPolarHBondContact O-CB 3.19Å; L465-R469 PolarHBondContact O-N 3.18Å |
| 466 | I | 94.6 | Very high | 91 | Very high | 62 Ų | 62 | 97.4 Ų | 97.4 | 32% | 0.318 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.3 | -41.5 | 178.8 | -68.4 | 166.4 | 0 | 0 | 0 | 110.9 | L462 Q463 A464 R469 R470 | L462-I466 HydrophobicContact CD1-CD1 4.32Å; L462-I466 HydrophobicContact CG-CD1 4.05Å; L462-I466 VanDerWaalsContact O-CG1 3.28Å; L462-I466 WeakPolarHBondContact O-CG1 3.37Å; L462-I466 PolarHBondContact O-N 3.46Å; Q463-I466 PolarHBondContact O-N 2.86Å; A464-I466 PolarHBondContact O-N 3.35Å; I466-R469 PolarHBondContact O-N 3.23Å; I466-R470 WeakPolarHBondContact O-CG 3.38Å; I466-R470 PolarHBondContact O-N 3.5Å |
| 467 | H | 94.2 | Very high | 90.7 | Very high | 111 Ų | 111 | 99.1 Ų | 99.1 | 51% | 0.514 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.5 | -51 | 179.9 | -174 | 40.7 | 0 | 0 | 0 | 111.8 | Q463 A464 L465 R469 R470 D471 | Q463-H467 WeakPolarHBondContact O-CB 3.27Å; Q463-H467 PolarHBondContact O-N 3.04Å; A464-H467 PolarHBondContact O-N 3.4Å; L465-H467 VanDerWaalsContact C-N 3.34Å; L465-H467 PolarHBondContact O-N 3.35Å; H467-R469 PolarHBondContact O-N 3.49Å; H467-R470 WeakPolarHBondContact O-CB 3.31Å; H467-R470 PolarHBondContact O-N 2.94Å; H467-D471 IonicContact CD2-OD2 3.93Å; H467-D471 IonicContact CE1-OD1 3.18Å; H467-D471 PolarHBondContact CE1-OD1 3.33Å; H467-D471 IonicContact CE1-OD2 3.35Å; H467-D471 IonicContact ND1-OD1 2.82Å; H467-D471 IonicContact ND1-OD2 3.54Å; H467-D471 IonicContact NE2-OD2 3.58Å; H467-D471 PolarHBondContact O-N 2.91Å |
| 468 | I | 92.9 | Very high | 90.2 | Very high | 44 Ų | 44 | 99.5 Ų | 99.5 | 23% | 0.226 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -52.4 | -46.2 | 173.8 | -69.7 | 161.2 | 0 | 0 | 0 | 109.6 | Q457 A458 A464 R470 D471 W472 | Q457-I468 HydrophobicContact CG-CD1 3.66Å; A458-I468 HydrophobicContact CB-CD1 3.83Å; A464-I468 WeakPolarHBondContact O-CB 3.14Å; A464-I468 WeakPolarHBondContact O-CD1 3.37Å; A464-I468 VanDerWaalsContact O-CG1 3.24Å; A464-I468 WeakPolarHBondContact O-CG1 3.47Å; A464-I468 PolarHBondContact O-N 2.99Å; I468-R470 PolarHBondContact O-N 3.35Å; I468-D471 PolarHBondContact O-N 3.28Å; I468-W472 PolarHBondContact O-N 2.9Å |
| 469 | R | 93.1 | Very high | 89.3 | Confident | 141 Ų | 141 | 103.2 Ų | 103.2 | 53% | 0.532 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.1 | -44 | 179.7 | -178.2 | 63.7 | -159.2 | -176.2 | 5.1 | 112.4 | L465 I466 H467 D471 W472 D473 | L465-R469 WeakPolarHBondContact O-CB 3.19Å; L465-R469 PolarHBondContact O-N 3.18Å; I466-R469 PolarHBondContact O-N 3.23Å; H467-R469 PolarHBondContact O-N 3.49Å; R469-D471 VanDerWaalsContact C-N 3.33Å; R469-D471 PolarHBondContact O-N 2.94Å; R469-W472 PolarHBondContact O-N 2.94Å; R469-D473 IonicContact CZ-OD1 3.63Å; R469-D473 IonicContact NE-OD1 3.92Å; R469-D473 PolarHBondContact NE-OD1 2.95Å; R469-D473 IonicContact NE-OD2 2.86Å; R469-D473 IonicContact NH2-OD1 2.79Å; R469-D473 PolarHBondContact NH2-OD1 3.46Å; R469-D473 PolarHBondContact O-N 3.24Å |
