| 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 | 46.5 | Very low | 49.9 | Very low | 242 Ų | 242 | 169 Ų | 169 | 100% | 1.192 | 90% | 0.899 | S | S | * | * | 0 | 116.1 | 0 | -72.3 | -179 | -173.7 | 0 | 0 | 108.3 | |||||
| 2 | E | 59.9 | Low | 50.1 | Low | 202 Ų | 202 | 163.6 Ų | 163.6 | 94% | 0.944 | 90% | 0.895 | S | S | * | * | trans | -64.7 | 142.2 | -166.8 | -74.6 | 170.8 | 127.8 | 0 | 0 | 114 | ||||
| 3 | K | 65.7 | Low | 49.6 | Very low | 203 Ų | 203 | 159.8 Ų | 159.8 | 88% | 0.883 | 89% | 0.888 | S | S | * | * | trans | -88 | 119.4 | 178.9 | -65.7 | 179.6 | 178.1 | -179.1 | 0 | 110.6 | ||||
| 4 | R | 50.6 | Low | 49.5 | Very low | 240 Ų | 240 | 155.8 Ų | 155.8 | 91% | 0.906 | 89% | 0.886 | S | S | * | * | trans | 48.2 | 111.5 | 136.5 | -73.6 | -178.1 | 172.8 | 178.4 | -2.8 | 122.2 | ||||
| 5 | K | 45.5 | Very low | 49.5 | Very low | 195 Ų | 195 | 151.3 Ų | 151.3 | 85% | 0.848 | 88% | 0.875 | S | S | * | * | 43.3 | 115.6 | 111.8 | -73.8 | -163.8 | 178.9 | -171.5 | 0 | 123.3 | |||||
| 6 | T | 48.5 | Very low | 49.6 | Very low | 135 Ų | 135 | 153.8 Ų | 153.8 | 83% | 0.828 | 88% | 0.876 | S | S | * | * | 46.6 | 132.2 | 127.6 | 47.4 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 7 | A | 49.2 | Very low | 49.4 | Very low | 101 Ų | 101 | 153.2 Ų | 153.2 | 84% | 0.835 | 88% | 0.877 | S | S | * | * | -179.3 | 129.5 | 123.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | |||||
| 8 | G | 37.7 | Very low | 49.9 | Very low | 83 Ų | 83 | 151.6 Ų | 151.6 | 86% | 0.856 | 87% | 0.873 | S | S | * | * | 77.6 | 99.3 | 58.3 | 0 | 0 | 0 | 0 | 0 | 110 | |||||
| 9 | G | 49.1 | Very low | 50.1 | Low | 73 Ų | 73 | 151.4 Ų | 151.4 | 75% | 0.753 | 88% | 0.875 | S | S | * | * | trans | -173.5 | 79.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 10 | N | 51.7 | Low | 50.4 | Low | 167 Ų | 167 | 149.6 Ų | 149.6 | 89% | 0.893 | 87% | 0.871 | S | S | * | * | trans | 49.7 | 117.1 | 140.9 | -64.4 | -0.5 | 0 | 0 | 0 | 122.9 | ||||
| 11 | K | 44.2 | Very low | 51.1 | Low | 218 Ų | 218 | 148.2 Ų | 148.2 | 95% | 0.948 | 87% | 0.867 | S | S | * | * | trans | -59.4 | 142.2 | 152.6 | -75.8 | 178.6 | 174.2 | 178.9 | 0 | 111 | ||||
| 12 | A | 52.6 | Low | 51.5 | Low | 104 Ų | 104 | 146.2 Ų | 146.2 | 86% | 0.86 | 85% | 0.852 | S | S | * | * | trans | -119.2 | 125.4 | 156.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 13 | S | 43.5 | Very low | 51.7 | Low | 115 Ų | 115 | 142.2 Ų | 142.2 | 80% | 0.804 | 84% | 0.843 | S | S | * | * | trans | -73.1 | 139.6 | 174.4 | -178.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 14 | A | 48.8 | Very low | 51.6 | Low | 103 Ų | 103 | 142.7 Ų | 142.7 | 85% | 0.851 | 85% | 0.845 | S | S | * | * | trans | -154.8 | 97.8 | 154.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 15 | A | 49.2 | Very low | 51.6 | Low | 88 Ų | 88 | 140.7 Ų | 140.7 | 73% | 0.727 | 85% | 0.846 | S | S | * | * | trans | -69.1 | 141.3 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 16 | Q | 51.1 | Low | 52 | Low | 192 Ų | 192 | 136.2 Ų | 136.2 | 90% | 0.897 | 85% | 0.845 | S | S | * | * | trans | 174.9 | 110.5 | 135.7 | -97 | 171.1 | 15.3 | 0 | 0 | 110.1 | ||||
| 17 | T | 46.5 | Very low | 52.3 | Low | 144 Ų | 144 | 139.1 Ų | 139.1 | 88% | 0.883 | 85% | 0.846 | S | S | * | * | trans | -93.6 | 129.5 | 166.9 | 11.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 18 | P | 58.4 | Low | 52.8 | Low | 124 Ų | 124 | 143.1 Ų | 143.1 | 81% | 0.805 | 85% | 0.845 | S | S | * | * | trans | -104 | 139.7 | 155.4 | 9.9 | 9 | 0 | 0 | 0 | 111.2 | ||||
| 19 | T | 53.4 | Low | 53.4 | Low | 148 Ų | 148 | 146.3 Ų | 146.3 | 91% | 0.908 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 151.1 | -171.8 | 1.6 | 0 | 0 | 0 | 0 | 114.5 | ||
| 20 | S | 55.9 | Low | 53.5 | Low | 115 Ų | 115 | 149.1 Ų | 149.1 | 80% | 0.804 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 139.3 | 178.9 | -164.6 | 0 | 0 | 0 | 0 | 112.6 | ||
| 21 | P | 66.1 | Low | 53.7 | Low | 121 Ų | 121 | 149.9 Ų | 149.9 | 79% | 0.786 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 136 | 173.3 | 30.9 | -29.3 | 0 | 0 | 0 | 112.6 | ||
| 22 | K | 53.5 | Low | 54 | Low | 200 Ų | 200 | 149 Ų | 149 | 87% | 0.87 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 130.2 | -177.3 | -172.6 | 175.5 | -173.8 | 171.6 | 0 | 113.6 | ||
| 23 | P | 63.9 | Low | 54.2 | Low | 117 Ų | 117 | 149 Ų | 149 | 76% | 0.76 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 134.2 | 170 | 29 | -29.4 | 0 | 0 | 0 | 111.2 | ||
| 24 | K | 63.6 | Low | 54.8 | Low | 213 Ų | 213 | 153 Ų | 153 | 93% | 0.926 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -74 | 124.2 | 174.2 | -76.4 | 178.5 | 176 | 177 | 0 | 109.9 | A26 | K24-A26 PolarHBondContact O-N 3.44Š|
| 25 | Q | 51.4 | Low | 55 | Low | 199 Ų | 199 | 155.1 Ų | 155.1 | 93% | 0.93 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 122.2 | 171.9 | -74.4 | 175.4 | -22.5 | 0 | 0 | 111.1 | ||
| 26 | A | 53.7 | Low | 55.3 | Low | 100 Ų | 100 | 160.4 Ų | 160.4 | 83% | 0.826 | 83% | 0.83 | S | S | * | * | trans | -105.9 | 117.3 | 162.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | K24 | K24-A26 PolarHBondContact O-N 3.44Š| ||
| 27 | K | 55.7 | Low | 55.4 | Low | 196 Ų | 196 | 159 Ų | 159 | 85% | 0.852 | 82% | 0.823 | S | S | * | * | trans | -60.6 | 134.5 | 172.8 | -70.1 | 168.7 | 166 | 172.2 | 0 | 110.9 | ||||
| 28 | K | 58.3 | Low | 55.3 | Low | 186 Ų | 186 | 157.7 Ų | 157.7 | 81% | 0.809 | 81% | 0.811 | S | S | * | * | 157.6 | 135.8 | 115.2 | -84.7 | 175.9 | -178.1 | -177.4 | 0 | 112.6 | |||||
