| 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 | 50.8 | Low | 49.9 | Very low | 237 Ų | 237 | 152.3 Ų | 152.3 | 100% | 1.167 | 84% | 0.842 | S | S | * | * | 0 | 109.2 | 0 | -73.6 | 146.1 | 92.5 | 0 | 0 | 107.6 | |||||
| 2 | N | 43.4 | Very low | 49.5 | Very low | 159 Ų | 159 | 149.1 Ų | 149.1 | 85% | 0.85 | 84% | 0.836 | S | S | * | * | trans | -171.3 | 93.1 | 149.6 | -94.4 | 0.9 | 0 | 0 | 0 | 106.1 | ||||
| 3 | S | 49.1 | Very low | 49 | Very low | 106 Ų | 106 | 150.5 Ų | 150.5 | 74% | 0.741 | 83% | 0.831 | S | S | * | * | trans | -66.8 | 118.2 | 179.2 | 46 | 0 | 0 | 0 | 0 | 110.6 | F5 | S3-F5 PolarHBondContact O-N 3.49Š| ||
| 4 | Y | 60 | Low | 48.7 | Very low | 226 Ų | 226 | 152.3 Ų | 152.3 | 89% | 0.886 | 84% | 0.838 | S | S | * | * | trans | -70.1 | 115.1 | 162.6 | -69.6 | -85.5 | 0 | 0 | 0 | 108.4 | A6 | Y4-A6 PolarHBondContact O-N 2.66Å; Y4-A6 VanDerWaalsContact O-N 3.08Å | ||
| 5 | F | 53.3 | Low | 48 | Very low | 200 Ų | 200 | 147.4 Ų | 147.4 | 88% | 0.877 | 83% | 0.825 | S | S | * | * | trans | -63.3 | 105.6 | 162.3 | -96.8 | -92.5 | 0 | 0 | 0 | 108 | S3 N7 | S3-F5 PolarHBondContact O-N 3.49Å; F5-N7 PolarHBondContact O-N 2.75Å | ||
| 6 | A | 56.1 | Low | 47.3 | Very low | 87 Ų | 87 | 143.5 Ų | 143.5 | 72% | 0.719 | 83% | 0.829 | S | S | * | * | trans | -67.2 | 119.1 | 164.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | Y4 P8 | Y4-A6 PolarHBondContact O-N 2.66Å; Y4-A6 VanDerWaalsContact O-N 3.08Å; A6-P8 WeakPolarHBondContact O-CD 3.41Å | ||
| 7 | N | 44.3 | Very low | 46.5 | Very low | 151 Ų | 151 | 140.1 Ų | 140.1 | 81% | 0.807 | 83% | 0.831 | S | S | * | * | trans | -63.3 | 123.7 | 165.7 | -92.9 | -61.9 | 0 | 0 | 0 | 108.6 | F5 S9 | F5-N7 PolarHBondContact O-N 2.75Å; N7-S9 VanDerWaalsContact C-N 3.3Å; N7-S9 PolarHBondContact O-N 2.76Å | ||
| 8 | P | 51.6 | Low | 46.1 | Very low | 122 Ų | 122 | 142.1 Ų | 142.1 | 79% | 0.792 | 83% | 0.831 | S | S | * | * | trans | -79 | 85.3 | 170.8 | 30.8 | -28.8 | 0 | 0 | 0 | 108.6 | A6 L10 | A6-P8 WeakPolarHBondContact O-CD 3.41Å; P8-L10 VanDerWaalsContact C-N 3.34Å; P8-L10 PolarHBondContact O-N 3.09Å | ||
| 9 | S | 48.9 | Very low | 45.7 | Very low | 104 Ų | 104 | 143.7 Ų | 143.7 | 73% | 0.727 | 83% | 0.83 | S | S | * | * | trans | -67.2 | 98.3 | 158.7 | 52.6 | 0 | 0 | 0 | 0 | 108.2 | N7 S11 | N7-S9 VanDerWaalsContact C-N 3.3Å; N7-S9 PolarHBondContact O-N 2.76Å; S9-S11 PolarHBondContact O-N 2.85Å | ||
| 10 | L | 49.5 | Very low | 45.5 | Very low | 161 Ų | 161 | 143.2 Ų | 143.2 | 84% | 0.843 | 83% | 0.829 | S | S | * | * | trans | 17.6 | 91.5 | 153.2 | -60.5 | 170.7 | 0 | 0 | 0 | 115.2 | P8 C12 | P8-L10 VanDerWaalsContact C-N 3.34Å; P8-L10 PolarHBondContact O-N 3.09Å; L10-C12 PolarHBondContact O-N 3.13Å | ||
| 11 | S | 42.5 | Very low | 45.4 | Very low | 122 Ų | 122 | 144 Ų | 144 | 85% | 0.853 | 83% | 0.829 | S | S | * | * | trans | -80.8 | 95.3 | 162.6 | -59.3 | 0 | 0 | 0 | 0 | 109.2 | S9 H13 | S9-S11 PolarHBondContact O-N 2.85Å; S11-H13 PolarHBondContact O-N 3.41Å | ||
| 12 | C | 44.8 | Very low | 45.4 | Very low | 114 Ų | 114 | 137.9 Ų | 137.9 | 77% | 0.77 | 81% | 0.807 | S | S | * | * | trans | -84.1 | 90.7 | 166.4 | -52 | 0 | 0 | 0 | 0 | 107.9 | L10 L14 | L10-C12 PolarHBondContact O-N 3.13Å; C12-L14 PolarHBondContact O-N 3.42Å | ||
| 13 | H | 42.3 | Very low | 45.6 | Very low | 167 Ų | 167 | 137.7 Ų | 137.7 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | trans | -79.4 | 113.7 | 176.9 | -157.5 | -83.1 | 0 | 0 | 0 | 109.3 | S11 | S11-H13 PolarHBondContact O-N 3.41Š| ||
| 14 | L | 45.6 | Very low | 45.3 | Very low | 176 Ų | 176 | 139.4 Ų | 139.4 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | trans | -81.5 | 115.2 | 160.7 | -110.6 | 87.2 | 0 | 0 | 0 | 107.6 | C12 | C12-L14 PolarHBondContact O-N 3.42Š| ||
| 15 | A | 37.7 | Very low | 44.6 | Very low | 79 Ų | 79 | 132.3 Ų | 132.3 | 65% | 0.653 | 80% | 0.8 | S | S | * | * | trans | -138.5 | 130.4 | 162.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 16 | G | 36.5 | Very low | 44 | Very low | 85 Ų | 85 | 130.8 Ų | 130.8 | 88% | 0.876 | 80% | 0.8 | S | S | * | * | trans | -74.2 | 164.8 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 17 | G | 34.1 | Very low | 43.1 | Very low | 85 Ų | 85 | 133.3 Ų | 133.3 | 88% | 0.876 | 80% | 0.801 | S | S | * | * | trans | 169.5 | 111.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 18 | Q | 38.5 | Very low | 42.9 | Very low | 177 Ų | 177 | 131.6 Ų | 131.6 | 83% | 0.827 | 80% | 0.801 | S | S | * | * | trans | -89.4 | 135 | -165.6 | 168.3 | 171 | -7 | 0 | 0 | 111.8 | ||||
| 19 | E | 38.8 | Very low | 42.4 | Very low | 173 Ų | 173 | 131.6 Ų | 131.6 | 81% | 0.808 | 80% | 0.799 | S | S | * | * | trans | -162.4 | 117.7 | 153.4 | -82.3 | -44.1 | 146.6 | 0 | 0 | 111.6 | ||||
| 20 | V | 42.3 | Very low | 42.2 | Very low | 132 Ų | 132 | 132.5 Ų | 132.5 | 80% | 0.8 | 80% | 0.801 | S | S | * | * | trans | 72.4 | 121.2 | 150.6 | -157.2 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 21 | L | 43.5 | Very low | 41.6 | Very low | 162 Ų | 162 | 135.4 Ų | 135.4 | 85% | 0.848 | 80% | 0.802 | S | S | * | * | trans | -63.8 | -178.5 | -174.9 | -66.4 | 170.8 | 0 | 0 | 0 | 117.7 | ||||
| 22 | P | 50.8 | Low | 41.6 | Very low | 108 Ų | 108 | 135.7 Ų | 135.7 | 70% | 0.701 | 79% | 0.794 | S | S | * | * | cis | -136 | 169 | -1.3 | 29 | -5.6 | 0 | 0 | 0 | 117.8 | ||||
