| 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 | 44.7 | Very low | 44.1 | Very low | 250 Ų | 250 | 122.6 Ų | 122.6 | 100% | 1.232 | 87% | 0.872 | S | S | * | * | 0 | 129.3 | 0 | -79.8 | -177.3 | 165.3 | 0 | 0 | 108.1 | |||||
| 2 | A | 46.9 | Very low | 44.2 | Very low | 104 Ų | 104 | 118.6 Ų | 118.6 | 86% | 0.86 | 86% | 0.863 | S | S | * | * | trans | -89.1 | 141.6 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 3 | A | 43.1 | Very low | 43.8 | Very low | 105 Ų | 105 | 120.7 Ų | 120.7 | 87% | 0.868 | 87% | 0.865 | S | S | * | * | trans | -156.2 | 103.7 | 151 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 4 | S | 39.2 | Very low | 43.8 | Very low | 113 Ų | 113 | 120.7 Ų | 120.7 | 79% | 0.79 | 86% | 0.864 | S | S | * | * | trans | -79.2 | 145.1 | 161.2 | -52.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 5 | S | 37.7 | Very low | 44.2 | Very low | 108 Ų | 108 | 117.9 Ų | 117.9 | 76% | 0.755 | 86% | 0.86 | S | S | * | * | trans | 170.4 | 108.2 | 136.6 | 48.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 6 | S | 42 | Very low | 44.2 | Very low | 118 Ų | 118 | 117.6 Ų | 117.6 | 83% | 0.825 | 86% | 0.855 | S | S | * | * | 71.8 | 114.7 | 87.7 | -53.6 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 7 | S | 44.6 | Very low | 44.3 | Very low | 117 Ų | 117 | 115.8 Ų | 115.8 | 82% | 0.818 | 84% | 0.841 | S | S | * | * | 178.2 | 123.2 | 116.6 | 58.1 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 8 | S | 48.5 | Very low | 44.3 | Very low | 122 Ų | 122 | 117.3 Ų | 117.3 | 85% | 0.853 | 84% | 0.843 | S | S | * | * | trans | -62.3 | 148 | 160.4 | -24.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 9 | S | 46.8 | Very low | 44.5 | Very low | 122 Ų | 122 | 117.7 Ų | 117.7 | 85% | 0.853 | 84% | 0.839 | S | S | * | * | trans | -146.6 | 100.7 | 156.1 | 46 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 10 | A | 49.3 | Very low | 44.7 | Very low | 106 Ų | 106 | 115.6 Ų | 115.6 | 88% | 0.876 | 84% | 0.835 | S | S | * | * | trans | -79.8 | 151 | 157.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 11 | G | 41.9 | Very low | 45.1 | Very low | 84 Ų | 84 | 115.6 Ų | 115.6 | 87% | 0.866 | 83% | 0.834 | S | S | * | * | trans | 132.5 | 121.5 | 156.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 12 | G | 45.3 | Very low | 45.1 | Very low | 74 Ų | 74 | 107.4 Ų | 107.4 | 76% | 0.763 | 81% | 0.813 | S | S | * | * | trans | 139.1 | 59 | 159.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | S14 | G12-S14 PolarHBondContact O-N 3.5Š| ||
| 13 | V | 39.9 | Very low | 44.8 | Very low | 146 Ų | 146 | 111.5 Ų | 111.5 | 89% | 0.885 | 81% | 0.812 | S | S | * | * | trans | -71.3 | 105.1 | 157.7 | -51.4 | 0 | 0 | 0 | 0 | 106.1 | G15 | V13-G15 PolarHBondContact O-N 2.84Š| ||
| 14 | S | 43.3 | Very low | 44.8 | Very low | 121 Ų | 121 | 111.7 Ų | 111.7 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | trans | -77.9 | 103.4 | 166.8 | -80 | 0 | 0 | 0 | 0 | 107.1 | G12 S16 | G12-S14 PolarHBondContact O-N 3.5Å; S14-S16 PolarHBondContact O-N 3.06Å; S14-S16 VanDerWaalsContact O-N 3.08Å | ||
| 15 | G | 49.9 | Very low | 45.2 | Very low | 78 Ų | 78 | 109.4 Ų | 109.4 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -60.2 | 107.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | V13 | V13-G15 PolarHBondContact O-N 2.84Š| ||
| 16 | S | 44.8 | Very low | 45.8 | Very low | 113 Ų | 113 | 109.7 Ų | 109.7 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | trans | -90 | 113.6 | 155.9 | -163.4 | 0 | 0 | 0 | 0 | 107 | S14 V18 | S14-S16 PolarHBondContact O-N 3.06Å; S14-S16 VanDerWaalsContact O-N 3.08Å; S16-V18 PolarHBondContact O-N 3.29Å | ||
| 17 | S | 45.1 | Very low | 46 | Very low | 88 Ų | 88 | 112.3 Ų | 112.3 | 62% | 0.615 | 80% | 0.796 | S | S | * | * | trans | -20.4 | 119.9 | 169.6 | 37.6 | 0 | 0 | 0 | 0 | 114.8 | T19 | S17-T19 PolarHBondContact O-N 2.91Š| ||
| 18 | V | 45.1 | Very low | 46.6 | Very low | 143 Ų | 143 | 115.3 Ų | 115.3 | 87% | 0.867 | 80% | 0.802 | S | S | * | * | trans | -49.2 | 103.8 | 150.7 | 18.3 | 0 | 0 | 0 | 0 | 108.1 | S16 | S16-V18 PolarHBondContact O-N 3.29Š| ||
| 19 | T | 48.2 | Very low | 46.5 | Very low | 125 Ų | 125 | 115.8 Ų | 115.8 | 77% | 0.767 | 79% | 0.794 | S | S | * | * | trans | -104.7 | 103.6 | 155.2 | 56.9 | 0 | 0 | 0 | 0 | 105.9 | S17 S21 | S17-T19 PolarHBondContact O-N 2.91Å; T19-S21 PolarHBondContact O-N 3.49Å | ||
| 20 | G | 48.5 | Very low | 46.4 | Very low | 74 Ų | 74 | 114.7 Ų | 114.7 | 76% | 0.763 | 78% | 0.784 | S | S | * | * | trans | -62.7 | 132.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 21 | S | 51.9 | Low | 46.4 | Very low | 116 Ų | 116 | 115.9 Ų | 115.9 | 81% | 0.811 | 78% | 0.783 | S | S | * | * | trans | -155.4 | 118.2 | 147.6 | 73.3 | 0 | 0 | 0 | 0 | 110 | T19 | T19-S21 PolarHBondContact O-N 3.49Š| ||
| 22 | G | 45.5 | Very low | 47.3 | Very low | 78 Ų | 78 | 122 Ų | 122 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | 74.7 | 95.7 | 144 | 0 | 0 | 0 | 0 | 0 | 116.9 | S24 | G22-S24 PolarHBondContact O-N 3.25Š| ||
| 23 | F | 41.2 | Very low | 47.7 | Very low | 191 Ų | 191 | 127.2 Ų | 127.2 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | trans | -49.2 | 128.1 | 145.3 | -180 | -91.2 | 0 | 0 | 0 | 110.3 | A25 | F23-A25 HydrophobicContact CZ-CB 4.23Š| ||
| 24 | S | 42.8 | Very low | 48.3 | Very low | 108 Ų | 108 | 127.3 Ų | 127.3 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | trans | -155.1 | 96.6 | 139.1 | -146.9 | 0 | 0 | 0 | 0 | 109.7 | G22 | G22-S24 PolarHBondContact O-N 3.25Š| ||