| 470 | R | 93.1 | Very high | 88.8 | Confident | 164 Ų | 164 | 103 Ų | 103 | 62% | 0.619 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.2 | -40.3 | 176.6 | -75.5 | 174.2 | 174.8 | 171.4 | -0.2 | 112.2 | I466 H467 I468 W472 D473 V474 | I466-R470 WeakPolarHBondContact O-CG 3.38Å; I466-R470 PolarHBondContact O-N 3.5Å; H467-R470 WeakPolarHBondContact O-CB 3.31Å; H467-R470 PolarHBondContact O-N 2.94Å; I468-R470 PolarHBondContact O-N 3.35Å; R470-W472 VanDerWaalsContact C-N 3.31Å; R470-W472 PolarHBondContact O-N 3.32Å; R470-D473 PolarHBondContact O-N 3.01Å; R470-V474 PolarHBondContact O-N 3.28Å |
| 471 | D | 91.8 | Very high | 88.4 | Confident | 76 Ų | 76 | 100.5 Ų | 100.5 | 41% | 0.406 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.7 | -39.1 | 178.2 | -64.4 | -11.2 | 0 | 0 | 0 | 110.9 | H467 I468 R469 F475 | H467-D471 IonicContact CD2-OD2 3.93Å; H467-D471 IonicContact CE1-OD1 3.18Å; H467-D471 PolarHBondContact CE1-OD1 3.33Å; H467-D471 IonicContact CE1-OD2 3.35Å; H467-D471 IonicContact ND1-OD1 2.82Å; H467-D471 IonicContact ND1-OD2 3.54Å; H467-D471 IonicContact NE2-OD2 3.58Å; H467-D471 PolarHBondContact O-N 2.91Å; I468-D471 PolarHBondContact O-N 3.28Å; R469-D471 VanDerWaalsContact C-N 3.33Å; R469-D471 PolarHBondContact O-N 2.94Å; D471-F475 WeakPolarHBondContact O-CD2 3.27Å; D471-F475 WeakPolarHBondContact O-CE2 3.36Å |
| 472 | W | 89.6 | Confident | 87.6 | Confident | 173 Ų | 173 | 103.7 Ų | 103.7 | 66% | 0.655 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -68.7 | -35.5 | 172.6 | -78.5 | 107 | 0 | 0 | 0 | 113.3 | I468 R469 R470 V474 F475 | I468-W472 PolarHBondContact O-N 2.9Å; R469-W472 PolarHBondContact O-N 2.94Å; R470-W472 VanDerWaalsContact C-N 3.31Å; R470-W472 PolarHBondContact O-N 3.32Å; W472-V474 PolarHBondContact O-N 2.9Å; W472-F475 HydrophobicContact CE3-CD2 4.48Å; W472-F475 PolarHBondContact O-N 3.29Å |
| 473 | D | 88.6 | Confident | 86.7 | Confident | 63 Ų | 63 | 104.6 Ų | 104.6 | 34% | 0.337 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.3 | -21.5 | -179 | -72.7 | -24.8 | 0 | 0 | 0 | 112.5 | R469 R470 F475 L476 | R469-D473 IonicContact CZ-OD1 3.63Å; R469-D473 IonicContact NE-OD1 3.92Å; R469-D473 PolarHBondContact NE-OD1 2.95Å; R469-D473 IonicContact NE-OD2 2.86Å; R469-D473 IonicContact NH2-OD1 2.79Å; R469-D473 PolarHBondContact NH2-OD1 3.46Å; R469-D473 PolarHBondContact O-N 3.24Å; R470-D473 PolarHBondContact O-N 3.01Å; D473-F475 PolarHBondContact O-N 3.01Å; D473-L476 HydrophobicContact CB-CD1 4.15Å; D473-L476 WeakPolarHBondContact O-CB 3.44Å; D473-L476 PolarHBondContact O-N 3.45Å; D473-L476 VanDerWaalsContact O-N 3.16Å; D473-L476 VanDerWaalsContact OD1-CD1 3.28Å; D473-L476 WeakPolarHBondContact OD1-CD1 3.48Å |
| 474 | V | 86 | Confident | 85.8 | Confident | 117 Ų | 117 | 100.2 Ų | 100.2 | 71% | 0.709 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -26.1 | 173.1 | 178.5 | 0 | 0 | 0 | 0 | 112.3 | R470 W472 | R470-V474 PolarHBondContact O-N 3.28Å; W472-V474 PolarHBondContact O-N 2.9Å |