| 29 | N | 52.1 | Low | 55.1 | Low | 150 Ų | 150 | 158.4 Ų | 158.4 | 80% | 0.802 | 82% | 0.815 | S | S | * | * | trans | 82.2 | 111.3 | 156 | -64.8 | -16.7 | 0 | 0 | 0 | 120 | ||||
| 30 | P | 49.7 | Very low | 55 | Low | 132 Ų | 132 | 155.3 Ų | 155.3 | 86% | 0.857 | 81% | 0.805 | S | S | * | * | trans | -89.9 | 107.5 | 166 | 34.3 | -23.9 | 0 | 0 | 0 | 109 | ||||
| 31 | K | 57.3 | Low | 54.6 | Low | 183 Ų | 183 | 154.5 Ų | 154.5 | 80% | 0.796 | 80% | 0.795 | S | S | * | * | trans | -133.4 | 107.7 | 155.1 | -161.4 | 165.8 | -175.9 | 174.6 | 0 | 107 | T33 | K31-T33 VanDerWaalsContact C-N 3.32Å; K31-T33 PolarHBondContact O-N 3.06Å | ||
| 32 | M | 49.8 | Very low | 53.8 | Low | 198 Ų | 198 | 157.6 Ų | 157.6 | 98% | 0.975 | 80% | 0.799 | S | S | * | * | trans | -67.1 | 86.5 | -174.5 | -169.4 | 174.1 | 164 | 0 | 0 | 109.1 | ||||
| 33 | T | 57.4 | Low | 53.4 | Low | 104 Ų | 104 | 154.3 Ų | 154.3 | 64% | 0.638 | 80% | 0.795 | S | S | * | * | trans | -119.7 | 97.4 | 169.6 | 50.9 | 0 | 0 | 0 | 0 | 107.5 | K31 N35 | K31-T33 VanDerWaalsContact C-N 3.32Å; K31-T33 PolarHBondContact O-N 3.06Å; T33-N35 PolarHBondContact O-N 2.9Å | ||
| 34 | R | 54.2 | Low | 52.3 | Low | 200 Ų | 200 | 151 Ų | 151 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | trans | -20.4 | 99.3 | 171.9 | -170.4 | 173.8 | 177.6 | 170.4 | 0.6 | 113.3 | W36 | R34-W36 PolarHBondContact O-N 3.2Š| ||
| 35 | N | 53.7 | Low | 51.6 | Low | 148 Ų | 148 | 146.2 Ų | 146.2 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | trans | -62.1 | 112.9 | 172.2 | -68.9 | -23.3 | 0 | 0 | 0 | 108.8 | T33 E37 | T33-N35 PolarHBondContact O-N 2.9Å; N35-E37 VanDerWaalsContact C-N 3.33Å | ||
| 36 | W | 55.6 | Low | 51.5 | Low | 198 Ų | 198 | 139.9 Ų | 139.9 | 75% | 0.75 | 75% | 0.751 | S | S | * | * | trans | -90.1 | -0.6 | 169.4 | -81.8 | 92.8 | 0 | 0 | 0 | 112.6 | R34 | R34-W36 PolarHBondContact O-N 3.2Š| ||
| 37 | E | 52.6 | Low | 51.2 | Low | 164 Ų | 164 | 142.4 Ų | 142.4 | 77% | 0.766 | 76% | 0.756 | S | S | * | * | trans | -128.3 | 95.4 | 173.8 | -74.8 | 116.1 | 151.8 | 0 | 0 | 110.1 | N35 | N35-E37 VanDerWaalsContact C-N 3.33Š| ||
| 38 | D | 44.3 | Very low | 50.8 | Low | 115 Ų | 115 | 142 Ų | 142 | 62% | 0.615 | 75% | 0.749 | S | S | * | * | -175.3 | 96.7 | 123.4 | -132.7 | -25.1 | 0 | 0 | 0 | 109.4 | A40 | D38-A40 PolarHBondContact O-N 3.06Š| |||
| 39 | P | 54.4 | Low | 50.4 | Low | 139 Ų | 139 | 136.3 Ų | 136.3 | 90% | 0.903 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | 5.4 | 178.5 | 30 | -33.2 | 0 | 0 | 0 | 113.3 | ||
| 40 | A | 52.1 | Low | 50.2 | Low | 83 Ų | 83 | 135.1 Ų | 135.1 | 69% | 0.686 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.4 | 1.6 | -167.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | D38 | D38-A40 PolarHBondContact O-N 3.06Š|
| 41 | V | 47.1 | Very low | 50.3 | Low | 98 Ų | 98 | 133.2 Ų | 133.2 | 59% | 0.594 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -130.5 | 124.8 | -168.6 | -170.4 | 0 | 0 | 0 | 0 | 110.1 | ||
| 42 | E | 48.9 | Very low | 49.9 | Very low | 187 Ų | 187 | 132.3 Ų | 132.3 | 87% | 0.874 | 73% | 0.732 | S | S | * | * | S | Bend | trans | 94.1 | 2.8 | 169 | -71.2 | 178.2 | -173.7 | 0 | 0 | 122.1 | ||
| 43 | V | 46.1 | Very low | 49.9 | Very low | 130 Ų | 130 | 125.8 Ų | 125.8 | 79% | 0.788 | 72% | 0.716 | S | S | * | * | trans | -141.2 | 79.5 | 158.8 | -146.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 44 | G | 39.7 | Very low | 49.5 | Very low | 49 Ų | 49 | 125.5 Ų | 125.5 | 51% | 0.505 | 71% | 0.714 | S | S | . | * | 57 | 74.2 | 88.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | T46 | G44-T46 WeakPolarHBondContact O-CB 3.44Å; G44-T46 PolarHBondContact O-N 2.68Å; G44-T46 PolarHBondContact O-OG1 2.65Å | |||
| 45 | S | 49.8 | Very low | 49.3 | Very low | 111 Ų | 111 | 121.8 Ų | 121.8 | 78% | 0.776 | 70% | 0.704 | S | S | * | * | S | Bend | trans | 53.4 | 13.5 | 133 | 70.5 | 0 | 0 | 0 | 0 | 119.3 | ||
| 46 | T | 49.3 | Very low | 49.1 | Very low | 66 Ų | 66 | 124.8 Ų | 124.8 | 41% | 0.405 | 71% | 0.711 | S | S | . | * | trans | -133.5 | 16.4 | -166.2 | 51.5 | 0 | 0 | 0 | 0 | 115.9 | G44 R48 | G44-T46 WeakPolarHBondContact O-CB 3.44Å; G44-T46 PolarHBondContact O-N 2.68Å; G44-T46 PolarHBondContact O-OG1 2.65Å; T46-R48 VanDerWaalsContact O-CB 3.28Å; T46-R48 WeakPolarHBondContact O-CB 3.28Å | ||
| 47 | V | 47 | Very low | 48.9 | Very low | 154 Ų | 154 | 118 Ų | 118 | 93% | 0.933 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -122.7 | 51.5 | 148 | -166.9 | 0 | 0 | 0 | 0 | 108.2 | ||
| 48 | R | 48 | Very low | 48.9 | Very low | 186 Ų | 186 | 115.8 Ų | 115.8 | 70% | 0.702 | 68% | 0.683 | S | S | * | * | 44.6 | 96.6 | 54 | -166.9 | -170.7 | -125 | -174.9 | -6.9 | 110.1 | T46 | T46-R48 VanDerWaalsContact O-CB 3.28Å; T46-R48 WeakPolarHBondContact O-CB 3.28Å | |||
| 49 | A | 49.5 | Very low | 49.2 | Very low | 67 Ų | 67 | 121.3 Ų | 121.3 | 55% | 0.554 | 70% | 0.695 | S | S | * | * | S | Bend | 105.1 | 12.7 | 117.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | |||
| 50 | S | 48 | Very low | 49.1 | Very low | 125 Ų | 125 | 118.6 Ų | 118.6 | 87% | 0.874 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -102.3 | -23.9 | 163.1 | -64.5 | 0 | 0 | 0 | 0 | 114.7 | ||