| 25 | A | 45.9 | Very low | 48.8 | Very low | 66 Ų | 66 | 128.5 Ų | 128.5 | 55% | 0.545 | 78% | 0.778 | S | S | . | * | trans | -63.9 | 142.1 | 157.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | F23 | F23-A25 HydrophobicContact CZ-CB 4.23Š| ||
| 26 | S | 51.4 | Low | 48.7 | Very low | 114 Ų | 114 | 134.7 Ų | 134.7 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | trans | 80.7 | 88.5 | 173 | -50.8 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 27 | E | 46.5 | Very low | 49.3 | Very low | 172 Ų | 172 | 135.6 Ų | 135.6 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | -150.4 | 113.4 | 132.2 | -145.1 | 154.3 | -172.6 | 0 | 0 | 110.4 | I29 | E27-I29 VanDerWaalsContact C-N 3.3Å; E27-I29 HydrophobicContact CB-CD1 4.44Å; E27-I29 HydrophobicContact CB-CG1 4.31Å; E27-I29 HydrophobicContact CG-CG1 4.42Å; E27-I29 PolarHBondContact O-N 3.23Å | ||
| 28 | L | 56 | Low | 49.2 | Very low | 180 Ų | 180 | 138.2 Ų | 138.2 | 94% | 0.942 | 78% | 0.777 | S | S | * | * | trans | -63.7 | 87.8 | 171 | -81.8 | 152.8 | 0 | 0 | 0 | 108.8 | P30 | L28-P30 WeakPolarHBondContact O-CD 3.27Š| ||
| 29 | I | 46.8 | Very low | 49.5 | Very low | 133 Ų | 133 | 136.4 Ų | 136.4 | 68% | 0.682 | 77% | 0.768 | S | S | * | * | trans | -97.8 | 114.7 | 172.6 | -59.8 | 165.7 | 0 | 0 | 0 | 107.7 | E27 | E27-I29 VanDerWaalsContact C-N 3.3Å; E27-I29 HydrophobicContact CB-CD1 4.44Å; E27-I29 HydrophobicContact CB-CG1 4.31Å; E27-I29 HydrophobicContact CG-CG1 4.42Å; E27-I29 PolarHBondContact O-N 3.23Å | ||
| 30 | P | 44.1 | Very low | 50.1 | Low | 99 Ų | 99 | 140.2 Ų | 140.2 | 64% | 0.643 | 77% | 0.774 | S | S | * | * | trans | -53.9 | 144.3 | 175.5 | -26.3 | 34.9 | 0 | 0 | 0 | 111.4 | L28 R32 | L28-P30 WeakPolarHBondContact O-CD 3.27Å; P30-R32 PolarHBondContact O-N 3.49Å | ||
| 31 | P | 50.2 | Low | 50.4 | Low | 131 Ų | 131 | 140.4 Ų | 140.4 | 85% | 0.851 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -78.4 | 66.3 | -170 | 33.4 | -35.7 | 0 | 0 | 0 | 110.7 | ||
| 32 | R | 60.2 | Low | 50.5 | Low | 211 Ų | 211 | 138.3 Ų | 138.3 | 80% | 0.796 | 77% | 0.765 | S | S | * | * | trans | -151.5 | 81.1 | 174.5 | -70.7 | -166.4 | 170.8 | 112.1 | 0 | 109.6 | P30 | P30-R32 PolarHBondContact O-N 3.49Š| ||
| 33 | K | 53.8 | Low | 51 | Low | 185 Ų | 185 | 137.1 Ų | 137.1 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | trans | 163.3 | 59.8 | 140.3 | -70.9 | -22.8 | 159.9 | 165.7 | 0 | 109.7 | L35 | K33-L35 PolarHBondContact O-N 2.78Š| ||
| 34 | V | 52.8 | Low | 51.6 | Low | 148 Ų | 148 | 137.1 Ų | 137.1 | 90% | 0.897 | 76% | 0.756 | S | S | * | * | trans | -86 | 103.7 | 153.5 | 169.1 | 0 | 0 | 0 | 0 | 105.2 | Y36 | V34-Y36 PolarHBondContact O-N 3.48Š| ||
| 35 | L | 54.4 | Low | 52.1 | Low | 146 Ų | 146 | 141 Ų | 141 | 76% | 0.764 | 77% | 0.765 | S | S | * | * | trans | -53.5 | 120.5 | 175.3 | -69.3 | 163.3 | 0 | 0 | 0 | 108.4 | K33 T37 | K33-L35 PolarHBondContact O-N 2.78Å; L35-T37 VanDerWaalsContact C-N 3.3Å; L35-T37 PolarHBondContact O-N 3.42Å; L35-T37 PolarHBondContact O-OG1 3.39Å | ||
| 36 | Y | 48.3 | Very low | 52.6 | Low | 208 Ų | 208 | 144.5 Ų | 144.5 | 82% | 0.816 | 77% | 0.771 | S | S | * | * | trans | -56.2 | 93.6 | 169.3 | -169.8 | -94.7 | 0 | 0 | 0 | 108.4 | V34 Y38 | V34-Y36 PolarHBondContact O-N 3.48Å; Y36-Y38 HydrophobicContact CE1-CD2 4.1Å; Y36-Y38 PolarHBondContact O-N 3.11Å | ||
| 37 | T | 57.2 | Low | 52.8 | Low | 131 Ų | 131 | 145.7 Ų | 145.7 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | trans | -86.3 | 94 | 172.7 | 11 | 0 | 0 | 0 | 0 | 106.6 | L35 P39 | L35-T37 VanDerWaalsContact C-N 3.3Å; L35-T37 PolarHBondContact O-N 3.42Å; L35-T37 PolarHBondContact O-OG1 3.39Å; T37-P39 WeakPolarHBondContact O-CD 3.41Å | ||
| 38 | Y | 42.5 | Very low | 53.5 | Low | 144 Ų | 144 | 145.2 Ų | 145.2 | 57% | 0.565 | 77% | 0.767 | S | S | * | * | trans | -60.9 | 118.2 | 172 | -177.2 | -97.2 | 0 | 0 | 0 | 108.8 | Y36 K40 | Y36-Y38 HydrophobicContact CE1-CD2 4.1Å; Y36-Y38 PolarHBondContact O-N 3.11Å; Y38-K40 PolarHBondContact O-N 3.22Å | ||
| 39 | P | 51.7 | Low | 53.9 | Low | 105 Ų | 105 | 139 Ų | 139 | 68% | 0.682 | 75% | 0.747 | S | S | * | * | trans | -64.5 | 111.1 | 176.1 | 24.4 | -29.9 | 0 | 0 | 0 | 108.6 | T37 G41 | T37-P39 WeakPolarHBondContact O-CD 3.41Å; P39-G41 PolarHBondContact O-N 3.15Å; P39-G41 VanDerWaalsContact O-N 3.07Å | ||
| 40 | K | 60.9 | Low | 55.5 | Low | 205 Ų | 205 | 134.8 Ų | 134.8 | 89% | 0.891 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | 95.4 | -179.7 | -156.1 | 114.5 | -178.4 | 175.3 | 0 | 108.1 | Y38 | Y38-K40 PolarHBondContact O-N 3.22Š|
| 41 | G | 53.8 | Low | 57.5 | Low | 78 Ų | 78 | 135.8 Ų | 135.8 | 80% | 0.804 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 152.4 | 20 | 170.6 | 0 | 0 | 0 | 0 | 0 | 119.3 | P39 | P39-G41 PolarHBondContact O-N 3.15Å; P39-G41 VanDerWaalsContact O-N 3.07Å |
| 42 | A | 53.7 | Low | 59.5 | Low | 71 Ų | 71 | 139.2 Ų | 139.2 | 59% | 0.587 | 73% | 0.725 | S | S | * | * | trans | -133.1 | 35.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | E44 | A42-E44 PolarHBondContact O-N 3.05Š| ||
| 43 | G | 57.2 | Low | 61 | Low | 54 Ų | 54 | 135.9 Ų | 135.9 | 56% | 0.557 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | 9.6 | -170.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 44 | E | 54 | Low | 62.8 | Low | 190 Ų | 190 | 132 Ų | 132 | 89% | 0.888 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.1 | 9.7 | -174.6 | -72.7 | -156.4 | 141 | 0 | 0 | 116 | A42 | A42-E44 PolarHBondContact O-N 3.05Š|
| 45 | M | 52.5 | Low | 64.8 | Low | 190 Ų | 190 | 128.9 Ų | 128.9 | 94% | 0.936 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -139.9 | 8.8 | 178.2 | -48.1 | -168.7 | 93.2 | 0 | 0 | 115.9 | ||