| 23 | N | 47.3 | Very low | 41.9 | Very low | 154 Ų | 154 | 134.1 Ų | 134.1 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | trans | 79.7 | 85.9 | 146.3 | -114.4 | -35.9 | 0 | 0 | 0 | 120.6 | ||||
| 24 | V | 42 | Very low | 42.4 | Very low | 143 Ų | 143 | 130.7 Ų | 130.7 | 87% | 0.867 | 78% | 0.78 | S | S | * | * | trans | -146.6 | 130.2 | 137.6 | -175.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 25 | A | 45.6 | Very low | 42.5 | Very low | 77 Ų | 77 | 133.8 Ų | 133.8 | 64% | 0.636 | 78% | 0.779 | S | S | * | * | trans | -55.3 | 135 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | N27 | A25-N27 PolarHBondContact O-N 2.92Š| ||
| 26 | L | 42.4 | Very low | 42.7 | Very low | 167 Ų | 167 | 138.4 Ų | 138.4 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | trans | -74.3 | 105.9 | 169.7 | -73.3 | 167.6 | 0 | 0 | 0 | 109.3 | S28 | L26-S28 PolarHBondContact O-N 2.94Š| ||
| 27 | N | 36.7 | Very low | 42.9 | Very low | 140 Ų | 140 | 144.9 Ų | 144.9 | 75% | 0.749 | 79% | 0.787 | S | S | * | * | trans | -84.3 | 92.6 | 167.2 | -57.9 | -11.9 | 0 | 0 | 0 | 108.1 | A25 T29 | A25-N27 PolarHBondContact O-N 2.92Å; N27-T29 VanDerWaalsContact C-N 3.3Å; N27-T29 PolarHBondContact O-N 3.28Å | ||
| 28 | S | 38.9 | Very low | 43.2 | Very low | 115 Ų | 115 | 145.4 Ų | 145.4 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | -69.1 | 88.1 | 163.9 | -67.5 | 0 | 0 | 0 | 0 | 109.1 | L26 T30 | L26-S28 PolarHBondContact O-N 2.94Å; S28-T30 PolarHBondContact O-N 3.48Å | ||
| 29 | T | 42.5 | Very low | 43.7 | Very low | 123 Ų | 123 | 142 Ų | 142 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | trans | -89.3 | 96.3 | 167.1 | -59.8 | 0 | 0 | 0 | 0 | 108.4 | N27 Y31 | N27-T29 VanDerWaalsContact C-N 3.3Å; N27-T29 PolarHBondContact O-N 3.28Å; T29-Y31 PolarHBondContact O-N 3.03Å | ||
| 30 | T | 44.2 | Very low | 43.6 | Very low | 123 Ų | 123 | 145.3 Ų | 145.3 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | trans | -49.8 | 124.2 | 155.6 | 44.5 | 0 | 0 | 0 | 0 | 108.7 | S28 D32 | S28-T30 PolarHBondContact O-N 3.48Å; T30-D32 PolarHBondContact O-N 3.27Å | ||
| 31 | Y | 35.8 | Very low | 43.5 | Very low | 221 Ų | 221 | 143.1 Ų | 143.1 | 87% | 0.867 | 78% | 0.783 | S | S | * | * | trans | -61.5 | 103.4 | 178.8 | -160.9 | -94.2 | 0 | 0 | 0 | 109.6 | T29 | T29-Y31 PolarHBondContact O-N 3.03Š| ||
| 32 | D | 44 | Very low | 43.1 | Very low | 128 Ų | 128 | 140.2 Ų | 140.2 | 68% | 0.684 | 78% | 0.782 | S | S | * | * | trans | -90.9 | 113.9 | 172 | -171.9 | -5.2 | 0 | 0 | 0 | 108.5 | T30 V34 | T30-D32 PolarHBondContact O-N 3.27Å; D32-V34 VanDerWaalsContact C-N 3.31Å; D32-V34 PolarHBondContact O-N 2.99Å | ||
| 33 | A | 50.6 | Low | 42.7 | Very low | 81 Ų | 81 | 139.5 Ų | 139.5 | 67% | 0.669 | 79% | 0.786 | S | S | * | * | trans | -89.1 | 37 | -169.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 34 | V | 52.5 | Low | 42.5 | Very low | 96 Ų | 96 | 138.6 Ų | 138.6 | 58% | 0.582 | 79% | 0.786 | S | S | * | * | trans | -149.9 | 87.9 | 175.1 | -167.4 | 0 | 0 | 0 | 0 | 111.8 | D32 | D32-V34 VanDerWaalsContact C-N 3.31Å; D32-V34 PolarHBondContact O-N 2.99Å | ||
| 35 | R | 48.2 | Very low | 42.5 | Very low | 241 Ų | 241 | 136.7 Ų | 136.7 | 91% | 0.909 | 79% | 0.785 | S | S | * | * | trans | -126.9 | 105.5 | 159.7 | -76.4 | -75.8 | 177 | 152.7 | -2.1 | 110.3 | ||||
| 36 | H | 42.2 | Very low | 42.2 | Very low | 176 Ų | 176 | 140.8 Ų | 140.8 | 82% | 0.815 | 79% | 0.791 | S | S | * | * | trans | -34.8 | 128.1 | 162.6 | -75 | -109 | 0 | 0 | 0 | 113.4 | ||||
| 37 | Y | 39 | Very low | 42.4 | Very low | 221 Ų | 221 | 139.2 Ų | 139.2 | 87% | 0.867 | 78% | 0.783 | S | S | * | * | trans | -85.2 | 144.5 | 157.5 | -175.8 | -98.9 | 0 | 0 | 0 | 109.5 | ||||
| 38 | S | 42.3 | Very low | 42.9 | Very low | 96 Ų | 96 | 144.3 Ų | 144.3 | 67% | 0.671 | 79% | 0.792 | S | S | * | * | trans | 100.2 | 98 | 169.1 | -50.8 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 39 | S | 47.8 | Very low | 43.2 | Very low | 105 Ų | 105 | 146.3 Ų | 146.3 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | trans | -150.6 | 96.1 | 139.4 | -174.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 40 | Y | 37.3 | Very low | 43.1 | Very low | 243 Ų | 243 | 151 Ų | 151 | 95% | 0.953 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -161.6 | 108 | 142.5 | -81.4 | -67.8 | 0 | 0 | 0 | 107.9 | ||
| 41 | G | 38.8 | Very low | 43.3 | Very low | 85 Ų | 85 | 150.3 Ų | 150.3 | 88% | 0.876 | 80% | 0.798 | S | S | * | * | trans | 145.8 | 75.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 42 | A | 37.1 | Very low | 43.6 | Very low | 101 Ų | 101 | 145 Ų | 145 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | trans | -87.3 | 139 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 43 | A | 42.3 | Very low | 44.1 | Very low | 94 Ų | 94 | 144.1 Ų | 144.1 | 78% | 0.777 | 79% | 0.794 | S | S | * | * | trans | 61.4 | 135.8 | 158.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 44 | V | 42.2 | Very low | 43.8 | Very low | 135 Ų | 135 | 150 Ų | 150 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | cis | -158.7 | 127.8 | 43.8 | -161.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 45 | A | 41.7 | Very low | 43.4 | Very low | 103 Ų | 103 | 155.7 Ų | 155.7 | 85% | 0.851 | 82% | 0.817 | S | S | * | * | trans | -161.9 | 128.9 | 152.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 46 | Q | 39 | Very low | 43.6 | Very low | 162 Ų | 162 | 147.5 Ų | 147.5 | 76% | 0.757 | 80% | 0.797 | S | S | * | * | trans | -63.6 | 141.7 | -176.7 | -68.3 | -86 | -46.3 | 0 | 0 | 113.1 | ||||