| 51 | A | 52.5 | Low | 49.2 | Very low | 92 Ų | 92 | 116.2 Ų | 116.2 | 76% | 0.76 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -104 | -13 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 52 | F | 48.9 | Very low | 49.6 | Very low | 164 Ų | 164 | 116.8 Ų | 116.8 | 72% | 0.719 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -118.1 | 12.2 | -175.1 | -104.6 | -90.2 | 0 | 0 | 0 | 114.3 | V54 | F52-V54 VanDerWaalsContact C-N 3.34Š|
| 53 | G | 48.5 | Very low | 50.2 | Low | 62 Ų | 62 | 115.5 Ų | 115.5 | 64% | 0.639 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -84 | -3.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q55 | G53-Q55 PolarHBondContact O-N 3.04Š|
| 54 | V | 48.4 | Very low | 51.2 | Low | 98 Ų | 98 | 112.8 Ų | 112.8 | 59% | 0.594 | 63% | 0.625 | S | S | * | * | trans | -102.6 | 53.8 | -174.9 | -164.7 | 0 | 0 | 0 | 0 | 110.6 | F52 V61 | F52-V54 VanDerWaalsContact C-N 3.34Å; V54-V61 HydrophobicContact CG1-CG2 4.31Å | ||
| 55 | Q | 50.2 | Low | 52.7 | Low | 121 Ų | 121 | 116.1 Ų | 116.1 | 57% | 0.565 | 63% | 0.626 | S | S | * | * | trans | -130.4 | 10 | 176.1 | -89.9 | -170.4 | -17.9 | 0 | 0 | 114.5 | G53 | G53-Q55 PolarHBondContact O-N 3.04Š| ||
| 56 | K | 50.9 | Low | 54.1 | Low | 212 Ų | 212 | 120.3 Ų | 120.3 | 92% | 0.922 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -110.5 | 13.6 | 179.7 | -74.2 | -172 | 176.3 | -177.5 | 0 | 116.3 | ||
| 57 | S | 50.1 | Low | 55.6 | Low | 56 Ų | 56 | 121.5 Ų | 121.5 | 39% | 0.392 | 63% | 0.632 | S | S | . | * | trans | -151.4 | 47.4 | 168.1 | 64.1 | 0 | 0 | 0 | 0 | 113.2 | R59 T60 V61 | S57-R59 PolarHBondContact O-N 3.46Å; S57-T60 PolarHBondContact O-N 3.26Å; S57-V61 WeakPolarHBondContact O-CB 3.24Å; S57-V61 VanDerWaalsContact O-CG2 3.24Å; S57-V61 WeakPolarHBondContact O-CG2 3.42Å; S57-V61 PolarHBondContact O-N 3.42Å; S57-V61 WeakPolarHBondContact OG-CG2 3.24Å | ||
| 58 | E | 52.4 | Low | 57.2 | Low | 117 Ų | 117 | 122.5 Ų | 122.5 | 55% | 0.547 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -56.6 | -28.9 | -174.3 | -67.4 | -174.7 | 152.2 | 0 | 0 | 114.2 | L62 | E58-L62 VanDerWaalsContact O-CD1 3.24Å; E58-L62 WeakPolarHBondContact O-CD1 3.3Å; E58-L62 PolarHBondContact O-N 3.26Å |
| 59 | R | 51.5 | Low | 59 | Low | 231 Ų | 231 | 118.7 Ų | 118.7 | 87% | 0.872 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -77 | -27 | 174.3 | -69.9 | -171.2 | 175.1 | -159.9 | -1.2 | 114.4 | S57 | S57-R59 PolarHBondContact O-N 3.46Å |
| 60 | T | 52.7 | Low | 60.9 | Low | 82 Ų | 82 | 120.4 Ų | 120.4 | 50% | 0.503 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -86.1 | -32.8 | 175.2 | -33.4 | 0 | 0 | 0 | 0 | 110.8 | S57 L62 K63 N64 | S57-T60 PolarHBondContact O-N 3.26Å; T60-L62 VanDerWaalsContact C-N 3.35Å; T60-L62 PolarHBondContact O-N 3.32Å; T60-K63 PolarHBondContact O-N 2.97Å; T60-N64 VanDerWaalsContact O-CG 3.24Å; T60-N64 PolarHBondContact O-N 2.79Å; T60-N64 PolarHBondContact O-OD1 3.35Å |
| 61 | V | 53.2 | Low | 62.7 | Low | 32 Ų | 32 | 117.1 Ų | 117.1 | 19% | 0.194 | 59% | 0.59 | C | S | . | * | H | α-helix | trans | -66.4 | -34 | 177 | 174.7 | 0 | 0 | 0 | 0 | 111.4 | V54 S57 N64 K65 | V54-V61 HydrophobicContact CG1-CG2 4.31Å; S57-V61 WeakPolarHBondContact O-CB 3.24Å; S57-V61 VanDerWaalsContact O-CG2 3.24Å; S57-V61 WeakPolarHBondContact O-CG2 3.42Å; S57-V61 PolarHBondContact O-N 3.42Å; S57-V61 WeakPolarHBondContact OG-CG2 3.24Å; V61-N64 CarbonylContact O-C 3.55Å; V61-N64 PolarHBondContact O-N 2.83Å; V61-K65 HydrophobicContact CG1-CD 4.38Å; V61-K65 HydrophobicContact CG1-CG 4.34Å; V61-K65 WeakPolarHBondContact O-CB 3.49Å; V61-K65 VanDerWaalsContact O-CG 3.3Å; V61-K65 WeakPolarHBondContact O-CG 3.21Å; V61-K65 PolarHBondContact O-N 3.06Å |
| 62 | L | 55.5 | Low | 64.5 | Low | 111 Ų | 111 | 117.3 Ų | 117.3 | 58% | 0.581 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -67.1 | -39.4 | 175.9 | -101.6 | 83.4 | 0 | 0 | 0 | 113.5 | E58 T60 N64 K65 R66 | E58-L62 VanDerWaalsContact O-CD1 3.24Å; E58-L62 WeakPolarHBondContact O-CD1 3.3Å; E58-L62 PolarHBondContact O-N 3.26Å; T60-L62 VanDerWaalsContact C-N 3.35Å; T60-L62 PolarHBondContact O-N 3.32Å; L62-N64 VanDerWaalsContact C-N 3.33Å; L62-K65 PolarHBondContact O-N 3.47Å; L62-R66 PolarHBondContact O-N 3.39Å |
| 63 | K | 61.8 | Low | 66.5 | Low | 160 Ų | 160 | 113.7 Ų | 113.7 | 70% | 0.696 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -64.3 | -42.8 | 172.4 | -70.3 | -174.7 | 179 | -177.1 | 0 | 110.4 | T60 K65 R66 T67 | T60-K63 PolarHBondContact O-N 2.97Å; K63-K65 VanDerWaalsContact C-N 3.29Å; K63-K65 PolarHBondContact O-N 2.82Å; K63-R66 PolarHBondContact O-N 2.91Å; K63-T67 PolarHBondContact O-N 3.35Å; K63-T67 PolarHBondContact O-OG1 3.32Å |
| 64 | N | 66.5 | Low | 68.7 | Low | 73 Ų | 73 | 115.5 Ų | 115.5 | 39% | 0.39 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65.3 | -30.4 | 176.8 | -67.7 | 2.8 | 0 | 0 | 0 | 112.7 | T60 V61 L62 R68 | T60-N64 VanDerWaalsContact O-CG 3.24Å; T60-N64 PolarHBondContact O-N 2.79Å; T60-N64 PolarHBondContact O-OD1 3.35Å; V61-N64 CarbonylContact O-C 3.55Å; V61-N64 PolarHBondContact O-N 2.83Å; L62-N64 VanDerWaalsContact C-N 3.33Å; N64-R68 WeakPolarHBondContact O-CB 3.3Å; N64-R68 WeakPolarHBondContact O-CD 3.46Å; N64-R68 WeakPolarHBondContact O-CG 3.37Å; N64-R68 PolarHBondContact O-N 3.32Å |