| 46 | M | 55.9 | Low | 66.8 | Low | 140 Ų | 140 | 127.3 Ų | 127.3 | 69% | 0.69 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -120.8 | 13.6 | -169.3 | -154.5 | 175.6 | 165 | 0 | 0 | 115 | ||
| 47 | E | 56.3 | Low | 69 | Low | 139 Ų | 139 | 119.6 Ų | 119.6 | 65% | 0.65 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -97.9 | -28.6 | -170.6 | -65 | -66 | 126.7 | 0 | 0 | 114.1 | S50 | E47-S50 PolarHBondContact O-OG 2.92Å |
| 48 | D | 61 | Low | 71 | Confident | 162 Ų | 162 | 117.8 Ų | 117.8 | 87% | 0.866 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -83.6 | -15.4 | -177 | -85.5 | -22.7 | 0 | 0 | 0 | 114.5 | ||
| 49 | G | 65.6 | Low | 73.6 | Confident | 49 Ų | 49 | 116.8 Ų | 116.8 | 51% | 0.505 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -93.6 | -31.3 | -177 | 0 | 0 | 0 | 0 | 0 | 114.1 | F53 | G49-F53 VanDerWaalsContact O-CB 3.27Å; G49-F53 WeakPolarHBondContact O-CB 3.5Å; G49-F53 PolarHBondContact O-N 3Å |
| 50 | S | 79.9 | Confident | 75.8 | Confident | 44 Ų | 44 | 114.5 Ų | 114.5 | 31% | 0.308 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -69 | -46.1 | -174.7 | 46.3 | 0 | 0 | 0 | 0 | 112 | E47 R52 F53 L54 | E47-S50 PolarHBondContact O-OG 2.92Å; S50-R52 PolarHBondContact O-N 3.15Å; S50-F53 PolarHBondContact O-N 2.76Å; S50-L54 WeakPolarHBondContact O-CB 3.43Å; S50-L54 VanDerWaalsContact O-CG 3.29Å; S50-L54 WeakPolarHBondContact O-CG 3.41Å; S50-L54 PolarHBondContact O-N 3.12Å |
| 51 | D | 86.3 | Confident | 77.6 | Confident | 120 Ų | 120 | 113 Ų | 113 | 64% | 0.642 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -66.6 | -39.7 | -179.7 | -80.6 | 4.3 | 0 | 0 | 0 | 111.6 | L54 C55 | D51-L54 PolarHBondContact O-N 3.36Å; D51-C55 VanDerWaalsContact O-CB 3.27Å; D51-C55 WeakPolarHBondContact O-CB 3.44Å; D51-C55 PolarHBondContact O-N 3.3Å |
| 52 | R | 91.2 | Very high | 79.8 | Confident | 203 Ų | 203 | 115.6 Ų | 115.6 | 77% | 0.766 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -62.9 | -43 | 172.7 | -177.6 | 176.2 | 175.4 | 177.4 | -0.6 | 111.6 | S50 C55 E56 | S50-R52 PolarHBondContact O-N 3.15Å; R52-C55 PolarHBondContact O-N 3.04Å; R52-E56 WeakPolarHBondContact O-CB 3.39Å; R52-E56 PolarHBondContact O-N 2.9Å |
| 53 | F | 92.6 | Very high | 81.9 | Confident | 142 Ų | 142 | 115.5 Ų | 115.5 | 62% | 0.623 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -67.7 | -39.8 | 178.6 | -179.3 | -94.8 | 0 | 0 | 0 | 112.4 | G49 S50 E56 S57 | G49-F53 VanDerWaalsContact O-CB 3.27Å; G49-F53 WeakPolarHBondContact O-CB 3.5Å; G49-F53 PolarHBondContact O-N 3Å; S50-F53 PolarHBondContact O-N 2.76Å; F53-E56 PolarHBondContact O-N 3.39Å; F53-S57 WeakPolarHBondContact CE1-OG 3.32Å; F53-S57 VanDerWaalsContact O-CB 3.27Å; F53-S57 WeakPolarHBondContact O-CB 3.46Å; F53-S57 PolarHBondContact O-N 3.1Å; F53-S57 PolarHBondContact O-OG 3.23Å |
| 54 | L | 92.1 | Very high | 83.9 | Confident | 104 Ų | 104 | 115.6 Ų | 115.6 | 55% | 0.545 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -63.4 | -45.6 | 174.8 | -72.9 | 174.9 | 0 | 0 | 0 | 110.7 | S50 D51 E56 S57 V58 | S50-L54 WeakPolarHBondContact O-CB 3.43Å; S50-L54 VanDerWaalsContact O-CG 3.29Å; S50-L54 WeakPolarHBondContact O-CG 3.41Å; S50-L54 PolarHBondContact O-N 3.12Å; D51-L54 PolarHBondContact O-N 3.36Å; L54-E56 PolarHBondContact O-N 3.34Å; L54-S57 PolarHBondContact O-N 3.1Å; L54-V58 WeakPolarHBondContact O-CG1 3.49Å; L54-V58 WeakPolarHBondContact O-CG2 3.42Å; L54-V58 PolarHBondContact O-N 3.43Å |
| 55 | C | 94 | Very high | 86 | Confident | 82 Ų | 82 | 109.3 Ų | 109.3 | 55% | 0.554 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -57.1 | -48 | 174.5 | -171.8 | 0 | 0 | 0 | 0 | 111.6 | D51 R52 S57 V58 F59 | D51-C55 VanDerWaalsContact O-CB 3.27Å; D51-C55 WeakPolarHBondContact O-CB 3.44Å; D51-C55 PolarHBondContact O-N 3.3Å; R52-C55 PolarHBondContact O-N 3.04Å; C55-S57 VanDerWaalsContact C-N 3.32Å; C55-S57 PolarHBondContact O-N 3.39Å; C55-V58 WeakPolarHBondContact O-CG2 3.47Å; C55-V58 PolarHBondContact O-N 3.19Å; C55-F59 VanDerWaalsContact O-CB 3.29Å; C55-F59 WeakPolarHBondContact O-CB 3.46Å; C55-F59 PolarHBondContact O-N 3.16Å |
| 56 | E | 95.9 | Very high | 88.2 | Confident | 113 Ų | 113 | 104 Ų | 104 | 53% | 0.528 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -63.5 | -37.9 | 177.2 | -172.6 | 66.6 | -175.5 | 0 | 0 | 112.3 | R52 F53 L54 F59 S60 | R52-E56 WeakPolarHBondContact O-CB 3.39Å; R52-E56 PolarHBondContact O-N 2.9Å; F53-E56 PolarHBondContact O-N 3.39Å; L54-E56 PolarHBondContact O-N 3.34Å; E56-F59 PolarHBondContact O-N 3.34Å; E56-S60 VanDerWaalsContact O-CB 3.22Å; E56-S60 WeakPolarHBondContact O-CB 3.33Å; E56-S60 PolarHBondContact O-N 3.2Å; E56-S60 PolarHBondContact O-OG 3.21Å |
| 57 | S | 95.7 | Very high | 90.2 | Very high | 46 Ų | 46 | 101.7 Ų | 101.7 | 32% | 0.322 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -68.4 | -45.3 | -179.9 | -63.6 | 0 | 0 | 0 | 0 | 111.7 | F53 L54 C55 F59 S60 Y61 | F53-S57 WeakPolarHBondContact CE1-OG 3.32Å; F53-S57 VanDerWaalsContact O-CB 3.27Å; F53-S57 WeakPolarHBondContact O-CB 3.46Å; F53-S57 PolarHBondContact O-N 3.1Å; F53-S57 PolarHBondContact O-OG 3.23Å; L54-S57 PolarHBondContact O-N 3.1Å; C55-S57 VanDerWaalsContact C-N 3.32Å; C55-S57 PolarHBondContact O-N 3.39Å; S57-F59 VanDerWaalsContact C-N 3.33Å; S57-S60 PolarHBondContact O-N 3.16Å; S57-Y61 WeakPolarHBondContact O-CB 3.41Å; S57-Y61 PolarHBondContact O-N 3.26Å |
| 58 | V | 97.7 | Very high | 92.3 | Very high | 92 Ų | 92 | 102.3 Ų | 102.3 | 56% | 0.558 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -67.6 | -37.2 | 176.5 | -61.1 | 0 | 0 | 0 | 0 | 111.2 | L54 C55 Y61 Q62 | L54-V58 WeakPolarHBondContact O-CG1 3.49Å; L54-V58 WeakPolarHBondContact O-CG2 3.42Å; L54-V58 PolarHBondContact O-N 3.43Å; C55-V58 WeakPolarHBondContact O-CG2 3.47Å; C55-V58 PolarHBondContact O-N 3.19Å; V58-Y61 PolarHBondContact O-N 2.79Å; V58-Q62 WeakPolarHBondContact O-CB 3.46Å; V58-Q62 PolarHBondContact O-N 3.38Å |