| 47 | N | 47.4 | Very low | 43.8 | Very low | 135 Ų | 135 | 145 Ų | 145 | 72% | 0.722 | 80% | 0.797 | S | S | * | * | trans | 22.8 | 102.5 | 146.9 | -70.6 | -48.8 | 0 | 0 | 0 | 117.4 | ||||
| 48 | R | 46.2 | Very low | 44.1 | Very low | 246 Ų | 246 | 142 Ų | 142 | 93% | 0.928 | 79% | 0.79 | S | S | * | * | trans | -125.1 | 103.5 | 144.3 | -83 | -162 | -170.6 | 175.2 | 4.7 | 110.1 | Y50 | R48-Y50 PolarHBondContact O-N 3.33Å; R48-Y50 VanDerWaalsContact O-N 3.16Å | ||
| 49 | I | 45 | Very low | 43.9 | Very low | 158 Ų | 158 | 144.7 Ų | 144.7 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | trans | -57.9 | 104.7 | 159 | -59.5 | 160.3 | 0 | 0 | 0 | 106.7 | ||||
| 50 | Y | 40.9 | Very low | 43.9 | Very low | 221 Ų | 221 | 147.5 Ų | 147.5 | 87% | 0.867 | 80% | 0.804 | S | S | * | * | trans | -145.1 | 97.3 | 157.7 | -135.8 | -91.1 | 0 | 0 | 0 | 108.2 | R48 S52 | R48-Y50 PolarHBondContact O-N 3.33Å; R48-Y50 VanDerWaalsContact O-N 3.16Å; Y50-S52 PolarHBondContact O-N 3.34Å | ||
| 51 | S | 48.7 | Very low | 44.3 | Very low | 108 Ų | 108 | 141.1 Ų | 141.1 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 118.7 | 166.7 | -79.3 | 0 | 0 | 0 | 0 | 109.2 | P53 | S51-P53 WeakPolarHBondContact O-CD 3.5Š|
| 52 | S | 42.4 | Very low | 44.8 | Very low | 109 Ų | 109 | 143.4 Ų | 143.4 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -71 | 119.5 | 163.3 | 179.7 | 0 | 0 | 0 | 0 | 108.1 | Y50 F54 | Y50-S52 PolarHBondContact O-N 3.34Å; S52-F54 PolarHBondContact O-N 3.27Å |
| 53 | P | 55.3 | Low | 45 | Very low | 110 Ų | 110 | 147.4 Ų | 147.4 | 71% | 0.714 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 119.3 | 173.3 | 30 | -28.4 | 0 | 0 | 0 | 108.5 | S51 Y55 | S51-P53 WeakPolarHBondContact O-CD 3.5Å; P53-Y55 PolarHBondContact O-N 3.02Å |
| 54 | F | 43.9 | Very low | 44.8 | Very low | 204 Ų | 204 | 146 Ų | 146 | 90% | 0.895 | 78% | 0.781 | S | S | * | * | trans | -64.9 | 104.1 | 169.1 | -163.4 | -94.7 | 0 | 0 | 0 | 108.1 | S52 | S52-F54 PolarHBondContact O-N 3.27Š| ||
| 55 | Y | 43.8 | Very low | 44.6 | Very low | 216 Ų | 216 | 144.5 Ų | 144.5 | 85% | 0.847 | 78% | 0.776 | S | S | * | * | trans | -93.7 | 110.2 | 174.6 | -146.1 | -92.8 | 0 | 0 | 0 | 109.1 | P53 | P53-Y55 PolarHBondContact O-N 3.02Š| ||
| 56 | S | 51.2 | Low | 44.5 | Very low | 70 Ų | 70 | 145.4 Ų | 145.4 | 49% | 0.49 | 78% | 0.776 | S | S | . | * | trans | -74 | 132.4 | 168.6 | 177.6 | 0 | 0 | 0 | 0 | 109.4 | Q58 | S56-Q58 PolarHBondContact O-N 3.18Š| ||
| 57 | P | 47.5 | Very low | 45 | Very low | 123 Ų | 123 | 148.7 Ų | 148.7 | 80% | 0.799 | 78% | 0.782 | S | S | * | * | trans | -87.8 | 94.1 | 166.2 | 30.5 | -22.5 | 0 | 0 | 0 | 108.7 | ||||
| 58 | Q | 45.4 | Very low | 44.8 | Very low | 158 Ų | 158 | 145.3 Ų | 145.3 | 74% | 0.738 | 78% | 0.779 | S | S | * | * | trans | -110.7 | 108.6 | 153.6 | -71.7 | -77.3 | 14.6 | 0 | 0 | 105.2 | S56 | S56-Q58 PolarHBondContact O-N 3.18Š| ||
| 59 | D | 37.8 | Very low | 44.9 | Very low | 152 Ų | 152 | 139.9 Ų | 139.9 | 81% | 0.813 | 78% | 0.775 | S | S | * | * | trans | -171.7 | 115.3 | 142 | -88.7 | -29.5 | 0 | 0 | 0 | 109.6 | V61 | D59-V61 PolarHBondContact O-N 3.3Š| ||
| 60 | N | 48.9 | Very low | 44.5 | Very low | 164 Ų | 164 | 142.5 Ų | 142.5 | 88% | 0.877 | 78% | 0.776 | S | S | * | * | trans | -60 | 110.2 | 165.2 | -87.7 | -37.8 | 0 | 0 | 0 | 109.2 | ||||
| 61 | V | 45.2 | Very low | 44.4 | Very low | 109 Ų | 109 | 140 Ų | 140 | 66% | 0.661 | 77% | 0.773 | S | S | * | * | trans | -108.1 | 95.3 | 163.5 | -152.6 | 0 | 0 | 0 | 0 | 107.9 | D59 F63 | D59-V61 PolarHBondContact O-N 3.3Å; V61-F63 HydrophobicContact CG1-CD2 4.01Å; V61-F63 HydrophobicContact CG1-CE2 3.99Å; V61-F63 PolarHBondContact O-N 3.42Å | ||
| 62 | V | 48.1 | Very low | 44.1 | Very low | 134 Ų | 134 | 146 Ų | 146 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | trans | -68.4 | 98 | 166.9 | 167.3 | 0 | 0 | 0 | 0 | 107.4 | G64 | V62-G64 PolarHBondContact O-N 3Š| ||
| 63 | F | 42.8 | Very low | 43.9 | Very low | 184 Ų | 184 | 143 Ų | 143 | 81% | 0.807 | 77% | 0.767 | S | S | * | * | trans | -80.6 | 99.8 | 160.5 | -98.1 | -89.2 | 0 | 0 | 0 | 108 | V61 S65 | V61-F63 HydrophobicContact CG1-CD2 4.01Å; V61-F63 HydrophobicContact CG1-CE2 3.99Å; V61-F63 PolarHBondContact O-N 3.42Å; F63-S65 PolarHBondContact O-N 3.08Å | ||
| 64 | G | 37.8 | Very low | 43.1 | Very low | 65 Ų | 65 | 143 Ų | 143 | 67% | 0.67 | 77% | 0.769 | S | S | * | * | trans | -59.5 | 105.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | V62 S66 | V62-G64 PolarHBondContact O-N 3Å; G64-S66 PolarHBondContact O-N 3.49Å | ||
| 65 | S | 37.6 | Very low | 43.3 | Very low | 104 Ų | 104 | 140.9 Ų | 140.9 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | trans | -82.7 | 91.4 | 165.7 | -80.5 | 0 | 0 | 0 | 0 | 108.9 | F63 R67 | F63-S65 PolarHBondContact O-N 3.08Å; S65-R67 VanDerWaalsContact C-N 3.31Å; S65-R67 PolarHBondContact O-N 3.31Å | ||
| 66 | S | 40.4 | Very low | 43.2 | Very low | 121 Ų | 121 | 136.5 Ų | 136.5 | 85% | 0.846 | 76% | 0.763 | S | S | * | * | trans | -67.2 | 92.4 | 160.4 | -58.5 | 0 | 0 | 0 | 0 | 108.4 | G64 | G64-S66 PolarHBondContact O-N 3.49Š| ||
| 67 | R | 47.7 | Very low | 42.7 | Very low | 232 Ų | 232 | 141.5 Ų | 141.5 | 88% | 0.875 | 78% | 0.776 | S | S | * | * | trans | -90.5 | 96.5 | 163.7 | -71.2 | -168.6 | 178.8 | -156.9 | 0.9 | 108 | S65 | S65-R67 VanDerWaalsContact C-N 3.31Å; S65-R67 PolarHBondContact O-N 3.31Å | ||