| 65 | K | 72.1 | Confident | 70.7 | Confident | 119 Ų | 119 | 116 Ų | 116 | 52% | 0.517 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.9 | -47.2 | 176.3 | -81.9 | 174 | 178.9 | -177.7 | 0 | 111.4 | V61 L62 K63 R68 I69 | V61-K65 HydrophobicContact CG1-CD 4.38Å; V61-K65 HydrophobicContact CG1-CG 4.34Å; V61-K65 WeakPolarHBondContact O-CB 3.49Å; V61-K65 VanDerWaalsContact O-CG 3.3Å; V61-K65 WeakPolarHBondContact O-CG 3.21Å; V61-K65 PolarHBondContact O-N 3.06Å; L62-K65 PolarHBondContact O-N 3.47Å; K63-K65 VanDerWaalsContact C-N 3.29Å; K63-K65 PolarHBondContact O-N 2.82Å; K65-R68 PolarHBondContact O-N 3.31Å; K65-I69 VanDerWaalsContact O-CG1 3.3Å; K65-I69 WeakPolarHBondContact O-CG1 3.23Å; K65-I69 PolarHBondContact O-N 3.23Å |
| 66 | R | 78.4 | Confident | 72.7 | Confident | 198 Ų | 198 | 115 Ų | 115 | 75% | 0.747 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -62.3 | -46.5 | 176.8 | -70 | -173.8 | -179.6 | -177.8 | -0.1 | 111.3 | L62 K63 R68 I69 I70 | L62-R66 PolarHBondContact O-N 3.39Å; K63-R66 PolarHBondContact O-N 2.91Å; R66-R68 VanDerWaalsContact C-N 3.33Å; R66-R68 PolarHBondContact O-N 3.17Å; R66-I69 PolarHBondContact O-N 2.95Å; R66-I70 VanDerWaalsContact O-CG1 3.32Å; R66-I70 WeakPolarHBondContact O-CG1 3.46Å; R66-I70 PolarHBondContact O-N 3.28Å |
| 67 | T | 81.5 | Confident | 74.7 | Confident | 92 Ų | 92 | 111.2 Ų | 111.2 | 56% | 0.564 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62.7 | -38.3 | 177.1 | -49 | 0 | 0 | 0 | 0 | 112.4 | K63 I70 A71 | K63-T67 PolarHBondContact O-N 3.35Å; K63-T67 PolarHBondContact O-OG1 3.32Å; T67-I70 PolarHBondContact O-N 2.9Å; T67-A71 WeakPolarHBondContact O-CB 3.32Å; T67-A71 PolarHBondContact O-N 3.49Å |
| 68 | R | 81.7 | Confident | 76.8 | Confident | 174 Ų | 174 | 112 Ų | 112 | 66% | 0.657 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64.1 | -43.6 | 175.2 | -78.5 | 171.4 | -176 | -148.6 | 1.1 | 111.9 | N64 K65 R66 A71 I72 | N64-R68 WeakPolarHBondContact O-CB 3.3Å; N64-R68 WeakPolarHBondContact O-CD 3.46Å; N64-R68 WeakPolarHBondContact O-CG 3.37Å; N64-R68 PolarHBondContact O-N 3.32Å; K65-R68 PolarHBondContact O-N 3.31Å; R66-R68 VanDerWaalsContact C-N 3.33Å; R66-R68 PolarHBondContact O-N 3.17Å; R68-A71 PolarHBondContact O-N 2.94Å; R68-I72 WeakPolarHBondContact O-CD1 3.34Å; R68-I72 VanDerWaalsContact O-CG1 3.23Å; R68-I72 WeakPolarHBondContact O-CG1 3.09Å; R68-I72 PolarHBondContact O-N 2.93Å |
| 69 | I | 85.7 | Confident | 78.7 | Confident | 106 Ų | 106 | 110.6 Ų | 110.6 | 54% | 0.544 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.8 | -47 | 176.5 | -66.8 | 164.1 | 0 | 0 | 0 | 110 | K65 R66 A71 I72 V73 | K65-I69 VanDerWaalsContact O-CG1 3.3Å; K65-I69 WeakPolarHBondContact O-CG1 3.23Å; K65-I69 PolarHBondContact O-N 3.23Å; R66-I69 PolarHBondContact O-N 2.95Å; I69-A71 VanDerWaalsContact C-N 3.32Å; I69-A71 PolarHBondContact O-N 3.25Å; I69-I72 PolarHBondContact O-N 3.43Å; I69-V73 HydrophobicContact CG2-CG2 4.4Å; I69-V73 WeakPolarHBondContact O-CG2 3.28Å; I69-V73 PolarHBondContact O-N 3.4Å |
| 70 | I | 88.1 | Confident | 80.6 | Confident | 103 Ų | 103 | 103.5 Ų | 103.5 | 53% | 0.528 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59.3 | -44.3 | 177.3 | -66.2 | 164.7 | 0 | 0 | 0 | 110.8 | R66 T67 I72 V73 I74 | R66-I70 VanDerWaalsContact O-CG1 3.32Å; R66-I70 WeakPolarHBondContact O-CG1 3.46Å; R66-I70 PolarHBondContact O-N 3.28Å; T67-I70 PolarHBondContact O-N 2.9Å; I70-I72 VanDerWaalsContact C-N 3.34Å; I70-I72 PolarHBondContact O-N 3.49Å; I70-V73 PolarHBondContact O-N 3.33Å; I70-I74 HydrophobicContact CG2-CD1 3.71Å; I70-I74 HydrophobicContact CG2-CG1 4.34Å; I70-I74 VanDerWaalsContact O-CG1 3.28Å; I70-I74 WeakPolarHBondContact O-CG1 3.48Å; I70-I74 PolarHBondContact O-N 2.98Å |
| 71 | A | 87.1 | Confident | 82.5 | Confident | 56 Ų | 56 | 103.9 Ų | 103.9 | 46% | 0.463 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.8 | -40.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | T67 R68 I69 I74 L75 | T67-A71 WeakPolarHBondContact O-CB 3.32Å; T67-A71 PolarHBondContact O-N 3.49Å; R68-A71 PolarHBondContact O-N 2.94Å; I69-A71 VanDerWaalsContact C-N 3.32Å; I69-A71 PolarHBondContact O-N 3.25Å; A71-I74 PolarHBondContact O-N 3.42Å; A71-L75 WeakPolarHBondContact O-CB 3.36Å; A71-L75 PolarHBondContact O-N 3.25Å |
| 72 | I | 89.8 | Confident | 84.3 | Confident | 97 Ų | 97 | 105.9 Ų | 105.9 | 50% | 0.497 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.7 | -44.1 | 175.6 | -67.3 | 162.2 | 0 | 0 | 0 | 110.6 | R68 I69 I70 L75 L76 | R68-I72 WeakPolarHBondContact O-CD1 3.34Å; R68-I72 VanDerWaalsContact O-CG1 3.23Å; R68-I72 WeakPolarHBondContact O-CG1 3.09Å; R68-I72 PolarHBondContact O-N 2.93Å; I69-I72 PolarHBondContact O-N 3.43Å; I70-I72 VanDerWaalsContact C-N 3.34Å; I70-I72 PolarHBondContact O-N 3.49Å; I72-L75 PolarHBondContact O-N 3.19Å; I72-L76 HydrophobicContact CG2-CD1 4.23Å; I72-L76 WeakPolarHBondContact O-CG 3.38Å; I72-L76 PolarHBondContact O-N 2.95Å |
| 73 | V | 91.6 | Very high | 86 | Confident | 88 Ų | 88 | 104.3 Ų | 104.3 | 53% | 0.533 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.2 | -43.9 | 178.3 | 173.5 | 0 | 0 | 0 | 0 | 111.1 | I69 I70 L75 L76 F77 | I69-V73 HydrophobicContact CG2-CG2 4.4Å; I69-V73 WeakPolarHBondContact O-CG2 3.28Å; I69-V73 PolarHBondContact O-N 3.4Å; I70-V73 PolarHBondContact O-N 3.33Å; V73-L75 VanDerWaalsContact C-N 3.34Å; V73-L75 PolarHBondContact O-N 2.89Å; V73-L76 PolarHBondContact O-N 3.47Å; V73-F77 WeakPolarHBondContact O-CB 3.5Å; V73-F77 PolarHBondContact O-N 3.42Å |