| 59 | F | 98.3 | Very high | 94 | Very high | 124 Ų | 124 | 99 Ų | 99 | 54% | 0.544 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.1 | -50.3 | 174 | 177.7 | -100.6 | 0 | 0 | 0 | 111.4 | C55 E56 S57 Y61 Q62 V63 | C55-F59 VanDerWaalsContact O-CB 3.29Å; C55-F59 WeakPolarHBondContact O-CB 3.46Å; C55-F59 PolarHBondContact O-N 3.16Å; E56-F59 PolarHBondContact O-N 3.34Å; S57-F59 VanDerWaalsContact C-N 3.33Å; F59-Y61 VanDerWaalsContact C-N 3.31Å; F59-Y61 PolarHBondContact O-N 3.28Å; F59-Q62 WeakPolarHBondContact O-CB 3.45Å; F59-Q62 PolarHBondContact O-N 3.05Å; F59-Q62 VanDerWaalsContact O-N 3.1Å; F59-V63 HydrophobicContact CD1-CG2 4.3Å; F59-V63 HydrophobicContact CE1-CG2 3.84Å; F59-V63 HydrophobicContact CE2-CG2 4.11Å; F59-V63 HydrophobicContact CZ-CG2 3.73Å; F59-V63 WeakPolarHBondContact O-CG2 3.38Å; F59-V63 PolarHBondContact O-N 3.43Å |
| 60 | S | 98.2 | Very high | 95.6 | Very high | 57 Ų | 57 | 101 Ų | 101 | 40% | 0.399 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59.5 | -42.4 | 178.1 | -65.7 | 0 | 0 | 0 | 0 | 111.8 | E56 S57 V63 A64 | E56-S60 VanDerWaalsContact O-CB 3.22Å; E56-S60 WeakPolarHBondContact O-CB 3.33Å; E56-S60 PolarHBondContact O-N 3.2Å; E56-S60 PolarHBondContact O-OG 3.21Å; S57-S60 PolarHBondContact O-N 3.16Å; S60-V63 PolarHBondContact O-N 2.85Å; S60-A64 WeakPolarHBondContact O-CB 3.39Å; S60-A64 PolarHBondContact O-N 3.5Å |
| 61 | Y | 98.3 | Very high | 96.5 | Very high | 172 Ų | 172 | 105 Ų | 105 | 68% | 0.675 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61.3 | -44.8 | 174.3 | 175 | -101.7 | 0 | 0 | 0 | 111.7 | S57 V58 F59 V63 A64 S65 | S57-Y61 WeakPolarHBondContact O-CB 3.41Å; S57-Y61 PolarHBondContact O-N 3.26Å; V58-Y61 PolarHBondContact O-N 2.79Å; F59-Y61 VanDerWaalsContact C-N 3.31Å; F59-Y61 PolarHBondContact O-N 3.28Å; Y61-V63 PolarHBondContact O-N 3.37Å; Y61-A64 PolarHBondContact O-N 3.08Å; Y61-S65 WeakPolarHBondContact O-CB 3.49Å; Y61-S65 PolarHBondContact O-N 3.32Å |
| 62 | Q | 98.6 | Very high | 97.1 | Very high | 133 Ų | 133 | 104.8 Ų | 104.8 | 62% | 0.621 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.1 | -44.8 | 179.2 | -167.6 | 124 | 23.9 | 0 | 0 | 111.4 | V58 F59 S65 T66 | V58-Q62 WeakPolarHBondContact O-CB 3.46Å; V58-Q62 PolarHBondContact O-N 3.38Å; F59-Q62 WeakPolarHBondContact O-CB 3.45Å; F59-Q62 PolarHBondContact O-N 3.05Å; F59-Q62 VanDerWaalsContact O-N 3.1Å; Q62-S65 PolarHBondContact O-N 3.05Å; Q62-T66 WeakPolarHBondContact O-CG2 3.38Å; Q62-T66 PolarHBondContact O-N 3.41Å; Q62-T66 PolarHBondContact O-OG1 3.14Å |
| 63 | V | 98.8 | Very high | 97.5 | Very high | 69 Ų | 69 | 99 Ų | 99 | 42% | 0.418 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.1 | -42.8 | 175.4 | 174.1 | 0 | 0 | 0 | 0 | 111.5 | F59 S60 Y61 S65 T66 L67 | F59-V63 HydrophobicContact CD1-CG2 4.3Å; F59-V63 HydrophobicContact CE1-CG2 3.84Å; F59-V63 HydrophobicContact CE2-CG2 4.11Å; F59-V63 HydrophobicContact CZ-CG2 3.73Å; F59-V63 WeakPolarHBondContact O-CG2 3.38Å; F59-V63 PolarHBondContact O-N 3.43Å; S60-V63 PolarHBondContact O-N 2.85Å; Y61-V63 PolarHBondContact O-N 3.37Å; V63-S65 VanDerWaalsContact C-N 3.31Å; V63-S65 PolarHBondContact O-N 3.15Å; V63-T66 WeakPolarHBondContact CA-OG1 3.48Å; V63-T66 PolarHBondContact O-N 3.07Å; V63-T66 PolarHBondContact O-OG1 2.94Å; V63-L67 VanDerWaalsContact O-CB 3.3Å; V63-L67 WeakPolarHBondContact O-CB 3.32Å; V63-L67 PolarHBondContact O-N 3.4Å |
| 64 | A | 98.6 | Very high | 97.8 | Very high | 57 Ų | 57 | 97.5 Ų | 97.5 | 47% | 0.471 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.2 | -40.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | S60 Y61 L67 K68 | S60-A64 WeakPolarHBondContact O-CB 3.39Å; S60-A64 PolarHBondContact O-N 3.5Å; Y61-A64 PolarHBondContact O-N 3.08Å; A64-L67 PolarHBondContact O-N 3.21Å; A64-K68 WeakPolarHBondContact O-CB 3.5Å; A64-K68 PolarHBondContact O-N 3.29Å |
| 65 | S | 98.6 | Very high | 98.1 | Very high | 57 Ų | 57 | 96.8 Ų | 96.8 | 40% | 0.399 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.4 | -45.7 | 177 | -172.6 | 0 | 0 | 0 | 0 | 111.8 | Y61 Q62 V63 K68 Q69 | Y61-S65 WeakPolarHBondContact O-CB 3.49Å; Y61-S65 PolarHBondContact O-N 3.32Å; Q62-S65 PolarHBondContact O-N 3.05Å; V63-S65 VanDerWaalsContact C-N 3.31Å; V63-S65 PolarHBondContact O-N 3.15Å; S65-K68 WeakPolarHBondContact O-CB 3.49Å; S65-K68 PolarHBondContact O-N 2.86Å; S65-Q69 PolarHBondContact O-N 3.48Å |
| 66 | T | 98.6 | Very high | 98.3 | Very high | 78 Ų | 78 | 95.5 Ų | 95.5 | 48% | 0.479 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.7 | -39.6 | 177 | 55.3 | 0 | 0 | 0 | 0 | 111.4 | Q62 V63 K68 Q69 V70 | Q62-T66 WeakPolarHBondContact O-CG2 3.38Å; Q62-T66 PolarHBondContact O-N 3.41Å; Q62-T66 PolarHBondContact O-OG1 3.14Å; V63-T66 WeakPolarHBondContact CA-OG1 3.48Å; V63-T66 PolarHBondContact O-N 3.07Å; V63-T66 PolarHBondContact O-OG1 2.94Å; T66-K68 VanDerWaalsContact C-N 3.32Å; T66-K68 PolarHBondContact O-N 3.28Å; T66-Q69 WeakPolarHBondContact O-CB 3.48Å; T66-Q69 PolarHBondContact O-N 3.09Å; T66-V70 WeakPolarHBondContact O-CG2 3.45Å; T66-V70 PolarHBondContact O-N 3.38Å |
| 67 | L | 98.8 | Very high | 98.4 | Very high | 92 Ų | 92 | 92.5 Ų | 92.5 | 48% | 0.482 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.8 | -41.8 | 174.3 | -179.4 | 62.5 | 0 | 0 | 0 | 111.8 | V63 A64 K71 | V63-L67 VanDerWaalsContact O-CB 3.3Å; V63-L67 WeakPolarHBondContact O-CB 3.32Å; V63-L67 PolarHBondContact O-N 3.4Å; A64-L67 PolarHBondContact O-N 3.21Å; L67-K71 WeakPolarHBondContact O-CG 3.39Å; L67-K71 PolarHBondContact O-N 3.05Å |