| 68 | G | 44.9 | Very low | 42.7 | Very low | 64 Ų | 64 | 144.4 Ų | 144.4 | 66% | 0.66 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 148.3 | 161.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y70 | G68-Y70 PolarHBondContact O-N 3.42Š|
| 69 | P | 47.3 | Very low | 42.4 | Very low | 132 Ų | 132 | 145.1 Ų | 145.1 | 86% | 0.857 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 117.5 | 175.7 | 30.9 | -27.8 | 0 | 0 | 0 | 108.4 | ||
| 70 | Y | 37 | Very low | 42.4 | Very low | 212 Ų | 212 | 145.2 Ų | 145.2 | 83% | 0.831 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -93.7 | 118.1 | 171 | -168 | -103.7 | 0 | 0 | 0 | 108.8 | G68 | G68-Y70 PolarHBondContact O-N 3.42Š|
| 71 | E | 38.8 | Very low | 41.8 | Very low | 169 Ų | 169 | 144.8 Ų | 144.8 | 79% | 0.79 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 140.8 | 173.2 | -71.6 | 178.2 | 144.4 | 0 | 0 | 110.9 | G73 | E71-G73 PolarHBondContact O-N 2.97Š|
| 72 | Y | 41.6 | Very low | 41.6 | Very low | 234 Ų | 234 | 146.3 Ų | 146.3 | 92% | 0.918 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 116.9 | 174.1 | -176.8 | -95.5 | 0 | 0 | 0 | 109.8 | ||
| 73 | G | 39.6 | Very low | 41.3 | Very low | 46 Ų | 46 | 146.7 Ų | 146.7 | 47% | 0.474 | 77% | 0.773 | S | S | . | * | trans | -161.6 | 123.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | E71 | E71-G73 PolarHBondContact O-N 2.97Š| ||
| 74 | S | 38.8 | Very low | 41.1 | Very low | 110 Ų | 110 | 145.5 Ų | 145.5 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | trans | 82.8 | 99.9 | 155.9 | 70.4 | 0 | 0 | 0 | 0 | 119.1 | V76 | S74-V76 PolarHBondContact O-N 3.08Š| ||
| 75 | N | 47.4 | Very low | 42.1 | Very low | 159 Ų | 159 | 147.7 Ų | 147.7 | 85% | 0.85 | 78% | 0.777 | S | S | * | * | trans | -49.4 | 123.9 | 144.2 | -70.5 | -67.4 | 0 | 0 | 0 | 110.3 | ||||
| 76 | V | 41.4 | Very low | 41.9 | Very low | 125 Ų | 125 | 148.8 Ų | 148.8 | 76% | 0.758 | 79% | 0.785 | S | S | * | * | trans | -144.8 | 85 | 151.1 | -172.8 | 0 | 0 | 0 | 0 | 108 | S74 | S74-V76 PolarHBondContact O-N 3.08Š| ||
| 77 | F | 40.5 | Very low | 41.8 | Very low | 175 Ų | 175 | 148.6 Ų | 148.6 | 77% | 0.768 | 78% | 0.782 | S | S | * | * | trans | -96.2 | 117.7 | 164.8 | -159.3 | -120 | 0 | 0 | 0 | 106.9 | ||||
| 78 | Y | 47.2 | Very low | 41.5 | Very low | 183 Ų | 183 | 148.1 Ų | 148.1 | 72% | 0.718 | 78% | 0.78 | S | S | * | * | trans | 74.4 | 115.1 | 178.2 | -65.9 | -69.6 | 0 | 0 | 0 | 119.9 | ||||
| 79 | Q | 39.3 | Very low | 41.1 | Very low | 174 Ų | 174 | 153.6 Ų | 153.6 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | trans | -123.7 | 101.9 | 144.8 | -174.3 | 167.6 | 61 | 0 | 0 | 106.9 | ||||
| 80 | D | 37.3 | Very low | 40.5 | Very low | 153 Ų | 153 | 152.9 Ų | 152.9 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | -136 | 125.7 | 152.7 | -138.4 | -50.6 | 0 | 0 | 0 | 106.8 | ||||
| 81 | K | 37.5 | Very low | 40.8 | Very low | 155 Ų | 155 | 147.6 Ų | 147.6 | 67% | 0.674 | 78% | 0.781 | S | S | * | * | trans | -85.9 | 146.1 | 178.6 | -66 | -166.2 | 164.3 | -169.3 | 0 | 107.1 | ||||
| 82 | D | 40.4 | Very low | 40.8 | Very low | 142 Ų | 142 | 148.1 Ų | 148.1 | 76% | 0.759 | 79% | 0.788 | S | S | * | * | -174.1 | 158 | 73.7 | -78.7 | -56 | 0 | 0 | 0 | 110.7 | |||||
| 83 | V | 42.2 | Very low | 40.5 | Very low | 142 Ų | 142 | 140 Ų | 140 | 86% | 0.861 | 78% | 0.775 | S | S | * | * | trans | 84.3 | 112.3 | 158.8 | -155 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 84 | L | 39.1 | Very low | 40.5 | Very low | 159 Ų | 159 | 147.6 Ų | 147.6 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | trans | -71.5 | -163.6 | 171.7 | -67 | 165.2 | 0 | 0 | 0 | 113.3 | ||||
| 85 | P | 57.3 | Low | 40.2 | Very low | 110 Ų | 110 | 146.2 Ų | 146.2 | 71% | 0.714 | 80% | 0.802 | S | S | * | * | -133.6 | 151.7 | -69.2 | 39 | -22.3 | 0 | 0 | 0 | 113.9 | |||||
| 86 | S | 34.8 | Very low | 39.8 | Very low | 128 Ų | 128 | 143.4 Ų | 143.4 | 90% | 0.895 | 80% | 0.8 | S | S | * | * | trans | 175.2 | 147 | 155.8 | -113.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 87 | C | 38.8 | Very low | 39.7 | Very low | 117 Ų | 117 | 146.4 Ų | 146.4 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | cis | -161.5 | 156.8 | 13.3 | 172.5 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 88 | R | 40.4 | Very low | 39.6 | Very low | 221 Ų | 221 | 144.6 Ų | 144.6 | 83% | 0.834 | 81% | 0.81 | S | S | * | * | trans | -67.3 | 173.2 | 177.9 | -73.5 | -174.8 | 164.3 | -137.6 | 0.1 | 114.2 | ||||
| 89 | Q | 36.9 | Very low | 39.3 | Very low | 179 Ų | 179 | 141 Ų | 141 | 84% | 0.836 | 81% | 0.811 | S | S | * | * | trans | 87.2 | 130.9 | 154.4 | -87.2 | 167 | -6.4 | 0 | 0 | 116.2 | ||||
| 90 | S | 33.6 | Very low | 39.3 | Very low | 117 Ų | 117 | 139.7 Ų | 139.7 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | cis | -147.9 | 153.6 | 39.9 | -72.7 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 91 | S | 43.7 | Very low | 39.7 | Very low | 101 Ų | 101 | 138 Ų | 138 | 71% | 0.706 | 81% | 0.807 | S | S | * | * | trans | -89.2 | 147.3 | 173 | 50.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 92 | L | 38.9 | Very low | 39.9 | Very low | 180 Ų | 180 | 137.4 Ų | 137.4 | 94% | 0.942 | 81% | 0.806 | S | S | * | * | trans | 166.6 | 129.7 | 141 | -112.7 | 83.3 | 0 | 0 | 0 | 104.7 | ||||