| 74 | I | 92.7 | Very high | 87.3 | Confident | 100 Ų | 100 | 101.1 Ų | 101.1 | 51% | 0.513 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.6 | -44.3 | 175.7 | -67.7 | 167.4 | 0 | 0 | 0 | 110.4 | I70 A71 L76 F77 V78 | I70-I74 HydrophobicContact CG2-CD1 3.71Å; I70-I74 HydrophobicContact CG2-CG1 4.34Å; I70-I74 VanDerWaalsContact O-CG1 3.28Å; I70-I74 WeakPolarHBondContact O-CG1 3.48Å; I70-I74 PolarHBondContact O-N 2.98Å; A71-I74 PolarHBondContact O-N 3.42Å; I74-L76 VanDerWaalsContact C-N 3.34Å; I74-L76 PolarHBondContact O-N 3.29Å; I74-F77 WeakPolarHBondContact O-CB 3.33Å; I74-F77 PolarHBondContact O-N 2.94Å; I74-V78 HydrophobicContact CG2-CG2 4.42Å; I74-V78 WeakPolarHBondContact O-CG2 3.37Å; I74-V78 PolarHBondContact O-N 3.24Å |
| 75 | L | 91.8 | Very high | 88.3 | Confident | 107 Ų | 107 | 100.2 Ų | 100.2 | 56% | 0.56 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59.6 | -44.9 | 177.7 | -178 | 66.7 | 0 | 0 | 0 | 111.6 | A71 I72 V73 F77 V78 I79 | A71-L75 WeakPolarHBondContact O-CB 3.36Å; A71-L75 PolarHBondContact O-N 3.25Å; I72-L75 PolarHBondContact O-N 3.19Å; V73-L75 VanDerWaalsContact C-N 3.34Å; V73-L75 PolarHBondContact O-N 2.89Å; L75-F77 VanDerWaalsContact C-N 3.34Å; L75-F77 PolarHBondContact O-N 3.47Å; L75-V78 PolarHBondContact O-N 2.95Å; L75-I79 HydrophobicContact CG-CD1 4.27Å; L75-I79 WeakPolarHBondContact O-CG1 3.35Å; L75-I79 PolarHBondContact O-N 3.27Å |
| 76 | L | 92.2 | Very high | 89 | Confident | 102 Ų | 102 | 99.4 Ų | 99.4 | 53% | 0.534 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.2 | -41.7 | 175.6 | -70.5 | 173.6 | 0 | 0 | 0 | 111.8 | I72 V73 I74 V78 I79 V80 | I72-L76 HydrophobicContact CG2-CD1 4.23Å; I72-L76 WeakPolarHBondContact O-CG 3.38Å; I72-L76 PolarHBondContact O-N 2.95Å; V73-L76 PolarHBondContact O-N 3.47Å; I74-L76 VanDerWaalsContact C-N 3.34Å; I74-L76 PolarHBondContact O-N 3.29Å; L76-V78 PolarHBondContact O-N 2.99Å; L76-I79 PolarHBondContact O-N 3.03Å; L76-V80 WeakPolarHBondContact O-CG2 3.48Å; L76-V80 PolarHBondContact O-N 3.44Å |
| 77 | F | 93.1 | Very high | 89.3 | Confident | 131 Ų | 131 | 94.9 Ų | 94.9 | 58% | 0.575 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.1 | -42.4 | 176.7 | -173 | -103.1 | 0 | 0 | 0 | 112.2 | V73 I74 L75 I79 V80 L81 | V73-F77 WeakPolarHBondContact O-CB 3.5Å; V73-F77 PolarHBondContact O-N 3.42Å; I74-F77 WeakPolarHBondContact O-CB 3.33Å; I74-F77 PolarHBondContact O-N 2.94Å; L75-F77 VanDerWaalsContact C-N 3.34Å; L75-F77 PolarHBondContact O-N 3.47Å; F77-I79 PolarHBondContact O-N 3.49Å; F77-V80 PolarHBondContact O-N 3.33Å; F77-L81 HydrophobicContact CD1-CD1 3.86Å; F77-L81 HydrophobicContact CD1-CG 4.3Å; F77-L81 HydrophobicContact CE1-CD1 3.4Å; F77-L81 VanDerWaalsContact CE1-CD1 3.4Å; F77-L81 HydrophobicContact CE1-CG 4Å; F77-L81 HydrophobicContact CZ-CD1 4.03Å; F77-L81 HydrophobicContact CZ-CD2 4.37Å; F77-L81 HydrophobicContact CZ-CG 4.25Å; F77-L81 WeakPolarHBondContact O-CG 3.49Å; F77-L81 PolarHBondContact O-N 3.35Å |
| 78 | V | 93.3 | Very high | 89.2 | Confident | 72 Ų | 72 | 93 Ų | 93 | 44% | 0.436 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.3 | -43.4 | 175 | 172.8 | 0 | 0 | 0 | 0 | 111.1 | I74 L75 L76 V80 L81 C82 | I74-V78 HydrophobicContact CG2-CG2 4.42Å; I74-V78 WeakPolarHBondContact O-CG2 3.37Å; I74-V78 PolarHBondContact O-N 3.24Å; L75-V78 PolarHBondContact O-N 2.95Å; L76-V78 PolarHBondContact O-N 2.99Å; V78-V80 PolarHBondContact O-N 2.97Å; V78-L81 PolarHBondContact O-N 3.48Å; V78-C82 PolarHBondContact O-N 2.93Å; V78-C82 PolarHBondContact O-SG 2.85Å |
| 79 | I | 92.7 | Very high | 88.9 | Confident | 89 Ų | 89 | 89.2 Ų | 89.2 | 46% | 0.456 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.7 | -45.3 | 176.8 | -67.5 | 165.1 | 0 | 0 | 0 | 110.8 | L75 L76 F77 L81 C82 V83 | L75-I79 HydrophobicContact CG-CD1 4.27Å; L75-I79 WeakPolarHBondContact O-CG1 3.35Å; L75-I79 PolarHBondContact O-N 3.27Å; L76-I79 PolarHBondContact O-N 3.03Å; F77-I79 PolarHBondContact O-N 3.49Å; I79-L81 PolarHBondContact O-N 3.49Å; I79-C82 WeakPolarHBondContact O-CB 3.33Å; I79-C82 PolarHBondContact O-N 3.34Å; I79-V83 WeakPolarHBondContact O-CG2 3.34Å; I79-V83 PolarHBondContact O-N 3.49Å |
| 80 | V | 92.1 | Very high | 88.2 | Confident | 81 Ų | 81 | 88 Ų | 88 | 49% | 0.491 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.2 | -44.9 | 177.8 | 172.5 | 0 | 0 | 0 | 0 | 111.2 | L76 F77 V78 C82 V83 I84 | L76-V80 WeakPolarHBondContact O-CG2 3.48Å; L76-V80 PolarHBondContact O-N 3.44Å; F77-V80 PolarHBondContact O-N 3.33Å; V78-V80 PolarHBondContact O-N 2.97Å; V80-C82 VanDerWaalsContact C-N 3.35Å; V80-C82 PolarHBondContact O-N 2.92Å; V80-V83 PolarHBondContact O-N 3.19Å; V80-I84 HydrophobicContact CG1-CD1 3.88Å; V80-I84 WeakPolarHBondContact O-CG1 3.48Å; V80-I84 PolarHBondContact O-N 2.94Å |
| 81 | L | 92 | Very high | 87 | Confident | 90 Ų | 90 | 87.8 Ų | 87.8 | 47% | 0.471 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.5 | -39.6 | 175.8 | -72.1 | -178.2 | 0 | 0 | 0 | 112.5 | F77 V78 I79 I84 A85 | F77-L81 HydrophobicContact CD1-CD1 3.86Å; F77-L81 HydrophobicContact CD1-CG 4.3Å; F77-L81 HydrophobicContact CE1-CD1 3.4Å; F77-L81 VanDerWaalsContact CE1-CD1 3.4Å; F77-L81 HydrophobicContact CE1-CG 4Å; F77-L81 HydrophobicContact CZ-CD1 4.03Å; F77-L81 HydrophobicContact CZ-CD2 4.37Å; F77-L81 HydrophobicContact CZ-CG 4.25Å; F77-L81 WeakPolarHBondContact O-CG 3.49Å; F77-L81 PolarHBondContact O-N 3.35Å; V78-L81 PolarHBondContact O-N 3.48Å; I79-L81 PolarHBondContact O-N 3.49Å; L81-I84 PolarHBondContact O-N 2.79Å; L81-A85 WeakPolarHBondContact O-CB 3.23Å; L81-A85 PolarHBondContact O-N 3.33Å |