| 68 | K | 98.7 | Very high | 98.6 | Very high | 153 Ų | 153 | 96 Ų | 96 | 67% | 0.665 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.1 | -45.7 | 175.1 | -175.4 | -177 | 176.3 | -174.3 | 0 | 110.9 | A64 S65 T66 K71 Q72 | A64-K68 WeakPolarHBondContact O-CB 3.5Å; A64-K68 PolarHBondContact O-N 3.29Å; S65-K68 WeakPolarHBondContact O-CB 3.49Å; S65-K68 PolarHBondContact O-N 2.86Å; T66-K68 VanDerWaalsContact C-N 3.32Å; T66-K68 PolarHBondContact O-N 3.28Å; K68-K71 PolarHBondContact O-N 2.84Å; K68-Q72 PolarHBondContact O-N 2.94Å |
| 69 | Q | 98.6 | Very high | 98.6 | Very high | 92 Ų | 92 | 96.6 Ų | 96.6 | 43% | 0.43 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.1 | -50.6 | 177.9 | -174.2 | 61 | 39.2 | 0 | 0 | 111.5 | S65 T66 K71 Q72 D73 | S65-Q69 PolarHBondContact O-N 3.48Å; T66-Q69 WeakPolarHBondContact O-CB 3.48Å; T66-Q69 PolarHBondContact O-N 3.09Å; Q69-K71 VanDerWaalsContact C-N 3.29Å; Q69-K71 PolarHBondContact O-N 3.28Å; Q69-Q72 WeakPolarHBondContact O-CB 3.48Å; Q69-Q72 PolarHBondContact O-N 3.42Å; Q69-D73 PolarHBondContact NE2-OD1 3.02Å; Q69-D73 PolarHBondContact NE2-OD2 3.47Å; Q69-D73 VanDerWaalsContact O-CG 3.31Å; Q69-D73 PolarHBondContact O-N 2.96Å |
| 70 | V | 98.8 | Very high | 98.6 | Very high | 91 Ų | 91 | 97.4 Ų | 97.4 | 55% | 0.552 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -58.8 | -40.9 | 179.7 | 170.2 | 0 | 0 | 0 | 0 | 111.7 | T66 D73 Q74 | T66-V70 WeakPolarHBondContact O-CG2 3.45Å; T66-V70 PolarHBondContact O-N 3.38Å; V70-D73 PolarHBondContact O-N 3.05Å; V70-Q74 WeakPolarHBondContact O-CB 3.3Å; V70-Q74 PolarHBondContact O-N 3.07Å |
| 71 | K | 98.7 | Very high | 98.6 | Very high | 127 Ų | 127 | 101.3 Ų | 101.3 | 55% | 0.552 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.8 | -41.4 | 176.1 | -76.6 | -179 | 177.9 | -178.9 | 0 | 112.2 | L67 K68 Q69 Q75 | L67-K71 WeakPolarHBondContact O-CG 3.39Å; L67-K71 PolarHBondContact O-N 3.05Å; K68-K71 PolarHBondContact O-N 2.84Å; Q69-K71 VanDerWaalsContact C-N 3.29Å; Q69-K71 PolarHBondContact O-N 3.28Å; K71-Q75 WeakPolarHBondContact O-CB 3.22Å; K71-Q75 PolarHBondContact O-N 3.47Å |
| 72 | Q | 98.7 | Very high | 98.6 | Very high | 116 Ų | 116 | 98.1 Ų | 98.1 | 54% | 0.542 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64 | -46.1 | 176.9 | -177 | 176.8 | -16.2 | 0 | 0 | 111 | K68 Q69 Q74 Q75 A76 | K68-Q72 PolarHBondContact O-N 2.94Å; Q69-Q72 WeakPolarHBondContact O-CB 3.48Å; Q69-Q72 PolarHBondContact O-N 3.42Å; Q72-Q74 VanDerWaalsContact C-N 3.35Å; Q72-Q74 PolarHBondContact O-N 3.28Å; Q72-Q75 PolarHBondContact O-N 2.91Å; Q72-Q75 VanDerWaalsContact O-N 3.15Å; Q72-A76 WeakPolarHBondContact O-CB 3.45Å; Q72-A76 PolarHBondContact O-N 2.88Å |
| 73 | D | 98.7 | Very high | 98.6 | Very high | 81 Ų | 81 | 94.8 Ų | 94.8 | 43% | 0.433 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.1 | -40.1 | 179.9 | -64.6 | -19.6 | 0 | 0 | 0 | 111.5 | Q69 V70 Q75 A76 S77 | Q69-D73 PolarHBondContact NE2-OD1 3.02Å; Q69-D73 PolarHBondContact NE2-OD2 3.47Å; Q69-D73 VanDerWaalsContact O-CG 3.31Å; Q69-D73 PolarHBondContact O-N 2.96Å; V70-D73 PolarHBondContact O-N 3.05Å; D73-Q75 VanDerWaalsContact C-N 3.29Å; D73-Q75 PolarHBondContact O-N 3.43Å; D73-A76 PolarHBondContact O-N 2.85Å; D73-S77 WeakPolarHBondContact O-CB 3.43Å; D73-S77 PolarHBondContact O-N 2.81Å |
| 74 | Q | 98.7 | Very high | 98.5 | Very high | 112 Ų | 112 | 94.8 Ų | 94.8 | 52% | 0.523 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.8 | -38.1 | 174.5 | -166.7 | -166.6 | 40.9 | 0 | 0 | 111.8 | V70 Q72 R78 | V70-Q74 WeakPolarHBondContact O-CB 3.3Å; V70-Q74 PolarHBondContact O-N 3.07Å; Q72-Q74 VanDerWaalsContact C-N 3.35Å; Q72-Q74 PolarHBondContact O-N 3.28Å; Q74-R78 WeakPolarHBondContact O-CB 3.5Å; Q74-R78 WeakPolarHBondContact O-CG 3.41Å; Q74-R78 PolarHBondContact O-N 2.88Å; Q74-R78 VanDerWaalsContact O-N 3.07Å; Q74-R78 PolarHBondContact O-NE 3.45Å |
| 75 | Q | 98.6 | Very high | 98.5 | Very high | 88 Ų | 88 | 96.1 Ų | 96.1 | 41% | 0.411 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -70.1 | -41.9 | 176.1 | -177.5 | 63.2 | 6.2 | 0 | 0 | 111.2 | K71 Q72 D73 R78 M79 | K71-Q75 WeakPolarHBondContact O-CB 3.22Å; K71-Q75 PolarHBondContact O-N 3.47Å; Q72-Q75 PolarHBondContact O-N 2.91Å; Q72-Q75 VanDerWaalsContact O-N 3.15Å; D73-Q75 VanDerWaalsContact C-N 3.29Å; D73-Q75 PolarHBondContact O-N 3.43Å; Q75-R78 PolarHBondContact O-N 2.89Å; Q75-R78 VanDerWaalsContact OE1-CZ 3.3Å; Q75-R78 VanDerWaalsContact OE1-NH1 3.11Å; Q75-M79 WeakPolarHBondContact O-CG 3.34Å; Q75-M79 PolarHBondContact O-N 3.48Å |
| 76 | A | 98.6 | Very high | 98.5 | Very high | 55 Ų | 55 | 97 Ų | 97 | 46% | 0.455 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.2 | -47 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q72 D73 R78 M79 E80 | Q72-A76 WeakPolarHBondContact O-CB 3.45Å; Q72-A76 PolarHBondContact O-N 2.88Å; D73-A76 PolarHBondContact O-N 2.85Å; A76-R78 VanDerWaalsContact C-N 3.33Å; A76-R78 PolarHBondContact O-N 2.84Å; A76-M79 WeakPolarHBondContact O-CB 3.34Å; A76-M79 PolarHBondContact O-N 3.28Å; A76-M79 VanDerWaalsContact O-N 3.14Å; A76-E80 WeakPolarHBondContact O-CB 3.37Å; A76-E80 PolarHBondContact O-N 3.43Å |
| 77 | S | 98.6 | Very high | 98.4 | Very high | 50 Ų | 50 | 99.6 Ų | 99.6 | 35% | 0.35 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.9 | -37.4 | 176.7 | -179.5 | 0 | 0 | 0 | 0 | 112.7 | D73 E80 K81 | D73-S77 WeakPolarHBondContact O-CB 3.43Å; D73-S77 PolarHBondContact O-N 2.81Å; S77-E80 PolarHBondContact O-N 3.48Å; S77-K81 WeakPolarHBondContact O-CG 3.43Å; S77-K81 PolarHBondContact O-N 3.44Å; S77-K81 VanDerWaalsContact O-N 3.09Å |