| 93 | G | 34.4 | Very low | 39.8 | Very low | 63 Ų | 63 | 138 Ų | 138 | 65% | 0.649 | 81% | 0.809 | S | S | * | * | cis | 136 | 142.5 | 24.5 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 94 | Q | 41.1 | Very low | 39.9 | Very low | 207 Ų | 207 | 140.4 Ų | 140.4 | 97% | 0.967 | 80% | 0.804 | S | S | * | * | trans | 92.8 | 121.2 | -179.2 | -54.1 | 169.6 | 19.5 | 0 | 0 | 114.3 | ||||
| 95 | G | 31.8 | Very low | 40.4 | Very low | 81 Ų | 81 | 138.7 Ų | 138.7 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | cis | 113.5 | 83.8 | 14.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 96 | A | 38.1 | Very low | 39.9 | Very low | 99 Ų | 99 | 139.3 Ų | 139.3 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -157.5 | 111.4 | 160 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 97 | Q | 39.4 | Very low | 40.4 | Very low | 188 Ų | 188 | 140.5 Ų | 140.5 | 88% | 0.879 | 81% | 0.806 | S | S | * | * | trans | -70.5 | 130.6 | 170.4 | -68 | -82.8 | 13.1 | 0 | 0 | 109.5 | ||||
| 98 | T | 38.9 | Very low | 41.1 | Very low | 137 Ų | 137 | 140.7 Ų | 140.7 | 84% | 0.84 | 81% | 0.805 | S | S | * | * | trans | -138.6 | 105.1 | 155.3 | 58.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 99 | S | 41.9 | Very low | 41.2 | Very low | 107 Ų | 107 | 133.4 Ų | 133.4 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | trans | -70.9 | 132.1 | 170.1 | 48.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 100 | L | 37.9 | Very low | 41.3 | Very low | 148 Ų | 148 | 135.9 Ų | 135.9 | 78% | 0.775 | 80% | 0.801 | S | S | * | * | trans | -148.3 | 108.6 | 153.9 | -137.5 | 85.3 | 0 | 0 | 0 | 108 | ||||
| 101 | P | 46.1 | Very low | 41.6 | Very low | 118 Ų | 118 | 136.9 Ų | 136.9 | 77% | 0.766 | 80% | 0.797 | S | S | * | * | trans | -88.1 | 110.4 | 167.2 | 31.9 | -22.6 | 0 | 0 | 0 | 107.2 | ||||
| 102 | Q | 41 | Very low | 41.8 | Very low | 142 Ų | 142 | 136 Ų | 136 | 66% | 0.664 | 81% | 0.805 | S | S | * | * | trans | -99.5 | 100.4 | 168.9 | -163.6 | 110.6 | -6 | 0 | 0 | 107.5 | Y104 | Q102-Y104 HydrophobicContact CG-CD2 4.5Å; Q102-Y104 HydrophobicContact CG-CE2 4.25Å; Q102-Y104 PolarHBondContact O-N 2.84Å | ||
| 103 | D | 39.7 | Very low | 41.8 | Very low | 153 Ų | 153 | 133 Ų | 133 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -47.6 | 124.9 | 165 | -84.3 | -61.2 | 0 | 0 | 0 | 110.6 | ||||
| 104 | Y | 43.2 | Very low | 42.5 | Very low | 194 Ų | 194 | 138.8 Ų | 138.8 | 76% | 0.761 | 81% | 0.808 | S | S | * | * | trans | -122.6 | 126.6 | 158.9 | -94.9 | -83.3 | 0 | 0 | 0 | 108.3 | Q102 S106 | Q102-Y104 HydrophobicContact CG-CD2 4.5Å; Q102-Y104 HydrophobicContact CG-CE2 4.25Å; Q102-Y104 PolarHBondContact O-N 2.84Å; Y104-S106 PolarHBondContact O-N 3.06Å | ||
| 105 | P | 50.8 | Low | 43 | Very low | 122 Ų | 122 | 137.5 Ų | 137.5 | 79% | 0.792 | 80% | 0.802 | S | S | * | * | trans | -71.5 | 126.7 | 178 | 28.6 | -30.7 | 0 | 0 | 0 | 109.5 | D107 | P105-D107 PolarHBondContact O-N 2.67Š| ||
| 106 | S | 46.7 | Very low | 43.9 | Very low | 123 Ų | 123 | 142.6 Ų | 142.6 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | trans | -64.6 | 118.2 | 162.7 | -65.1 | 0 | 0 | 0 | 0 | 109.1 | Y104 | Y104-S106 PolarHBondContact O-N 3.06Š| ||
| 107 | D | 44.6 | Very low | 44.8 | Very low | 154 Ų | 154 | 147.5 Ų | 147.5 | 82% | 0.824 | 81% | 0.807 | S | S | * | * | trans | -120.3 | 125 | 163.2 | -146.8 | -7.5 | 0 | 0 | 0 | 108.4 | P105 | P105-D107 PolarHBondContact O-N 2.67Š| ||
| 108 | P | 54.4 | Low | 45.8 | Very low | 120 Ų | 120 | 141.5 Ų | 141.5 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | trans | -88.6 | 125.3 | -177.9 | 32.5 | -27.8 | 0 | 0 | 0 | 111 | ||||
| 109 | G | 42 | Very low | 47.1 | Very low | 69 Ų | 69 | 141.4 Ų | 141.4 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | trans | 97.8 | 112.2 | 151.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 110 | R | 39.4 | Very low | 48.8 | Very low | 231 Ų | 231 | 142.9 Ų | 142.9 | 87% | 0.872 | 79% | 0.788 | S | S | * | * | -176.6 | 126.5 | 121.1 | -107.2 | 173.1 | 170.2 | -164.5 | -2.1 | 111.6 | |||||
| 111 | N | 39.2 | Very low | 50.9 | Low | 138 Ų | 138 | 141.8 Ų | 141.8 | 74% | 0.738 | 78% | 0.779 | S | S | * | * | trans | 61.9 | 113.6 | 146.8 | -66.9 | -20.2 | 0 | 0 | 0 | 118.8 | S113 | N111-S113 PolarHBondContact O-N 2.86Š| ||
| 112 | G | 48 | Very low | 52.7 | Low | 83 Ų | 83 | 141.4 Ų | 141.4 | 86% | 0.856 | 77% | 0.769 | S | S | * | * | trans | -50.2 | 111.1 | 166.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q114 | G112-Q114 PolarHBondContact O-N 3.4Š| ||
| 113 | S | 39.3 | Very low | 54.9 | Low | 115 Ų | 115 | 140 Ų | 140 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | trans | -80.2 | 98 | 159.7 | -60.8 | 0 | 0 | 0 | 0 | 106 | N111 E115 | N111-S113 PolarHBondContact O-N 2.86Å; S113-E115 PolarHBondContact O-N 3.28Å | ||
| 114 | Q | 49.9 | Very low | 57.1 | Low | 185 Ų | 185 | 137.4 Ų | 137.4 | 86% | 0.864 | 75% | 0.753 | S | S | * | * | trans | -50.8 | 102.5 | 166.8 | -166.1 | 174.3 | 11.9 | 0 | 0 | 106.9 | G112 Q116 | G112-Q114 PolarHBondContact O-N 3.4Å; Q114-Q116 PolarHBondContact O-N 3.02Å | ||
| 115 | E | 51.6 | Low | 59.2 | Low | 181 Ų | 181 | 137.7 Ų | 137.7 | 85% | 0.846 | 75% | 0.752 | S | S | * | * | trans | -52.8 | 106.6 | 174.4 | -82.4 | -167.3 | 152.1 | 0 | 0 | 107.2 | S113 K117 | S113-E115 PolarHBondContact O-N 3.28Å; E115-K117 PolarHBondContact O-N 3.35Å | ||
| 116 | Q | 50.8 | Low | 60.9 | Low | 188 Ų | 188 | 135.3 Ų | 135.3 | 88% | 0.879 | 73% | 0.732 | S | S | * | * | trans | -63.6 | 91.5 | 167.4 | -75 | -175.4 | 1.7 | 0 | 0 | 105.6 | Q114 G118 | Q114-Q116 PolarHBondContact O-N 3.02Å; Q116-G118 VanDerWaalsContact C-N 3.26Å; Q116-G118 PolarHBondContact O-N 3.02Å | ||