| 475 | F | 82.9 | Confident | 84.8 | Confident | 162 Ų | 162 | 104.9 Ų | 104.9 | 71% | 0.711 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | 1.6 | 179.2 | -57 | -77.5 | 0 | 0 | 0 | 113.2 | D471 W472 D473 A477 | D471-F475 WeakPolarHBondContact O-CD2 3.27Å; D471-F475 WeakPolarHBondContact O-CE2 3.36Å; W472-F475 HydrophobicContact CE3-CD2 4.48Å; W472-F475 PolarHBondContact O-N 3.29Å; D473-F475 PolarHBondContact O-N 3.01Å; F475-A477 PolarHBondContact O-N 3.36Å |
| 476 | L | 82.2 | Confident | 83.9 | Confident | 117 Ų | 117 | 103.9 Ų | 103.9 | 61% | 0.613 | 58% | 0.58 | S | S | * | * | trans | -77.6 | 110.3 | 173.6 | -65 | 175.8 | 0 | 0 | 0 | 109.6 | D473 | D473-L476 HydrophobicContact CB-CD1 4.15Å; D473-L476 WeakPolarHBondContact O-CB 3.44Å; D473-L476 PolarHBondContact O-N 3.45Å; D473-L476 VanDerWaalsContact O-N 3.16Å; D473-L476 VanDerWaalsContact OD1-CD1 3.28Å; D473-L476 WeakPolarHBondContact OD1-CD1 3.48Å | ||
| 477 | A | 81.1 | Confident | 83 | Confident | 54 Ų | 54 | 107.4 Ų | 107.4 | 45% | 0.446 | 61% | 0.605 | S | S | . | * | trans | -90.5 | 156.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | F475 H481 | F475-A477 PolarHBondContact O-N 3.36Å; A477-H481 HydrophobicContact CB-CB 3.69Å | ||
| 478 | A | 81.1 | Confident | 82 | Confident | 70 Ų | 70 | 106 Ų | 106 | 58% | 0.579 | 61% | 0.605 | S | S | * | * | trans | -58.5 | 149 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | D480 H481 | A478-D480 PolarHBondContact O-N 2.89Å; A478-H481 VanDerWaalsContact O-CB 3.23Å; A478-H481 WeakPolarHBondContact O-CB 3.35Å; A478-H481 PolarHBondContact O-N 2.79Å | ||
| 479 | A | 73.8 | Confident | 81.2 | Confident | 106 Ų | 106 | 114 Ų | 114 | 88% | 0.876 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.2 | -22.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 480 | D | 78.3 | Confident | 80.4 | Confident | 152 Ų | 152 | 109.7 Ų | 109.7 | 81% | 0.813 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.5 | 4.3 | -175.4 | -34.4 | -36.9 | 0 | 0 | 0 | 112.3 | A478 | A478-D480 PolarHBondContact O-N 2.89Š|
| 481 | H | 81.4 | Confident | 79.6 | Confident | 91 Ų | 91 | 113.8 Ų | 113.8 | 42% | 0.421 | 66% | 0.657 | S | S | . | * | trans | -72.2 | 127.6 | -177.2 | -166.5 | -81.7 | 0 | 0 | 0 | 110.3 | A477 A478 D483 G484 | A477-H481 HydrophobicContact CB-CB 3.69Å; A478-H481 VanDerWaalsContact O-CB 3.23Å; A478-H481 WeakPolarHBondContact O-CB 3.35Å; A478-H481 PolarHBondContact O-N 2.79Å; H481-D483 IonicContact CE1-OD2 3.48Å; H481-D483 PolarHBondContact ND1-N 2.92Å; H481-D483 PolarHBondContact O-N 2.91Å; H481-G484 PolarHBondContact O-N 3.02Å | ||
| 482 | P | 76.9 | Confident | 78.9 | Confident | 117 Ų | 117 | 115.5 Ų | 115.5 | 76% | 0.76 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | -29.4 | -172.6 | 23.6 | -33.9 | 0 | 0 | 0 | 113.6 | ||
| 483 | D | 75.1 | Confident | 78.1 | Confident | 140 Ų | 140 | 114 Ų | 114 | 75% | 0.749 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95 | 8.3 | 176.9 | -52.4 | -44.3 | 0 | 0 | 0 | 113.4 | H481 | H481-D483 IonicContact CE1-OD2 3.48Å; H481-D483 PolarHBondContact ND1-N 2.92Å; H481-D483 PolarHBondContact O-N 2.91Å |