| 78 | R | 98.6 | Very high | 98.3 | Very high | 120 Ų | 120 | 100.9 Ų | 100.9 | 45% | 0.453 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.9 | -44.7 | 172.6 | -81.8 | -176.9 | -89.4 | 157.8 | -13 | 111.6 | Q74 Q75 A76 K81 L82 | Q74-R78 WeakPolarHBondContact O-CB 3.5Å; Q74-R78 WeakPolarHBondContact O-CG 3.41Å; Q74-R78 PolarHBondContact O-N 2.88Å; Q74-R78 VanDerWaalsContact O-N 3.07Å; Q74-R78 PolarHBondContact O-NE 3.45Å; Q75-R78 PolarHBondContact O-N 2.89Å; Q75-R78 VanDerWaalsContact OE1-CZ 3.3Å; Q75-R78 VanDerWaalsContact OE1-NH1 3.11Å; A76-R78 VanDerWaalsContact C-N 3.33Å; A76-R78 PolarHBondContact O-N 2.84Å; R78-K81 PolarHBondContact O-N 3.29Å; R78-L82 WeakPolarHBondContact O-CG 3.38Å; R78-L82 PolarHBondContact O-N 3.21Å; R78-L82 VanDerWaalsContact O-N 3.1Å |
| 79 | M | 98.8 | Very high | 98.3 | Very high | 105 Ų | 105 | 99.5 Ų | 99.5 | 52% | 0.517 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.6 | -40 | 177.6 | -73 | -60 | -56.4 | 0 | 0 | 112.3 | Q75 A76 L82 A83 | Q75-M79 WeakPolarHBondContact O-CG 3.34Å; Q75-M79 PolarHBondContact O-N 3.48Å; A76-M79 WeakPolarHBondContact O-CB 3.34Å; A76-M79 PolarHBondContact O-N 3.28Å; A76-M79 VanDerWaalsContact O-N 3.14Å; M79-L82 PolarHBondContact O-N 2.86Å; M79-L82 HydrophobicContact SD-CD1 4.45Å; M79-A83 WeakPolarHBondContact O-CB 3.45Å; M79-A83 PolarHBondContact O-N 3.43Å |
| 80 | E | 98.4 | Very high | 98.1 | Very high | 140 Ų | 140 | 100.8 Ų | 100.8 | 65% | 0.654 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.9 | -45.7 | 176.3 | -175.9 | -179 | -171.6 | 0 | 0 | 111.6 | A76 S77 L82 A83 S84 | A76-E80 WeakPolarHBondContact O-CB 3.37Å; A76-E80 PolarHBondContact O-N 3.43Å; S77-E80 PolarHBondContact O-N 3.48Å; E80-L82 VanDerWaalsContact C-N 3.3Å; E80-L82 PolarHBondContact O-N 2.9Å; E80-A83 WeakPolarHBondContact O-CB 3.48Å; E80-A83 PolarHBondContact O-N 2.91Å; E80-A83 VanDerWaalsContact O-N 3.16Å; E80-S84 PolarHBondContact O-N 2.97Å |
| 81 | K | 98.4 | Very high | 98 | Very high | 139 Ų | 139 | 99.6 Ų | 99.6 | 60% | 0.604 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62 | -36.9 | 174.9 | -71.6 | 179.6 | -176.9 | -174.7 | 0 | 113.1 | S77 R78 S84 | S77-K81 WeakPolarHBondContact O-CG 3.43Å; S77-K81 PolarHBondContact O-N 3.44Å; S77-K81 VanDerWaalsContact O-N 3.09Å; R78-K81 PolarHBondContact O-N 3.29Å; K81-S84 PolarHBondContact O-OG 3.21Å |
| 82 | L | 98.5 | Very high | 98 | Very high | 106 Ų | 106 | 95.8 Ų | 95.8 | 56% | 0.555 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -70.2 | -37.7 | 175.3 | -69.3 | 175.4 | 0 | 0 | 0 | 111.3 | R78 M79 E80 S84 L85 | R78-L82 WeakPolarHBondContact O-CG 3.38Å; R78-L82 PolarHBondContact O-N 3.21Å; R78-L82 VanDerWaalsContact O-N 3.1Å; M79-L82 PolarHBondContact O-N 2.86Å; M79-L82 HydrophobicContact SD-CD1 4.45Å; E80-L82 VanDerWaalsContact C-N 3.3Å; E80-L82 PolarHBondContact O-N 2.9Å; L82-S84 VanDerWaalsContact C-N 3.32Å; L82-S84 PolarHBondContact O-N 2.94Å; L82-L85 HydrophobicContact CD2-CD1 3.93Å; L82-L85 WeakPolarHBondContact O-CB 3.46Å; L82-L85 PolarHBondContact O-N 3.23Å |
| 83 | A | 98.3 | Very high | 97.8 | Very high | 63 Ų | 63 | 96.8 Ų | 96.8 | 52% | 0.521 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.5 | -37.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | M79 E80 L85 V86 | M79-A83 WeakPolarHBondContact O-CB 3.45Å; M79-A83 PolarHBondContact O-N 3.43Å; E80-A83 WeakPolarHBondContact O-CB 3.48Å; E80-A83 PolarHBondContact O-N 2.91Å; E80-A83 VanDerWaalsContact O-N 3.16Å; A83-L85 PolarHBondContact O-N 2.91Å; A83-V86 WeakPolarHBondContact O-CB 3.27Å; A83-V86 WeakPolarHBondContact O-CG2 3.27Å; A83-V86 PolarHBondContact O-N 2.91Å; A83-V86 VanDerWaalsContact O-N 3.16Å |
| 84 | S | 96.9 | Very high | 97.7 | Very high | 68 Ų | 68 | 102.8 Ų | 102.8 | 48% | 0.476 | 53% | 0.525 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -16.3 | 176.2 | 62.1 | 0 | 0 | 0 | 0 | 114.2 | E80 K81 L82 V86 E87 | E80-S84 PolarHBondContact O-N 2.97Å; K81-S84 PolarHBondContact O-OG 3.21Å; L82-S84 VanDerWaalsContact C-N 3.32Å; L82-S84 PolarHBondContact O-N 2.94Å; S84-V86 PolarHBondContact O-N 2.84Å; S84-E87 PolarHBondContact O-N 2.75Å |
| 85 | L | 98.3 | Very high | 97.6 | Very high | 86 Ų | 86 | 104 Ų | 104 | 45% | 0.45 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.3 | -17.7 | 174.4 | -64.1 | 175.6 | 0 | 0 | 0 | 112.7 | L82 A83 E87 E88 L89 | L82-L85 HydrophobicContact CD2-CD1 3.93Å; L82-L85 WeakPolarHBondContact O-CB 3.46Å; L82-L85 PolarHBondContact O-N 3.23Å; A83-L85 PolarHBondContact O-N 2.91Å; L85-E87 VanDerWaalsContact C-N 3.35Å; L85-E88 PolarHBondContact O-N 3.46Å; L85-L89 WeakPolarHBondContact O-CB 3.39Å; L85-L89 PolarHBondContact O-N 2.82Å |
| 86 | V | 97.8 | Very high | 97.5 | Very high | 74 Ų | 74 | 106.8 Ų | 106.8 | 45% | 0.448 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.1 | -44 | 174 | 175.5 | 0 | 0 | 0 | 0 | 110.5 | A83 S84 E88 L89 E90 | A83-V86 WeakPolarHBondContact O-CB 3.27Å; A83-V86 WeakPolarHBondContact O-CG2 3.27Å; A83-V86 PolarHBondContact O-N 2.91Å; A83-V86 VanDerWaalsContact O-N 3.16Å; S84-V86 PolarHBondContact O-N 2.84Å; V86-E88 VanDerWaalsContact C-N 3.29Å; V86-E88 PolarHBondContact O-N 2.91Å; V86-L89 WeakPolarHBondContact O-CB 3.45Å; V86-L89 PolarHBondContact O-N 3.48Å; V86-L89 VanDerWaalsContact O-N 3.12Å; V86-E90 HydrophobicContact CG1-CG 4.49Å; V86-E90 WeakPolarHBondContact O-CG 3.4Å; V86-E90 PolarHBondContact O-N 2.94Å |