| 82 | C | 91.5 | Very high | 85.4 | Confident | 75 Ų | 75 | 87.4 Ų | 87.4 | 51% | 0.507 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62 | -43.3 | 174.2 | -77.6 | 0 | 0 | 0 | 0 | 111.8 | V78 I79 V80 A85 V86 | V78-C82 PolarHBondContact O-N 2.93Å; V78-C82 PolarHBondContact O-SG 2.85Å; I79-C82 WeakPolarHBondContact O-CB 3.33Å; I79-C82 PolarHBondContact O-N 3.34Å; V80-C82 VanDerWaalsContact C-N 3.35Å; V80-C82 PolarHBondContact O-N 2.92Å; C82-A85 PolarHBondContact O-N 2.91Å; C82-V86 VanDerWaalsContact O-CG2 3.3Å; C82-V86 WeakPolarHBondContact O-CG2 3.29Å; C82-V86 PolarHBondContact O-N 3.47Å |
| 83 | V | 90.8 | Very high | 83.6 | Confident | 77 Ų | 77 | 85.1 Ų | 85.1 | 47% | 0.467 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.9 | -45 | 177 | 173 | 0 | 0 | 0 | 0 | 110.7 | I79 V80 A85 V86 I87 | I79-V83 WeakPolarHBondContact O-CG2 3.34Å; I79-V83 PolarHBondContact O-N 3.49Å; V80-V83 PolarHBondContact O-N 3.19Å; V83-A85 VanDerWaalsContact C-N 3.34Å; V83-A85 PolarHBondContact O-N 2.9Å; V83-V86 PolarHBondContact O-N 3.3Å; V83-I87 HydrophobicContact CG1-CD1 3.78Å; V83-I87 HydrophobicContact CG1-CG1 4.46Å; V83-I87 VanDerWaalsContact O-CG1 3.27Å; V83-I87 WeakPolarHBondContact O-CG1 3.3Å; V83-I87 PolarHBondContact O-N 3.46Å |
| 84 | I | 89 | Confident | 81.6 | Confident | 94 Ų | 94 | 86.7 Ų | 86.7 | 48% | 0.482 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.7 | -42.8 | 175.9 | -65.5 | 166.3 | 0 | 0 | 0 | 110.7 | V80 L81 I87 A88 | V80-I84 HydrophobicContact CG1-CD1 3.88Å; V80-I84 WeakPolarHBondContact O-CG1 3.48Å; V80-I84 PolarHBondContact O-N 2.94Å; L81-I84 PolarHBondContact O-N 2.79Å; I84-I87 PolarHBondContact O-N 3.32Å; I84-A88 VanDerWaalsContact O-CB 3.23Å; I84-A88 WeakPolarHBondContact O-CB 3.27Å; I84-A88 PolarHBondContact O-N 3.39Å |
| 85 | A | 87 | Confident | 79.6 | Confident | 53 Ų | 53 | 91.6 Ų | 91.6 | 44% | 0.438 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.5 | -43.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L81 C82 V83 A88 S89 | L81-A85 WeakPolarHBondContact O-CB 3.23Å; L81-A85 PolarHBondContact O-N 3.33Å; C82-A85 PolarHBondContact O-N 2.91Å; V83-A85 VanDerWaalsContact C-N 3.34Å; V83-A85 PolarHBondContact O-N 2.9Å; A85-A88 PolarHBondContact O-N 3.38Å; A85-S89 WeakPolarHBondContact O-CB 3.43Å; A85-S89 PolarHBondContact O-N 2.93Å; A85-S89 PolarHBondContact O-OG 3.18Å |
| 86 | V | 87.5 | Confident | 77.4 | Confident | 102 Ų | 102 | 98 Ų | 98 | 62% | 0.618 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -63.5 | -44.1 | 176.2 | 172.2 | 0 | 0 | 0 | 0 | 111.1 | C82 V83 S89 A90 | C82-V86 VanDerWaalsContact O-CG2 3.3Å; C82-V86 WeakPolarHBondContact O-CG2 3.29Å; C82-V86 PolarHBondContact O-N 3.47Å; V83-V86 PolarHBondContact O-N 3.3Å; V86-S89 PolarHBondContact O-N 2.78Å; V86-A90 VanDerWaalsContact O-CB 3.29Å; V86-A90 WeakPolarHBondContact O-CB 3.22Å; V86-A90 PolarHBondContact O-N 2.88Å |
| 87 | I | 83.9 | Confident | 75.3 | Confident | 104 Ų | 104 | 97.5 Ų | 97.5 | 53% | 0.533 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -62.8 | -46.5 | 176 | -66.2 | 166.4 | 0 | 0 | 0 | 110.1 | V83 I84 S89 A90 S91 | V83-I87 HydrophobicContact CG1-CD1 3.78Å; V83-I87 HydrophobicContact CG1-CG1 4.46Å; V83-I87 VanDerWaalsContact O-CG1 3.27Å; V83-I87 WeakPolarHBondContact O-CG1 3.3Å; V83-I87 PolarHBondContact O-N 3.46Å; I84-I87 PolarHBondContact O-N 3.32Å; I87-S89 VanDerWaalsContact C-N 3.35Å; I87-S89 PolarHBondContact O-N 2.78Å; I87-A90 PolarHBondContact O-N 3.44Å; I87-S91 WeakPolarHBondContact O-CB 3.36Å; I87-S91 PolarHBondContact O-N 3Å; I87-S91 PolarHBondContact O-OG 3.41Å |
| 88 | A | 79.2 | Confident | 72.9 | Confident | 53 Ų | 53 | 99.9 Ų | 99.9 | 44% | 0.438 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -62.9 | -39.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I84 A85 S91 G92 | I84-A88 VanDerWaalsContact O-CB 3.23Å; I84-A88 WeakPolarHBondContact O-CB 3.27Å; I84-A88 PolarHBondContact O-N 3.39Å; A85-A88 PolarHBondContact O-N 3.38Å; A88-S91 WeakPolarHBondContact CA-OG 3.33Å; A88-S91 PolarHBondContact O-OG 2.81Å; A88-G92 VanDerWaalsContact O-CA 3.22Å; A88-G92 WeakPolarHBondContact O-CA 3.49Å; A88-G92 PolarHBondContact O-N 3.35Å |
| 89 | S | 75.9 | Confident | 70.8 | Confident | 93 Ų | 93 | 102.2 Ų | 102.2 | 65% | 0.65 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -68.2 | -36.8 | 173.7 | -63.4 | 0 | 0 | 0 | 0 | 112.3 | A85 V86 I87 | A85-S89 WeakPolarHBondContact O-CB 3.43Å; A85-S89 PolarHBondContact O-N 2.93Å; A85-S89 PolarHBondContact O-OG 3.18Å; V86-S89 PolarHBondContact O-N 2.78Å; I87-S89 VanDerWaalsContact C-N 3.35Å; I87-S89 PolarHBondContact O-N 2.78Å |
| 90 | A | 70.4 | Confident | 68.5 | Low | 82 Ų | 82 | 103.1 Ų | 103.1 | 68% | 0.678 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -73.4 | -37.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | V86 I87 G92 | V86-A90 VanDerWaalsContact O-CB 3.29Å; V86-A90 WeakPolarHBondContact O-CB 3.22Å; V86-A90 PolarHBondContact O-N 2.88Å; I87-A90 PolarHBondContact O-N 3.44Å; A90-G92 VanDerWaalsContact C-N 3.34Å |
| 91 | S | 62.4 | Low | 66.2 | Low | 97 Ų | 97 | 106.7 Ų | 106.7 | 68% | 0.678 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -82.5 | -13.5 | 173.9 | 62.8 | 0 | 0 | 0 | 0 | 113.4 | I87 A88 | I87-S91 WeakPolarHBondContact O-CB 3.36Å; I87-S91 PolarHBondContact O-N 3Å; I87-S91 PolarHBondContact O-OG 3.41Å; A88-S91 WeakPolarHBondContact CA-OG 3.33Å; A88-S91 PolarHBondContact O-OG 2.81Å |