| 117 | K | 56.8 | Low | 62.5 | Low | 202 Ų | 202 | 134.8 Ų | 134.8 | 88% | 0.878 | 72% | 0.716 | S | S | * | * | trans | -55.4 | 97.4 | 171.3 | -141.1 | 175.7 | -172.3 | 179.7 | 0 | 105.7 | E115 N119 | E115-K117 PolarHBondContact O-N 3.35Å; K117-N119 PolarHBondContact O-N 3.47Å | ||
| 118 | G | 59.9 | Low | 64.2 | Low | 61 Ų | 61 | 135 Ų | 135 | 63% | 0.629 | 71% | 0.705 | S | S | * | * | trans | -48.9 | 118.2 | -172.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | Q116 I120 | Q116-G118 VanDerWaalsContact C-N 3.26Å; Q116-G118 PolarHBondContact O-N 3.02Å; G118-I120 VanDerWaalsContact C-N 3.26Å; G118-I120 PolarHBondContact O-N 3.35Å | ||
| 119 | N | 66.6 | Low | 64.5 | Low | 135 Ų | 135 | 136.5 Ų | 136.5 | 72% | 0.722 | 70% | 0.703 | S | S | * | * | trans | -65.8 | 92.1 | 176.9 | -175 | -24.9 | 0 | 0 | 0 | 107.2 | K117 Q121 | K117-N119 PolarHBondContact O-N 3.47Å; N119-Q121 PolarHBondContact O-N 3.44Å; N119-Q121 PolarHBondContact O-NE2 3.12Å | ||
| 120 | I | 77.4 | Confident | 65.3 | Low | 139 Ų | 139 | 140.3 Ų | 140.3 | 71% | 0.713 | 71% | 0.707 | S | S | * | * | trans | -60 | 110.8 | -179.9 | -57 | 170.2 | 0 | 0 | 0 | 106.5 | G118 I122 | G118-I120 VanDerWaalsContact C-N 3.26Å; G118-I120 PolarHBondContact O-N 3.35Å; I120-I122 WeakPolarHBondContact O-CG1 3.4Å; I120-I122 PolarHBondContact O-N 2.81Å | ||
| 121 | Q | 82.6 | Confident | 66.1 | Low | 124 Ų | 124 | 133.2 Ų | 133.2 | 58% | 0.579 | 69% | 0.693 | S | S | * | * | trans | -64.8 | 106 | 178.5 | -62.9 | -60.7 | -57 | 0 | 0 | 108.9 | N119 F123 M126 | N119-Q121 PolarHBondContact O-N 3.44Å; N119-Q121 PolarHBondContact O-NE2 3.12Å; Q121-F123 HydrophobicContact CB-CZ 4.44Å; Q121-F123 PolarHBondContact O-N 3.08Å; Q121-M126 WeakPolarHBondContact O-CE 3.36Å | ||
| 122 | I | 83.8 | Confident | 66.6 | Low | 110 Ų | 110 | 135.2 Ų | 135.2 | 56% | 0.564 | 70% | 0.698 | S | S | * | * | trans | -83.8 | 96.8 | 177.9 | -54.7 | 179.9 | 0 | 0 | 0 | 109.1 | I120 M126 Q127 | I120-I122 WeakPolarHBondContact O-CG1 3.4Å; I120-I122 PolarHBondContact O-N 2.81Å; I122-M126 HydrophobicContact CG2-CB 4.07Å; I122-Q127 HydrophobicContact CG2-CG 3.77Å | ||
| 123 | F | 86.5 | Confident | 66.7 | Low | 113 Ų | 113 | 135.1 Ų | 135.1 | 50% | 0.496 | 68% | 0.684 | S | S | . | * | trans | -60.6 | 147.3 | 172.5 | -60.1 | -69.3 | 0 | 0 | 0 | 111.9 | Q121 W125 M126 Q127 | Q121-F123 HydrophobicContact CB-CZ 4.44Å; Q121-F123 PolarHBondContact O-N 3.08Å; F123-W125 VanDerWaalsContact CB-CD1 3.5Å; F123-W125 HydrophobicContact CB-CG 4.34Å; F123-W125 HydrophobicContact CD2-CZ2 4.36Å; F123-W125 AromaticContact CD2-NE1 3.93Å; F123-W125 AromaticContact CG-NE1 3.75Å; F123-W125 PolarHBondContact O-N 3.33Å; F123-M126 HydrophobicContact CB-CE 4.08Å; F123-M126 HydrophobicContact CB-CG 4.47Å; F123-M126 HydrophobicContact CD2-CE 3.47Å; F123-M126 VanDerWaalsContact CD2-CE 3.47Å; F123-M126 HydrophobicContact CD2-SD 4.37Å; F123-M126 HydrophobicContact CE2-CE 4.3Å; F123-M126 HydrophobicContact CG-CE 4.17Å; F123-M126 VanDerWaalsContact N-CE 3.32Å; F123-M126 WeakPolarHBondContact O-CA 3.34Å; F123-M126 WeakPolarHBondContact O-CB 3.42Å; F123-M126 PolarHBondContact O-N 3.23Å; F123-Q127 PolarHBondContact O-N 3.02Å | ||
| 124 | P | 85.2 | Confident | 67.4 | Low | 98 Ų | 98 | 133.9 Ų | 133.9 | 64% | 0.636 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -53.1 | -30.7 | -178.4 | -30 | 36.2 | 0 | 0 | 0 | 115.4 | Q127 | P124-Q127 WeakPolarHBondContact O-CB 3.46Å; P124-Q127 PolarHBondContact O-N 3.18Å |
| 125 | W | 87.2 | Confident | 67.4 | Low | 200 Ų | 200 | 131.1 Ų | 131.1 | 76% | 0.758 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -74.6 | -23 | 176.4 | 65.2 | -95.5 | 0 | 0 | 0 | 113.8 | F123 Q127 | F123-W125 VanDerWaalsContact CB-CD1 3.5Å; F123-W125 HydrophobicContact CB-CG 4.34Å; F123-W125 HydrophobicContact CD2-CZ2 4.36Å; F123-W125 AromaticContact CD2-NE1 3.93Å; F123-W125 AromaticContact CG-NE1 3.75Å; F123-W125 PolarHBondContact O-N 3.33Å; W125-Q127 VanDerWaalsContact C-N 3.28Å |
| 126 | M | 86.7 | Confident | 67.4 | Low | 73 Ų | 73 | 125 Ų | 125 | 36% | 0.36 | 67% | 0.67 | S | S | . | * | G | 310 helix | trans | -80.2 | -14.1 | 174.3 | -64.4 | -164.7 | -58.8 | 0 | 0 | 111.9 | Q121 I122 F123 R128 | Q121-M126 WeakPolarHBondContact O-CE 3.36Å; I122-M126 HydrophobicContact CG2-CB 4.07Å; F123-M126 HydrophobicContact CB-CE 4.08Å; F123-M126 HydrophobicContact CB-CG 4.47Å; F123-M126 HydrophobicContact CD2-CE 3.47Å; F123-M126 VanDerWaalsContact CD2-CE 3.47Å; F123-M126 HydrophobicContact CD2-SD 4.37Å; F123-M126 HydrophobicContact CE2-CE 4.3Å; F123-M126 HydrophobicContact CG-CE 4.17Å; F123-M126 VanDerWaalsContact N-CE 3.32Å; F123-M126 WeakPolarHBondContact O-CA 3.34Å; F123-M126 WeakPolarHBondContact O-CB 3.42Å; F123-M126 PolarHBondContact O-N 3.23Å; M126-R128 PolarHBondContact O-N 3.29Å |
| 127 | Q | 81.1 | Confident | 67.1 | Low | 112 Ų | 112 | 126.7 Ų | 126.7 | 52% | 0.523 | 67% | 0.67 | S | S | . | * | S | Bend | trans | -73.7 | 126.6 | 176.9 | -60.7 | 179.5 | -5.6 | 0 | 0 | 109.5 | I122 F123 P124 W125 M129 | I122-Q127 HydrophobicContact CG2-CG 3.77Å; F123-Q127 PolarHBondContact O-N 3.02Å; P124-Q127 WeakPolarHBondContact O-CB 3.46Å; P124-Q127 PolarHBondContact O-N 3.18Å; W125-Q127 VanDerWaalsContact C-N 3.28Å; Q127-M129 PolarHBondContact O-N 3.09Å |