| 87 | E | 97.1 | Very high | 97.3 | Very high | 133 Ų | 133 | 109.9 Ų | 109.9 | 62% | 0.621 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.1 | -38.4 | 177.5 | -55.5 | -67.8 | 152.2 | 0 | 0 | 111.6 | S84 L85 A91 | S84-E87 PolarHBondContact O-N 2.75Å; L85-E87 VanDerWaalsContact C-N 3.35Å; E87-A91 WeakPolarHBondContact O-CB 3.42Å; E87-A91 PolarHBondContact O-N 3.4Å |
| 88 | E | 96.9 | Very high | 97.1 | Very high | 119 Ų | 119 | 110.6 Ų | 110.6 | 56% | 0.556 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -66.5 | -41.3 | 174.4 | -173.3 | 177.3 | 166.2 | 0 | 0 | 111.3 | L85 V86 A91 D92 | L85-E88 PolarHBondContact O-N 3.46Å; V86-E88 VanDerWaalsContact C-N 3.29Å; V86-E88 PolarHBondContact O-N 2.91Å; E88-A91 PolarHBondContact O-N 3.41Å; E88-D92 WeakPolarHBondContact O-CB 3.37Å; E88-D92 PolarHBondContact O-N 3.21Å |
| 89 | L | 97.3 | Very high | 97 | Very high | 124 Ų | 124 | 109.5 Ų | 109.5 | 65% | 0.649 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63.7 | -41.2 | 177.6 | -169.6 | 71.7 | 0 | 0 | 0 | 111.9 | L85 V86 D92 E93 | L85-L89 WeakPolarHBondContact O-CB 3.39Å; L85-L89 PolarHBondContact O-N 2.82Å; V86-L89 WeakPolarHBondContact O-CB 3.45Å; V86-L89 PolarHBondContact O-N 3.48Å; V86-L89 VanDerWaalsContact O-N 3.12Å; L89-D92 PolarHBondContact O-N 3.48Å; L89-E93 PolarHBondContact O-N 2.91Å; L89-E93 VanDerWaalsContact O-N 3.1Å |
| 90 | E | 95.8 | Very high | 96.9 | Very high | 120 Ų | 120 | 108.9 Ų | 108.9 | 56% | 0.561 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64.5 | -41.8 | 175 | -71.7 | 178.5 | -171.5 | 0 | 0 | 111.4 | V86 D92 E93 | V86-E90 HydrophobicContact CG1-CG 4.49Å; V86-E90 WeakPolarHBondContact O-CG 3.4Å; V86-E90 PolarHBondContact O-N 2.94Å; E90-D92 VanDerWaalsContact C-N 3.27Å; E90-D92 PolarHBondContact O-N 2.92Å; E90-E93 WeakPolarHBondContact O-CB 3.45Å; E90-E93 PolarHBondContact O-N 3.38Å |
| 91 | A | 96.9 | Very high | 96.8 | Very high | 66 Ų | 66 | 104.3 Ų | 104.3 | 55% | 0.545 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.3 | -31.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | E87 E88 W94 | E87-A91 WeakPolarHBondContact O-CB 3.42Å; E87-A91 PolarHBondContact O-N 3.4Å; E88-A91 PolarHBondContact O-N 3.41Å; A91-W94 PolarHBondContact O-NE1 2.97Å |
| 92 | D | 97.5 | Very high | 96.6 | Very high | 46 Ų | 46 | 103 Ų | 103 | 25% | 0.246 | 52% | 0.515 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 1.5 | -178.1 | -93.2 | 6.4 | 0 | 0 | 0 | 114.2 | E88 L89 E90 W94 R95 | E88-D92 WeakPolarHBondContact O-CB 3.37Å; E88-D92 PolarHBondContact O-N 3.21Å; L89-D92 PolarHBondContact O-N 3.48Å; E90-D92 VanDerWaalsContact C-N 3.27Å; E90-D92 PolarHBondContact O-N 2.92Å; D92-W94 PolarHBondContact O-N 3.1Å; D92-W94 VanDerWaalsContact O-N 3.15Å; D92-R95 VanDerWaalsContact O-CB 3.32Å; D92-R95 WeakPolarHBondContact O-CB 3.4Å; D92-R95 WeakPolarHBondContact O-CG 3.29Å; D92-R95 PolarHBondContact O-N 3.45Å; D92-R95 WeakPolarHBondContact OD1-CD 3.27Å; D92-R95 IonicContact OD1-NH1 3.9Å; D92-R95 IonicContact OD2-CZ 3.84Å; D92-R95 IonicContact OD2-NH1 2.76Å; D92-R95 PolarHBondContact OD2-NH1 3.43Å |
| 93 | E | 96 | Very high | 96.6 | Very high | 138 Ų | 138 | 103 Ų | 103 | 65% | 0.645 | 52% | 0.515 | S | S | * | . | G | 310 helix | trans | -54.7 | -39.7 | -175 | -173.5 | 176.5 | -156.3 | 0 | 0 | 112.6 | L89 E90 R95 Y96 | L89-E93 PolarHBondContact O-N 2.91Å; L89-E93 VanDerWaalsContact O-N 3.1Å; E90-E93 WeakPolarHBondContact O-CB 3.45Å; E90-E93 PolarHBondContact O-N 3.38Å; E93-R95 PolarHBondContact O-N 3.44Å; E93-Y96 PolarHBondContact O-N 2.73Å; E93-Y96 VanDerWaalsContact O-N 3.15Å |
| 94 | W | 95.8 | Very high | 96.5 | Very high | 207 Ų | 207 | 103 Ų | 103 | 78% | 0.784 | 52% | 0.52 | S | S | * | . | G | 310 helix | trans | -61.7 | -18.2 | -179.1 | 70.3 | -86.9 | 0 | 0 | 0 | 114.3 | A91 D92 Y96 | A91-W94 PolarHBondContact O-NE1 2.97Å; D92-W94 PolarHBondContact O-N 3.1Å; D92-W94 VanDerWaalsContact O-N 3.15Å; W94-Y96 VanDerWaalsContact C-N 3.31Å |
| 95 | R | 97.2 | Very high | 96.5 | Very high | 136 Ų | 136 | 107.2 Ų | 107.2 | 51% | 0.513 | 53% | 0.531 | S | S | . | . | G | 310 helix | trans | -79.5 | -17.1 | -178.3 | -59.6 | 175.9 | 64.9 | -164.3 | -2.3 | 112.5 | D92 E93 | D92-R95 VanDerWaalsContact O-CB 3.32Å; D92-R95 WeakPolarHBondContact O-CB 3.4Å; D92-R95 WeakPolarHBondContact O-CG 3.29Å; D92-R95 PolarHBondContact O-N 3.45Å; D92-R95 WeakPolarHBondContact OD1-CD 3.27Å; D92-R95 IonicContact OD1-NH1 3.9Å; D92-R95 IonicContact OD2-CZ 3.84Å; D92-R95 IonicContact OD2-NH1 2.76Å; D92-R95 PolarHBondContact OD2-NH1 3.43Å; E93-R95 PolarHBondContact O-N 3.44Å |
| 96 | Y | 94.8 | Very high | 96.3 | Very high | 147 Ų | 147 | 106.3 Ų | 106.3 | 58% | 0.576 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -120.9 | 162.9 | -170.9 | -58.8 | -75 | 0 | 0 | 0 | 111.6 | E93 W94 | E93-Y96 PolarHBondContact O-N 2.73Å; E93-Y96 VanDerWaalsContact O-N 3.15Å; W94-Y96 VanDerWaalsContact C-N 3.31Å |
| 97 | K | 95.5 | Very high | 95.9 | Very high | 120 Ų | 120 | 108.8 Ų | 108.8 | 52% | 0.522 | 55% | 0.546 | S | S | . | . | trans | -70.1 | 140.5 | 172.2 | -69.4 | -169 | 176.5 | -165.3 | 0 | 109.4 | L102 | K97-L102 HydrophobicContact CB-CD1 4.45Å; K97-L102 HydrophobicContact CB-CD2 3.97Å; K97-L102 HydrophobicContact CB-CG 4.06Å; K97-L102 HydrophobicContact CD-CD2 4.18Å | ||
| 98 | P | 94.9 | Very high | 95 | Very high | 66 Ų | 66 | 109.1 Ų | 109.1 | 43% | 0.429 | 56% | 0.563 | S | S | . | * | trans | -53.2 | 142.2 | 173.8 | -25.8 | 34.3 | 0 | 0 | 0 | 111.8 | E100 Q101 L102 | P98-E100 WeakPolarHBondContact CB-OE2 3.29Å; P98-E100 PolarHBondContact O-N 3.22Å; P98-Q101 PolarHBondContact O-N 3.32Å; P98-Q101 VanDerWaalsContact O-N 3.11Å; P98-L102 PolarHBondContact O-N 3.21Å | ||