| 92 | G | 55.2 | Low | 63.8 | Low | 48 Ų | 48 | 106.5 Ų | 106.5 | 50% | 0.495 | 63% | 0.631 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -97.1 | 19.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | A88 A90 | A88-G92 VanDerWaalsContact O-CA 3.22Å; A88-G92 WeakPolarHBondContact O-CA 3.49Å; A88-G92 PolarHBondContact O-N 3.35Å; A90-G92 VanDerWaalsContact C-N 3.34Å |
| 93 | G | 50.5 | Low | 61.6 | Low | 50 Ų | 50 | 111.8 Ų | 111.8 | 52% | 0.515 | 64% | 0.641 | S | S | . | * | trans | -47.6 | 139.2 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | K95 | G93-K95 PolarHBondContact O-N 3Š| ||
| 94 | P | 50.1 | Low | 59.6 | Low | 121 Ų | 121 | 114 Ų | 114 | 79% | 0.786 | 66% | 0.655 | S | S | * | * | trans | -62.5 | 103.6 | -135.5 | 27.7 | -35.3 | 0 | 0 | 0 | 111.6 | R96 | P94-R96 PolarHBondContact O-N 2.87Š| ||
| 95 | K | 50.4 | Low | 57.8 | Low | 202 Ų | 202 | 116.8 Ų | 116.8 | 88% | 0.878 | 67% | 0.668 | S | S | * | * | trans | -68.4 | 91.7 | 150.8 | -78 | -169 | 178.2 | -178.3 | 0 | 106.6 | G93 S97 | G93-K95 PolarHBondContact O-N 3Å; K95-S97 VanDerWaalsContact C-N 3.28Å; K95-S97 PolarHBondContact O-N 2.87Å | ||
| 96 | R | 45.5 | Very low | 56 | Low | 241 Ų | 241 | 120.2 Ų | 120.2 | 91% | 0.909 | 69% | 0.686 | S | S | * | * | trans | -38.3 | 98.1 | 150.1 | -75.3 | -178.6 | 168.8 | -179.8 | -4 | 108.5 | P94 | P94-R96 PolarHBondContact O-N 2.87Š| ||
| 97 | S | 48.9 | Very low | 53.9 | Low | 92 Ų | 92 | 120.4 Ų | 120.4 | 64% | 0.643 | 69% | 0.692 | S | S | * | * | trans | -123.9 | 102.6 | 142.8 | 59.4 | 0 | 0 | 0 | 0 | 104.4 | K95 T99 | K95-S97 VanDerWaalsContact C-N 3.28Å; K95-S97 PolarHBondContact O-N 2.87Å; S97-T99 PolarHBondContact O-N 2.92Å | ||
| 98 | E | 43.4 | Very low | 52.2 | Low | 181 Ų | 181 | 123.8 Ų | 123.8 | 85% | 0.846 | 71% | 0.705 | S | S | * | * | trans | -49 | 86.3 | 151.1 | -63.8 | 169.6 | 150.2 | 0 | 0 | 106.8 | V100 | E98-V100 HydrophobicContact CB-CG2 4.36Å; E98-V100 PolarHBondContact O-N 2.85Å | ||
| 99 | T | 49.4 | Very low | 50.7 | Low | 122 Ų | 122 | 131 Ų | 131 | 75% | 0.748 | 73% | 0.727 | S | S | * | * | trans | -73.1 | 83.1 | 149.8 | 50.5 | 0 | 0 | 0 | 0 | 103.7 | S97 F101 | S97-T99 PolarHBondContact O-N 2.92Å; T99-F101 VanDerWaalsContact C-N 3.27Å; T99-F101 PolarHBondContact O-N 2.75Å | ||
| 100 | V | 42.6 | Very low | 49.7 | Very low | 107 Ų | 107 | 131.5 Ų | 131.5 | 65% | 0.648 | 73% | 0.728 | S | S | * | * | trans | -36.1 | 104 | 153.4 | 177.3 | 0 | 0 | 0 | 0 | 105.3 | E98 S102 | E98-V100 HydrophobicContact CB-CG2 4.36Å; E98-V100 PolarHBondContact O-N 2.85Å; V100-S102 WeakPolarHBondContact CG1-OG 3.42Å; V100-S102 PolarHBondContact O-N 2.8Å | ||
| 101 | F | 44.4 | Very low | 48.9 | Very low | 157 Ų | 157 | 133 Ų | 133 | 69% | 0.689 | 73% | 0.731 | S | S | * | * | trans | -71.6 | 81.3 | 168.8 | -157.6 | -80.3 | 0 | 0 | 0 | 104.2 | T99 Y103 | T99-F101 VanDerWaalsContact C-N 3.27Å; T99-F101 PolarHBondContact O-N 2.75Å; F101-Y103 AromaticContact CD1-CD2 3.38Å; F101-Y103 HydrophobicContact CD1-CD2 3.38Å; F101-Y103 AromaticContact CD1-CE2 3.3Å; F101-Y103 HydrophobicContact CD1-CE2 3.3Å; F101-Y103 HydrophobicContact CD1-CG 4.15Å; F101-Y103 HydrophobicContact CE1-CD1 4.4Å; F101-Y103 AromaticContact CE1-CD2 3.69Å; F101-Y103 HydrophobicContact CE1-CD2 3.69Å; F101-Y103 HydrophobicContact CE1-CE1 4.06Å; F101-Y103 AromaticContact CE1-CE2 3.26Å; F101-Y103 HydrophobicContact CE1-CE2 3.26Å; F101-Y103 HydrophobicContact CE1-CG 4.23Å; F101-Y103 AromaticContact CE1-CZ 3.48Å; F101-Y103 VanDerWaalsContact CE1-CZ 3.48Å; F101-Y103 HydrophobicContact CG-CE2 4.48Å; F101-Y103 HydrophobicContact CZ-CE2 4.42Å; F101-Y103 PolarHBondContact O-N 2.82Å | ||
| 102 | S | 42.3 | Very low | 48 | Very low | 85 Ų | 85 | 137.4 Ų | 137.4 | 59% | 0.594 | 74% | 0.743 | S | S | * | * | trans | -64.3 | 89.9 | 169.6 | -64.4 | 0 | 0 | 0 | 0 | 106 | V100 T104 | V100-S102 WeakPolarHBondContact CG1-OG 3.42Å; V100-S102 PolarHBondContact O-N 2.8Å; S102-T104 PolarHBondContact O-N 2.85Å | ||
| 103 | Y | 45.9 | Very low | 47.7 | Very low | 186 Ų | 186 | 143.5 Ų | 143.5 | 73% | 0.729 | 76% | 0.763 | S | S | * | * | trans | -60.7 | 88.6 | 150.2 | -86.6 | -82.3 | 0 | 0 | 0 | 105.8 | F101 M105 | F101-Y103 AromaticContact CD1-CD2 3.38Å; F101-Y103 HydrophobicContact CD1-CD2 3.38Å; F101-Y103 AromaticContact CD1-CE2 3.3Å; F101-Y103 HydrophobicContact CD1-CE2 3.3Å; F101-Y103 HydrophobicContact CD1-CG 4.15Å; F101-Y103 HydrophobicContact CE1-CD1 4.4Å; F101-Y103 AromaticContact CE1-CD2 3.69Å; F101-Y103 HydrophobicContact CE1-CD2 3.69Å; F101-Y103 HydrophobicContact CE1-CE1 4.06Å; F101-Y103 AromaticContact CE1-CE2 3.26Å; F101-Y103 HydrophobicContact CE1-CE2 3.26Å; F101-Y103 HydrophobicContact CE1-CG 4.23Å; F101-Y103 AromaticContact CE1-CZ 3.48Å; F101-Y103 VanDerWaalsContact CE1-CZ 3.48Å; F101-Y103 HydrophobicContact CG-CE2 4.48Å; F101-Y103 HydrophobicContact CZ-CE2 4.42Å; F101-Y103 PolarHBondContact O-N 2.82Å; Y103-M105 PolarHBondContact O-N 2.83Å | ||
| 104 | T | 48.4 | Very low | 47.4 | Very low | 125 Ų | 125 | 152.8 Ų | 152.8 | 77% | 0.767 | 78% | 0.782 | S | S | * | * | trans | -61.7 | 90.3 | 155.3 | -49.8 | 0 | 0 | 0 | 0 | 104.9 | S102 | S102-T104 PolarHBondContact O-N 2.85Š| ||
| 105 | M | 51.4 | Low | 47.1 | Very low | 151 Ų | 151 | 149.9 Ų | 149.9 | 74% | 0.744 | 78% | 0.775 | S | S | * | * | trans | -54.1 | 134.8 | 163.9 | -70.1 | -151.1 | -176 | 0 | 0 | 106.5 | Y103 S107 | Y103-M105 PolarHBondContact O-N 2.83Å; M105-S107 PolarHBondContact O-N 2.72Å | ||
| 106 | P | 49.1 | Very low | 46.9 | Very low | 125 Ų | 125 | 148.5 Ų | 148.5 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | trans | -64.9 | 85.5 | 160.3 | 28.7 | -29.3 | 0 | 0 | 0 | 105.5 | E108 | P106-E108 PolarHBondContact O-N 2.94Š| ||