| 128 | R | 79.1 | Confident | 66.6 | Low | 157 Ų | 157 | 120 Ų | 120 | 59% | 0.592 | 66% | 0.659 | S | S | * | * | trans | -70.5 | 100.6 | 175.6 | -60.6 | -169.3 | -145.3 | -171.3 | 7.1 | 108.9 | M126 N130 S131 | M126-R128 PolarHBondContact O-N 3.29Å; R128-N130 PolarHBondContact O-N 3.47Å; R128-S131 WeakPolarHBondContact CB-OG 3.33Å; R128-S131 PolarHBondContact O-N 2.99Å; R128-S131 VanDerWaalsContact O-N 3.17Å; R128-S131 PolarHBondContact O-OG 3.45Å | ||
| 129 | M | 60.6 | Low | 66.3 | Low | 152 Ų | 152 | 122.6 Ų | 122.6 | 75% | 0.749 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.4 | -7.2 | -173.7 | -58.7 | 168.9 | 77.7 | 0 | 0 | 115 | Q127 H132 | Q127-M129 PolarHBondContact O-N 3.09Å; M129-H132 PolarHBondContact O-ND1 3.43Å |
| 130 | N | 59.3 | Low | 65.6 | Low | 149 Ų | 149 | 123 Ų | 123 | 80% | 0.797 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.9 | 9.1 | 178.7 | -68.9 | 77.5 | 0 | 0 | 0 | 114.2 | R128 H132 | R128-N130 PolarHBondContact O-N 3.47Å; N130-H132 VanDerWaalsContact C-N 3.33Å; N130-H132 PolarHBondContact O-N 3.05Å |
| 131 | S | 55.8 | Low | 64.6 | Low | 83 Ų | 83 | 125.5 Ų | 125.5 | 58% | 0.58 | 67% | 0.67 | S | S | * | * | trans | -93.2 | 41.3 | -178.8 | -34 | 0 | 0 | 0 | 0 | 112.2 | R128 S133 | R128-S131 WeakPolarHBondContact CB-OG 3.33Å; R128-S131 PolarHBondContact O-N 2.99Å; R128-S131 VanDerWaalsContact O-N 3.17Å; R128-S131 PolarHBondContact O-OG 3.45Å; S131-S133 PolarHBondContact O-N 2.91Å; S131-S133 VanDerWaalsContact O-N 3.17Å | ||
| 132 | H | 49.7 | Very low | 63.6 | Low | 179 Ų | 179 | 128.2 Ų | 128.2 | 83% | 0.829 | 68% | 0.675 | S | S | * | * | trans | -87.6 | 44.7 | -179.6 | -85.1 | 87.4 | 0 | 0 | 0 | 113.3 | M129 N130 | M129-H132 PolarHBondContact O-ND1 3.43Å; N130-H132 VanDerWaalsContact C-N 3.33Å; N130-H132 PolarHBondContact O-N 3.05Å | ||
| 133 | S | 51 | Low | 63.2 | Low | 82 Ų | 82 | 134.5 Ų | 134.5 | 57% | 0.573 | 69% | 0.692 | S | S | * | * | trans | -157.6 | 96.5 | 164 | 57.9 | 0 | 0 | 0 | 0 | 109.5 | S131 V135 | S131-S133 PolarHBondContact O-N 2.91Å; S131-S133 VanDerWaalsContact O-N 3.17Å; S133-V135 PolarHBondContact O-N 3.25Å | ||
| 134 | G | 53.7 | Low | 62.9 | Low | 88 Ų | 88 | 132.6 Ų | 132.6 | 91% | 0.907 | 70% | 0.704 | S | S | * | * | trans | -69.2 | 74.2 | 164.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 135 | V | 49.6 | Very low | 63.1 | Low | 127 Ų | 127 | 137.8 Ų | 137.8 | 77% | 0.77 | 71% | 0.711 | S | S | * | * | trans | -141.1 | 127.1 | 158.9 | -176.6 | 0 | 0 | 0 | 0 | 105.6 | S133 | S133-V135 PolarHBondContact O-N 3.25Š| ||
| 136 | G | 52.3 | Low | 63.4 | Low | 53 Ų | 53 | 135.1 Ų | 135.1 | 55% | 0.546 | 71% | 0.706 | S | S | . | * | trans | -55.6 | 174.7 | -166 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 137 | Y | 43.4 | Very low | 63.8 | Low | 223 Ų | 223 | 138.1 Ų | 138.1 | 88% | 0.875 | 72% | 0.723 | S | S | * | * | trans | 88.3 | 104.1 | 178.8 | -54.1 | -78.3 | 0 | 0 | 0 | 116.1 | ||||
| 138 | G | 47.1 | Very low | 64.6 | Low | 63 Ų | 63 | 135.2 Ų | 135.2 | 65% | 0.649 | 71% | 0.707 | S | S | * | * | trans | 103.8 | 108.7 | 145.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | D140 | G138-D140 PolarHBondContact O-N 3.47Š| ||
| 139 | S | 54.1 | Low | 65.6 | Low | 115 Ų | 115 | 130.5 Ų | 130.5 | 80% | 0.804 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.2 | 27.2 | 171.6 | -178.7 | 0 | 0 | 0 | 0 | 115 | ||
| 140 | D | 52.4 | Low | 67.4 | Low | 142 Ų | 142 | 133 Ų | 133 | 76% | 0.759 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.7 | 19.6 | -167.8 | -129.4 | -20.4 | 0 | 0 | 0 | 115.9 | G138 R142 | G138-D140 PolarHBondContact O-N 3.47Å; D140-R142 PolarHBondContact O-N 3.45Å; D140-R142 VanDerWaalsContact O-N 3.15Å |
| 141 | R | 56 | Low | 69.2 | Low | 193 Ų | 193 | 132.4 Ų | 132.4 | 73% | 0.728 | 69% | 0.687 | S | S | * | * | trans | -82.4 | 25.6 | 173.4 | -60.7 | -167.3 | -167.9 | -120.9 | 5.8 | 113.9 | R143 | R141-R143 VanDerWaalsContact C-N 3.34Å; R141-R143 PolarHBondContact O-N 3.18Å | ||
| 142 | R | 61.3 | Low | 71.3 | Confident | 181 Ų | 181 | 130 Ų | 130 | 68% | 0.683 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -72.2 | 99.8 | 160.1 | -68.4 | -149 | -179.7 | -141.1 | 1.5 | 105.9 | D140 G144 | D140-R142 PolarHBondContact O-N 3.45Å; D140-R142 VanDerWaalsContact O-N 3.15Å; R142-G144 PolarHBondContact O-N 3.44Å |
| 143 | R | 74.6 | Confident | 73.6 | Confident | 242 Ų | 242 | 123.6 Ų | 123.6 | 91% | 0.913 | 64% | 0.64 | S | S | * | * | trans | -48.2 | 104.8 | 173.2 | -69 | 175.6 | -178.5 | -172.6 | -1.2 | 107.8 | R141 R145 | R141-R143 VanDerWaalsContact C-N 3.34Å; R141-R143 PolarHBondContact O-N 3.18Å; R143-R145 PolarHBondContact O-N 2.85Å | ||
| 144 | G | 80 | Confident | 75.9 | Confident | 72 Ų | 72 | 123.5 Ų | 123.5 | 74% | 0.742 | 63% | 0.633 | S | S | * | * | trans | -56.1 | 135 | -177 | 0 | 0 | 0 | 0 | 0 | 109.4 | R142 Q146 | R142-G144 PolarHBondContact O-N 3.44Å; G144-Q146 PolarHBondContact O-N 2.97Å | ||
| 145 | R | 89.9 | Confident | 78 | Confident | 208 Ų | 208 | 121.5 Ų | 121.5 | 79% | 0.785 | 60% | 0.6 | S | S | * | * | trans | -74 | 113.6 | 177.2 | -172 | -179.1 | -130.3 | -88.1 | 4.3 | 108.1 | R143 I147 | R143-R145 PolarHBondContact O-N 2.85Å; R145-I147 PolarHBondContact O-N 3.02Å | ||
| 146 | Q | 93.3 | Very high | 80.3 | Confident | 143 Ų | 143 | 115.5 Ų | 115.5 | 67% | 0.668 | 56% | 0.563 | S | S | * | * | P | Polyproline II helix | trans | -65 | 133.6 | 169.6 | -173.9 | 59 | 38.2 | 0 | 0 | 110 | G144 | G144-Q146 PolarHBondContact O-N 2.97Š|