| 484 | G | 75.9 | Confident | 77.3 | Confident | 41 Ų | 41 | 116.7 Ų | 116.7 | 42% | 0.423 | 70% | 0.695 | S | S | . | * | P | Polyproline II helix | trans | -79.9 | 120 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | H481 | H481-G484 PolarHBondContact O-N 3.02Š|
| 485 | S | 73.2 | Confident | 76.8 | Confident | 115 Ų | 115 | 118.4 Ų | 118.4 | 80% | 0.804 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -92.3 | 129.1 | 170.7 | 60.3 | 0 | 0 | 0 | 0 | 111 | ||
| 486 | G | 75.8 | Confident | 76.5 | Confident | 66 Ų | 66 | 116 Ų | 116 | 68% | 0.68 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 151.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112 | P488 | G486-P488 WeakPolarHBondContact O-CD 3.29Š|
| 487 | V | 76.7 | Confident | 76.5 | Confident | 136 Ų | 136 | 113.2 Ų | 113.2 | 82% | 0.824 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 124.6 | 170.8 | -179.5 | 0 | 0 | 0 | 0 | 108.4 | Q489 | V487-Q489 PolarHBondContact O-N 3.38Š|
| 488 | P | 73.4 | Confident | 76.5 | Confident | 82 Ų | 82 | 115.3 Ų | 115.3 | 53% | 0.532 | 70% | 0.704 | S | S | . | * | P | Polyproline II helix | trans | -58 | 131.2 | 178.9 | -24.1 | 33.8 | 0 | 0 | 0 | 110.9 | G486 G490 V492 | G486-P488 WeakPolarHBondContact O-CD 3.29Å; P488-G490 PolarHBondContact O-N 2.93Å; P488-V492 HydrophobicContact CB-CG2 3.81Å; P488-V492 HydrophobicContact CG-CG2 3.66Å |
| 489 | Q | 74.1 | Confident | 76.7 | Confident | 210 Ų | 210 | 116.7 Ų | 116.7 | 98% | 0.981 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -79.3 | -0.7 | 177.9 | -67 | -174.8 | -3.8 | 0 | 0 | 113.3 | V487 | V487-Q489 PolarHBondContact O-N 3.38Š|
| 490 | G | 77 | Confident | 77.1 | Confident | 52 Ų | 52 | 118.6 Ų | 118.6 | 54% | 0.536 | 69% | 0.692 | S | S | . | * | S | Bend | trans | -142.7 | -177.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | P488 V492 | P488-G490 PolarHBondContact O-N 2.93Å; G490-V492 PolarHBondContact O-N 3.36Å |
| 491 | W | 76.2 | Confident | 77.2 | Confident | 249 Ų | 249 | 117.7 Ų | 117.7 | 94% | 0.943 | 69% | 0.687 | S | S | * | * | trans | -62.6 | 123.3 | 178.2 | -66.8 | 99.9 | 0 | 0 | 0 | 110.8 | L493 | W491-L493 PolarHBondContact O-N 3.3Š| ||
| 492 | V | 77 | Confident | 77 | Confident | 112 Ų | 112 | 121.5 Ų | 121.5 | 68% | 0.679 | 70% | 0.698 | S | S | * | * | trans | -79 | 107.9 | 170.2 | -176.9 | 0 | 0 | 0 | 0 | 106.9 | P488 G490 | P488-V492 HydrophobicContact CB-CG2 3.81Å; P488-V492 HydrophobicContact CG-CG2 3.66Å; G490-V492 PolarHBondContact O-N 3.36Å | ||
| 493 | L | 72.3 | Confident | 77.2 | Confident | 143 Ų | 143 | 116.7 Ų | 116.7 | 75% | 0.749 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 135.1 | 172.1 | -65.1 | 173.2 | 0 | 0 | 0 | 108.2 | W491 | W491-L493 PolarHBondContact O-N 3.3Š|
| 494 | P | 73.8 | Confident | 77.4 | Confident | 118 Ų | 118 | 113 Ų | 113 | 77% | 0.766 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 143.6 | 175.5 | 24.1 | -30.6 | 0 | 0 | 0 | 110 | ||
| 495 | D | 75.1 | Confident | 77.2 | Confident | 154 Ų | 154 | 114 Ų | 114 | 82% | 0.824 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 156.5 | 173.4 | -68.3 | -43 | 0 | 0 | 0 | 110.6 | ||