| 107 | S | 43 | Very low | 46.9 | Very low | 106 Ų | 106 | 142.5 Ų | 142.5 | 74% | 0.741 | 77% | 0.768 | S | S | * | * | trans | -63.1 | 106.8 | 170.8 | 179.3 | 0 | 0 | 0 | 0 | 105.4 | M105 K109 | M105-S107 PolarHBondContact O-N 2.72Å; S107-K109 PolarHBondContact O-N 2.96Å | ||
| 108 | E | 47.2 | Very low | 47.1 | Very low | 176 Ų | 176 | 146.8 Ų | 146.8 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | trans | -38.3 | 105.3 | 171.4 | -68.1 | 170.5 | 116.6 | 0 | 0 | 109.4 | P106 P110 | P106-E108 PolarHBondContact O-N 2.94Å; E108-P110 WeakPolarHBondContact O-CD 3.03Å | ||
| 109 | K | 47.9 | Very low | 47.5 | Very low | 204 Ų | 204 | 145.3 Ų | 145.3 | 89% | 0.887 | 77% | 0.771 | S | S | * | * | trans | -87.3 | 95.9 | 149.4 | -84.1 | -174.7 | 176.8 | -179.9 | 0 | 106 | S107 | S107-K109 PolarHBondContact O-N 2.96Š| ||
| 110 | P | 56.4 | Low | 47.5 | Very low | 103 Ų | 103 | 145.9 Ų | 145.9 | 67% | 0.669 | 77% | 0.769 | S | S | * | * | trans | -63.3 | 145.4 | 165.3 | 27.2 | -32 | 0 | 0 | 0 | 108.7 | E108 | E108-P110 WeakPolarHBondContact O-CD 3.03Š| ||
| 111 | P | 52.1 | Low | 47.9 | Very low | 115 Ų | 115 | 148.5 Ų | 148.5 | 75% | 0.747 | 77% | 0.772 | S | S | * | * | trans | -61.3 | 141.9 | -175.5 | 26.4 | -33.5 | 0 | 0 | 0 | 110.2 | L113 | P111-L113 PolarHBondContact O-N 2.93Š| ||
| 112 | M | 43.4 | Very low | 48.2 | Very low | 189 Ų | 189 | 148.7 Ų | 148.7 | 93% | 0.931 | 78% | 0.78 | S | S | * | * | trans | -40.1 | 102.8 | 178.7 | -67 | -173.1 | 162.3 | 0 | 0 | 112.8 | R114 | M112-R114 PolarHBondContact O-N 3.24Š| ||
| 113 | L | 50.6 | Low | 48.3 | Very low | 175 Ų | 175 | 153.8 Ų | 153.8 | 92% | 0.916 | 79% | 0.792 | S | S | * | * | trans | -77.7 | 83.4 | 159.9 | -86.7 | 164.5 | 0 | 0 | 0 | 108 | P111 G115 | P111-L113 PolarHBondContact O-N 2.93Å; L113-G115 PolarHBondContact O-N 2.99Å | ||
| 114 | R | 43 | Very low | 48.3 | Very low | 245 Ų | 245 | 150.5 Ų | 150.5 | 93% | 0.925 | 79% | 0.792 | S | S | * | * | trans | -51 | 107.7 | 162.2 | -174.9 | -178.9 | -162.7 | 169 | 3.6 | 109.5 | M112 | M112-R114 PolarHBondContact O-N 3.24Š| ||
| 115 | G | 43.3 | Very low | 48.5 | Very low | 60 Ų | 60 | 149.3 Ų | 149.3 | 62% | 0.619 | 79% | 0.788 | S | S | * | * | trans | 102.7 | 107.6 | 163.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | L113 | L113-G115 PolarHBondContact O-N 2.99Š| ||
| 116 | L | 47.1 | Very low | 48.5 | Very low | 174 Ų | 174 | 147.4 Ų | 147.4 | 91% | 0.911 | 79% | 0.785 | S | S | * | * | -164.9 | 140.2 | 115.1 | -120.4 | 75.3 | 0 | 0 | 0 | 109.4 | |||||
| 117 | P | 45.4 | Very low | 48.6 | Very low | 115 Ų | 115 | 149.4 Ų | 149.4 | 75% | 0.747 | 78% | 0.784 | S | S | * | * | trans | -111 | 116.5 | -166.1 | 34.5 | -18.6 | 0 | 0 | 0 | 111.6 | ||||
| 118 | E | 53.7 | Low | 49.1 | Very low | 182 Ų | 182 | 152.9 Ų | 152.9 | 85% | 0.85 | 79% | 0.788 | S | S | * | * | trans | -146.7 | 110 | 161.9 | -74.4 | -161.5 | 127 | 0 | 0 | 107.5 | ||||
| 119 | H | 51.5 | Low | 49.3 | Very low | 150 Ų | 150 | 152.5 Ų | 152.5 | 69% | 0.694 | 79% | 0.786 | S | S | * | * | 59.7 | 119.5 | 102 | -88.4 | -85.9 | 0 | 0 | 0 | 110.7 | |||||
| 120 | D | 49.7 | Very low | 49.2 | Very low | 133 Ų | 133 | 155.4 Ų | 155.4 | 71% | 0.711 | 80% | 0.803 | S | S | * | * | cis | -161.7 | 161 | 40 | -112.5 | -35.8 | 0 | 0 | 0 | 112.5 | ||||
| 121 | K | 49.5 | Very low | 48.9 | Very low | 162 Ų | 162 | 158 Ų | 158 | 70% | 0.704 | 81% | 0.81 | S | S | * | * | trans | -71.1 | 132.5 | -177.4 | -56.7 | 146 | -176.6 | 175.3 | 0 | 109.8 | ||||
| 122 | N | 50.9 | Low | 48.7 | Very low | 162 Ų | 162 | 160.3 Ų | 160.3 | 87% | 0.866 | 81% | 0.813 | S | S | * | * | trans | -158.5 | 75.8 | 149.1 | -86.6 | -32.6 | 0 | 0 | 0 | 106.9 | ||||
| 123 | F | 44.7 | Very low | 49 | Very low | 192 Ų | 192 | 158.7 Ų | 158.7 | 84% | 0.842 | 81% | 0.807 | S | S | * | * | 87.8 | 111.6 | 96.8 | -123.1 | -85.8 | 0 | 0 | 0 | 112 | |||||
| 124 | T | 45.4 | Very low | 48.9 | Very low | 117 Ų | 117 | 157.7 Ų | 157.7 | 72% | 0.718 | 80% | 0.8 | S | S | * | * | trans | -70.9 | 167.4 | 178.1 | -36 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 125 | S | 53.4 | Low | 49.3 | Very low | 100 Ų | 100 | 152.3 Ų | 152.3 | 70% | 0.699 | 79% | 0.792 | S | S | * | * | trans | 96.8 | 96.9 | 157.7 | -44.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 126 | T | 50.5 | Low | 49.7 | Very low | 111 Ų | 111 | 158.4 Ų | 158.4 | 68% | 0.681 | 80% | 0.804 | S | S | * | * | 74.6 | 106.8 | 68.1 | -54.3 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 127 | E | 51.8 | Low | 49.9 | Very low | 167 Ų | 167 | 157.3 Ų | 157.3 | 78% | 0.78 | 80% | 0.796 | S | S | * | * | trans | 64.8 | 149 | 141.4 | -62.5 | 175.9 | 143.8 | 0 | 0 | 121.5 | ||||
| 128 | E | 53.5 | Low | 50.2 | Low | 179 Ų | 179 | 160.5 Ų | 160.5 | 84% | 0.836 | 80% | 0.8 | S | S | * | * | trans | 72.6 | 133.7 | 162.1 | -69 | 173.7 | 171.7 | 0 | 0 | 115.8 | ||||
| 129 | E | 51 | Low | 49.9 | Very low | 167 Ų | 167 | 158.8 Ų | 158.8 | 78% | 0.78 | 80% | 0.796 | S | S | * | * | cis | -174 | 151.7 | 3 | -164.2 | -178.6 | 138.8 | 0 | 0 | 104.9 | ||||
| 130 | Q | 47.3 | Very low | 49.8 | Very low | 265 Ų | 265 | 159.5 Ų | 159.5 | 100% | 1.238 | 81% | 0.805 | S | S | * | * | trans | 79.8 | 0 | 177.3 | -78.1 | -177 | -13.6 | 0 | 0 | 120.6 |
Retrieved 130 of 130 residues in 30.1 ms
(Link to these results)