| 99 | I | 95.6 | Very high | 94.9 | Very high | 97 Ų | 97 | 108.6 Ų | 108.6 | 50% | 0.497 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -61.7 | -31.8 | -175.2 | -170.3 | 61 | 0 | 0 | 0 | 111.5 | Q101 L102 L103 | I99-Q101 VanDerWaalsContact C-N 3.32Å; I99-Q101 PolarHBondContact O-N 3.29Å; I99-L102 HydrophobicContact CD1-CD1 4.48Å; I99-L102 PolarHBondContact O-N 3.48Å; I99-L103 HydrophobicContact CD1-CD1 4.29Å; I99-L103 HydrophobicContact CD1-CG 4.24Å; I99-L103 HydrophobicContact CG1-CD1 3.84Å; I99-L103 HydrophobicContact CG1-CG 4.21Å; I99-L103 WeakPolarHBondContact O-CB 3.19Å; I99-L103 VanDerWaalsContact O-CG 3.27Å; I99-L103 WeakPolarHBondContact O-CG 3.42Å; I99-L103 PolarHBondContact O-N 2.95Å |
| 100 | E | 96.7 | Very high | 94.8 | Very high | 91 Ų | 91 | 107.8 Ų | 107.8 | 43% | 0.425 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.3 | -38.9 | 178.3 | -59.8 | 75.8 | -165.9 | 0 | 0 | 111.9 | P98 L103 G104 F105 T106 | P98-E100 WeakPolarHBondContact CB-OE2 3.29Å; P98-E100 PolarHBondContact O-N 3.22Å; E100-L103 PolarHBondContact O-N 3.46Å; E100-G104 PolarHBondContact O-N 2.92Å; E100-F105 HydrophobicContact CB-CB 4.22Å; E100-F105 HydrophobicContact CB-CD2 4.5Å; E100-F105 PolarHBondContact O-N 3.01Å; E100-T106 HydrophobicContact CB-CG2 4.21Å; E100-T106 PolarHBondContact O-N 3.29Å |
| 101 | Q | 96.3 | Very high | 94.8 | Very high | 44 Ų | 44 | 107.1 Ų | 107.1 | 21% | 0.206 | 56% | 0.559 | C | S | . | * | H | α-helix | trans | -72.8 | -36.9 | 178.2 | -172.1 | -177.3 | -10.2 | 0 | 0 | 110.9 | P98 I99 L103 G104 T106 S108 | P98-Q101 PolarHBondContact O-N 3.32Å; P98-Q101 VanDerWaalsContact O-N 3.11Å; I99-Q101 VanDerWaalsContact C-N 3.32Å; I99-Q101 PolarHBondContact O-N 3.29Å; Q101-L103 VanDerWaalsContact C-N 3.33Å; Q101-G104 PolarHBondContact O-N 2.82Å; Q101-T106 WeakPolarHBondContact CA-OG1 3.49Å; Q101-T106 PolarHBondContact N-OG1 3.07Å; Q101-S108 VanDerWaalsContact NE2-CA 3.29Å; Q101-S108 VanDerWaalsContact NE2-CB 3.3Å; Q101-S108 PolarHBondContact NE2-OG 3.39Å; Q101-S108 PolarHBondContact NE2-OXT 2.82Å |
| 102 | L | 95.4 | Very high | 94.6 | Very high | 112 Ų | 112 | 109.5 Ų | 109.5 | 59% | 0.586 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -67.2 | -35.1 | 175.3 | -65.9 | 177 | 0 | 0 | 0 | 112.3 | K97 P98 I99 G104 | K97-L102 HydrophobicContact CB-CD1 4.45Å; K97-L102 HydrophobicContact CB-CD2 3.97Å; K97-L102 HydrophobicContact CB-CG 4.06Å; K97-L102 HydrophobicContact CD-CD2 4.18Å; P98-L102 PolarHBondContact O-N 3.21Å; I99-L102 HydrophobicContact CD1-CD1 4.48Å; I99-L102 PolarHBondContact O-N 3.48Å; L102-G104 VanDerWaalsContact C-N 3.31Å |
| 103 | L | 96.8 | Very high | 94.5 | Very high | 107 Ų | 107 | 113.5 Ų | 113.5 | 56% | 0.56 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | -2.9 | 176.7 | -63.7 | 177.8 | 0 | 0 | 0 | 113.3 | I99 E100 Q101 F105 | I99-L103 HydrophobicContact CD1-CD1 4.29Å; I99-L103 HydrophobicContact CD1-CG 4.24Å; I99-L103 HydrophobicContact CG1-CD1 3.84Å; I99-L103 HydrophobicContact CG1-CG 4.21Å; I99-L103 WeakPolarHBondContact O-CB 3.19Å; I99-L103 VanDerWaalsContact O-CG 3.27Å; I99-L103 WeakPolarHBondContact O-CG 3.42Å; I99-L103 PolarHBondContact O-N 2.95Å; E100-L103 PolarHBondContact O-N 3.46Å; Q101-L103 VanDerWaalsContact C-N 3.33Å; L103-F105 VanDerWaalsContact C-N 3.33Å; L103-F105 HydrophobicContact CB-CD2 3.8Å; L103-F105 HydrophobicContact CB-CE2 3.68Å; L103-F105 HydrophobicContact CB-CZ 4.36Å; L103-F105 HydrophobicContact CD1-CD2 4.37Å; L103-F105 HydrophobicContact CD1-CE2 3.74Å; L103-F105 HydrophobicContact CG-CE2 4.38Å; L103-F105 PolarHBondContact O-N 3.46Å |
| 104 | G | 96.1 | Very high | 94.4 | Very high | 61 Ų | 61 | 111.9 Ų | 111.9 | 63% | 0.629 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 75.3 | 17.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | E100 Q101 L102 T106 | E100-G104 PolarHBondContact O-N 2.92Å; Q101-G104 PolarHBondContact O-N 2.82Å; L102-G104 VanDerWaalsContact C-N 3.31Å; G104-T106 VanDerWaalsContact C-N 3.32Å |
| 105 | F | 96.9 | Very high | 94.3 | Very high | 158 Ų | 158 | 105.1 Ų | 105.1 | 69% | 0.693 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -73.6 | -27.1 | 172.6 | -62.7 | -48.9 | 0 | 0 | 0 | 112.2 | E100 L103 | E100-F105 HydrophobicContact CB-CB 4.22Å; E100-F105 HydrophobicContact CB-CD2 4.5Å; E100-F105 PolarHBondContact O-N 3.01Å; L103-F105 VanDerWaalsContact C-N 3.33Å; L103-F105 HydrophobicContact CB-CD2 3.8Å; L103-F105 HydrophobicContact CB-CE2 3.68Å; L103-F105 HydrophobicContact CB-CZ 4.36Å; L103-F105 HydrophobicContact CD1-CD2 4.37Å; L103-F105 HydrophobicContact CD1-CE2 3.74Å; L103-F105 HydrophobicContact CG-CE2 4.38Å; L103-F105 PolarHBondContact O-N 3.46Å |
| 106 | T | 94.8 | Very high | 94 | Very high | 67 Ų | 67 | 102.7 Ų | 102.7 | 41% | 0.411 | 56% | 0.563 | S | S | . | * | S | Bend | trans | -124.8 | 146 | 177.1 | 56.2 | 0 | 0 | 0 | 0 | 111.3 | E100 Q101 G104 | E100-T106 HydrophobicContact CB-CG2 4.21Å; E100-T106 PolarHBondContact O-N 3.29Å; Q101-T106 WeakPolarHBondContact CA-OG1 3.49Å; Q101-T106 PolarHBondContact N-OG1 3.07Å; G104-T106 VanDerWaalsContact C-N 3.32Å |
| 107 | P | 88.8 | Confident | 94 | Very high | 126 Ų | 126 | 99 Ų | 99 | 82% | 0.818 | 56% | 0.562 | S | S | * | * | trans | -67 | 151.5 | 173.2 | 28.7 | -33.4 | 0 | 0 | 0 | 111 | ||||
| 108 | S | 79.9 | Confident | 93.8 | Very high | 139 Ų | 139 | 97.1 Ų | 97.1 | 97% | 0.972 | 57% | 0.566 | S | S | * | * | trans | -83.2 | 0 | -176 | -179.5 | 0 | 0 | 0 | 0 | 114.6 | Q101 | Q101-S108 VanDerWaalsContact NE2-CA 3.29Å; Q101-S108 VanDerWaalsContact NE2-CB 3.3Å; Q101-S108 PolarHBondContact NE2-OG 3.39Å; Q101-S108 PolarHBondContact NE2-OXT 2.82Å |
Retrieved 108 of 108 residues in 26.1 ms
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