| 496 | S | 76.9 | Confident | 77 | Confident | 111 Ų | 111 | 114.3 Ų | 114.3 | 78% | 0.776 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 138.5 | 174.4 | -64 | 0 | 0 | 0 | 0 | 109.9 | S498 | S496-S498 PolarHBondContact O-N 3.13Š|
| 497 | P | 81.1 | Confident | 76.4 | Confident | 59 Ų | 59 | 117.8 Ų | 117.8 | 38% | 0.383 | 65% | 0.648 | S | S | . | * | P | Polyproline II helix | trans | -53.3 | 129.3 | -175.1 | 19.5 | -31.4 | 0 | 0 | 0 | 110.3 | D499 W502 A503 L506 | P497-D499 PolarHBondContact O-N 2.71Å; P497-W502 HydrophobicContact CB-CB 4.1Å; P497-A503 HydrophobicContact CB-CB 4.01Å; P497-A503 HydrophobicContact CG-CB 3.6Å; P497-L506 HydrophobicContact CB-CD1 4.44Å |
| 498 | S | 82.4 | Confident | 75.3 | Confident | 98 Ų | 98 | 115.6 Ų | 115.6 | 69% | 0.685 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -63.9 | -27.8 | -173.3 | 59.2 | 0 | 0 | 0 | 0 | 113 | S496 | S496-S498 PolarHBondContact O-N 3.13Š|
| 499 | D | 84 | Confident | 74 | Confident | 98 Ų | 98 | 115.2 Ų | 115.2 | 52% | 0.524 | 65% | 0.648 | S | S | . | * | S | Bend | trans | -140.4 | 154.7 | -177.2 | -62.7 | -63.1 | 0 | 0 | 0 | 112.3 | P497 N501 W502 A503 | P497-D499 PolarHBondContact O-N 2.71Å; D499-N501 PolarHBondContact O-N 3.5Å; D499-N501 VanDerWaalsContact O-N 3.15Å; D499-W502 PolarHBondContact O-N 3.26Å; D499-A503 PolarHBondContact O-N 3.06Å |
| 500 | Q | 82.1 | Confident | 72.6 | Confident | 146 Ų | 146 | 111.8 Ų | 111.8 | 68% | 0.682 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -58 | -30.2 | -179.5 | -168.1 | 65 | 21.2 | 0 | 0 | 113.4 | A503 S504 | Q500-A503 PolarHBondContact O-N 3.48Å; Q500-S504 PolarHBondContact O-N 3.26Å; Q500-S504 PolarHBondContact O-OG 2.69Å |
| 501 | N | 80.9 | Confident | 71.3 | Confident | 133 Ų | 133 | 114.8 Ų | 114.8 | 71% | 0.711 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -70.3 | -33.2 | 177.7 | -68.4 | -17 | 0 | 0 | 0 | 112.7 | D499 S504 | D499-N501 PolarHBondContact O-N 3.5Å; D499-N501 VanDerWaalsContact O-N 3.15Å; N501-S504 PolarHBondContact O-OG 3.21Å |
| 502 | W | 77.7 | Confident | 69.6 | Low | 171 Ų | 171 | 110.7 Ų | 110.7 | 65% | 0.648 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -77.3 | -36.9 | 173.9 | -77.1 | 108.2 | 0 | 0 | 0 | 111.1 | P497 D499 S504 A505 L506 | P497-W502 HydrophobicContact CB-CB 4.1Å; D499-W502 PolarHBondContact O-N 3.26Å; W502-S504 VanDerWaalsContact C-N 3.31Å; W502-S504 PolarHBondContact O-N 3.35Å; W502-A505 PolarHBondContact O-N 3.27Å; W502-L506 PolarHBondContact O-N 2.95Å |
| 503 | A | 81 | Confident | 68 | Low | 16 Ų | 16 | 109.1 Ų | 109.1 | 13% | 0.132 | 65% | 0.649 | C | S | . | * | H | α-helix | trans | -60.2 | -39.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | P497 D499 Q500 L506 Q507 | P497-A503 HydrophobicContact CB-CB 4.01Å; P497-A503 HydrophobicContact CG-CB 3.6Å; D499-A503 PolarHBondContact O-N 3.06Å; Q500-A503 PolarHBondContact O-N 3.48Å; A503-L506 PolarHBondContact O-N 3.16Å; A503-Q507 PolarHBondContact O-N 3.44Å |
| 504 | S | 78.8 | Confident | 66.1 | Low | 63 Ų | 63 | 114.2 Ų | 114.2 | 44% | 0.441 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -70.8 | -29.3 | 179.2 | 62.1 | 0 | 0 | 0 | 0 | 113.6 | Q500 N501 W502 | Q500-S504 PolarHBondContact O-N 3.26Å; Q500-S504 PolarHBondContact O-OG 2.69Å; N501-S504 PolarHBondContact O-OG 3.21Å; W502-S504 VanDerWaalsContact C-N 3.31Å; W502-S504 PolarHBondContact O-N 3.35Å |
| 505 | A | 72.3 | Confident | 65.7 | Low | 61 Ų | 61 | 114 Ų | 114 | 50% | 0.504 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -71 | -32.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | W502 | W502-A505 PolarHBondContact O-N 3.27Å |
| 506 | L | 68.4 | Low | 65.3 | Low | 122 Ų | 122 | 111.9 Ų | 111.9 | 64% | 0.639 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -75.1 | -29.9 | 176.7 | -67.9 | 169.7 | 0 | 0 | 0 | 112.5 | P497 W502 A503 A508 | P497-L506 HydrophobicContact CB-CD1 4.44Å; W502-L506 PolarHBondContact O-N 2.95Å; A503-L506 PolarHBondContact O-N 3.16Å; L506-A508 VanDerWaalsContact C-N 3.32Å; L506-A508 PolarHBondContact O-N 3.08Å |
| 507 | Q | 62.3 | Low | 64.6 | Low | 140 Ų | 140 | 111.9 Ų | 111.9 | 65% | 0.654 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -73.1 | -20.3 | 176.9 | -73.9 | 178.8 | 3.1 | 0 | 0 | 113.9 | A503 A509 | A503-Q507 PolarHBondContact O-N 3.44Å; Q507-A509 PolarHBondContact O-N 3.34Å |
| 508 | A | 54.5 | Low | 63.6 | Low | 90 Ų | 90 | 115.1 Ų | 115.1 | 74% | 0.744 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | -6.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | L506 | L506-A508 VanDerWaalsContact C-N 3.32Å; L506-A508 PolarHBondContact O-N 3.08Å |
| 509 | A | 46.6 | Very low | 62.5 | Low | 73 Ų | 73 | 116.1 Ų | 116.1 | 60% | 0.603 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.7 | 17.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114 | Q507 P511 | Q507-A509 PolarHBondContact O-N 3.34Å; A509-P511 WeakPolarHBondContact O-CD 3.15Å |
| 510 | D | 43.5 | Very low | 61 | Low | 138 Ų | 138 | 117.3 Ų | 117.3 | 74% | 0.738 | 68% | 0.683 | S | S | * | * | trans | -86 | 97.8 | 161.6 | -82.7 | -31.3 | 0 | 0 | 0 | 108.3 | D512 | D510-D512 PolarHBondContact O-N 3.17Š| ||
| 511 | P | 49.6 | Very low | 59.5 | Low | 115 Ų | 115 | 115.3 Ų | 115.3 | 75% | 0.747 | 68% | 0.683 | S | S | * | * | trans | -68.7 | 126.8 | 156.7 | 31.1 | -31 | 0 | 0 | 0 | 107.1 | A509 | A509-P511 WeakPolarHBondContact O-CD 3.15Š| ||
| 512 | D | 41.4 | Very low | 57.9 | Low | 163 Ų | 163 | 113.9 Ų | 113.9 | 87% | 0.872 | 68% | 0.68 | S | S | * | * | trans | -29.4 | 132.1 | 175.9 | -66.9 | -56.1 | 0 | 0 | 0 | 114.7 | D510 L514 | D510-D512 PolarHBondContact O-N 3.17Å; D512-L514 PolarHBondContact O-N 3.41Å | ||
| 513 | G | 44.1 | Very low | 56.2 | Low | 79 Ų | 79 | 109.2 Ų | 109.2 | 81% | 0.814 | 68% | 0.683 | S | S | * | * | trans | -56.5 | 128.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 514 | L | 32.3 | Very low | 54 | Low | 250 Ų | 250 | 117.6 Ų | 117.6 | 100% | 1.309 | 73% | 0.733 | S | S | * | * | trans | -146.2 | 0 | 152.6 | -101.9 | 166.7 | 0 | 0 | 0 | 109.4 | D512 | D512-L514 PolarHBondContact O-N 3.41Š|
Retrieved 514 of 514 residues in 82.4 ms
(Link to these results)