| 147 | I | 96 | Very high | 82.5 | Confident | 137 Ų | 137 | 116.5 Ų | 116.5 | 70% | 0.703 | 55% | 0.554 | S | S | * | * | P | Polyproline II helix | trans | -94.9 | 139.4 | 173.7 | -55.1 | 177.4 | 0 | 0 | 0 | 108.5 | R145 | R145-I147 PolarHBondContact O-N 3.02Š|
| 148 | Y | 98.2 | Very high | 85.2 | Confident | 51 Ų | 51 | 110.9 Ų | 110.9 | 20% | 0.2 | 53% | 0.534 | C | S | . | . | P | Polyproline II helix | trans | -77.7 | 144.3 | 174.3 | -58.6 | -44.4 | 0 | 0 | 0 | 110.6 | Q152 L180 W188 | Y148-Q152 VanDerWaalsContact CA-OE1 3.32Å; Y148-L180 HydrophobicContact CD1-CD1 4.15Å; Y148-L180 HydrophobicContact CD1-CD2 3.86Å; Y148-L180 HydrophobicContact CE1-CD1 4.08Å; Y148-L180 HydrophobicContact CE1-CD2 3.66Å; Y148-W188 AromaticContact CD2-CD1 3.87Å; Y148-W188 AromaticContact CE2-CD1 3.65Å |
| 149 | S | 98.5 | Very high | 87.6 | Confident | 57 Ų | 57 | 108.6 Ų | 108.6 | 40% | 0.399 | 51% | 0.506 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 164 | 175.4 | 79.1 | 0 | 0 | 0 | 0 | 111.2 | Y151 Q152 T153 | S149-Y151 VanDerWaalsContact C-N 3.3Å; S149-Y151 PolarHBondContact O-N 3.04Å; S149-Q152 PolarHBondContact O-N 3.07Å; S149-Q152 WeakPolarHBondContact OG-CG 3.33Å; S149-Q152 PolarHBondContact OG-N 3.09Å; S149-T153 PolarHBondContact O-N 3.37Å; S149-T153 PolarHBondContact O-OG1 2.96Å |
| 150 | R | 98.4 | Very high | 89.7 | Confident | 206 Ų | 206 | 103.1 Ų | 103.1 | 78% | 0.777 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -57.5 | -45.4 | 174.9 | -174.4 | 173.2 | -177.4 | -107.6 | 0.5 | 111.3 | T153 L154 | R150-T153 PolarHBondContact O-N 3.19Å; R150-L154 HydrophobicContact CG-CD1 4.1Å; R150-L154 HydrophobicContact CG-CG 4.49Å; R150-L154 WeakPolarHBondContact O-CG 3.48Å; R150-L154 PolarHBondContact O-N 2.56Å |
| 151 | Y | 98.5 | Very high | 91.9 | Very high | 135 Ų | 135 | 101.8 Ų | 101.8 | 53% | 0.529 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -58.6 | -48.8 | 177.1 | 173.6 | -105.1 | 0 | 0 | 0 | 112.1 | S149 T153 L154 E155 L178 | S149-Y151 VanDerWaalsContact C-N 3.3Å; S149-Y151 PolarHBondContact O-N 3.04Å; Y151-T153 VanDerWaalsContact C-N 3.29Å; Y151-T153 PolarHBondContact O-N 2.89Å; Y151-L154 PolarHBondContact O-N 3.43Å; Y151-E155 HydrophobicContact CD2-CG 4.22Å; Y151-E155 HydrophobicContact CE1-CG 4.24Å; Y151-E155 HydrophobicContact CE2-CG 3.73Å; Y151-E155 PolarHBondContact O-N 2.79Å; Y151-L178 HydrophobicContact CD1-CD2 4.2Å; Y151-L178 HydrophobicContact CE1-CD2 3.64Å |
| 152 | Q | 98.6 | Very high | 93.9 | Very high | 32 Ų | 32 | 100.7 Ų | 100.7 | 15% | 0.15 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -58.1 | -43.3 | 177.6 | -72.4 | 173.6 | -30.6 | 0 | 0 | 111.7 | Y148 S149 L156 L178 | Y148-Q152 VanDerWaalsContact CA-OE1 3.32Å; S149-Q152 PolarHBondContact O-N 3.07Å; S149-Q152 WeakPolarHBondContact OG-CG 3.33Å; S149-Q152 PolarHBondContact OG-N 3.09Å; Q152-L156 WeakPolarHBondContact O-CB 3.14Å; Q152-L156 WeakPolarHBondContact O-CD1 3.36Å; Q152-L156 WeakPolarHBondContact O-CG 3.43Å; Q152-L156 PolarHBondContact O-N 3.18Å; Q152-L156 VanDerWaalsContact O-N 3.08Å; Q152-L178 HydrophobicContact CG-CB 4.32Å; Q152-L178 PolarHBondContact NE2-O 2.82Å |
| 153 | T | 98.5 | Very high | 95.6 | Very high | 45 Ų | 45 | 95.4 Ų | 95.4 | 28% | 0.276 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -64.8 | -45 | -180 | -55.2 | 0 | 0 | 0 | 0 | 111.6 | S149 R150 Y151 L156 E157 | S149-T153 PolarHBondContact O-N 3.37Å; S149-T153 PolarHBondContact O-OG1 2.96Å; R150-T153 PolarHBondContact O-N 3.19Å; Y151-T153 VanDerWaalsContact C-N 3.29Å; Y151-T153 PolarHBondContact O-N 2.89Å; T153-L156 PolarHBondContact O-N 3.49Å; T153-E157 WeakPolarHBondContact O-CG 3.48Å; T153-E157 PolarHBondContact O-N 2.92Å |
| 154 | L | 98.5 | Very high | 96.7 | Very high | 80 Ų | 80 | 87.7 Ų | 87.7 | 42% | 0.419 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62.8 | -44.2 | 179.3 | -71.4 | 172.8 | 0 | 0 | 0 | 112.2 | R150 Y151 L156 E157 K158 | R150-L154 HydrophobicContact CG-CD1 4.1Å; R150-L154 HydrophobicContact CG-CG 4.49Å; R150-L154 WeakPolarHBondContact O-CG 3.48Å; R150-L154 PolarHBondContact O-N 2.56Å; Y151-L154 PolarHBondContact O-N 3.43Å; L154-L156 VanDerWaalsContact C-N 3.34Å; L154-L156 PolarHBondContact O-N 3.23Å; L154-E157 PolarHBondContact O-N 3.32Å; L154-K158 WeakPolarHBondContact O-CB 3.43Å; L154-K158 PolarHBondContact O-N 3.37Å |
| 155 | E | 98.6 | Very high | 97.6 | Very high | 47 Ų | 47 | 91.1 Ų | 91.1 | 22% | 0.22 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -64.7 | -39.7 | 177.8 | -74.1 | -65.2 | 113.3 | 0 | 0 | 111.9 | Y151 K158 E159 L178 | Y151-E155 HydrophobicContact CD2-CG 4.22Å; Y151-E155 HydrophobicContact CE1-CG 4.24Å; Y151-E155 HydrophobicContact CE2-CG 3.73Å; Y151-E155 PolarHBondContact O-N 2.79Å; E155-K158 PolarHBondContact O-N 3.1Å; E155-K158 IonicContact OE1-NZ 2.75Å; E155-K158 PolarHBondContact OE1-NZ 3.33Å; E155-K158 WeakPolarHBondContact OE2-CE 3.44Å; E155-K158 IonicContact OE2-NZ 2.66Å; E155-K158 PolarHBondContact OE2-NZ 3.44Å; E155-E159 WeakPolarHBondContact O-CG 3.38Å; E155-E159 PolarHBondContact O-N 2.8Å; E155-L178 HydrophobicContact CB-CD1 4Å; E155-L178 HydrophobicContact CB-CD2 3.68Å; E155-L178 HydrophobicContact CB-CG 4.42Å; E155-L178 HydrophobicContact CG-CD2 3.9Å |
| 156 | L | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 82.5 Ų | 82.5 | 0% | 0 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -64.6 | -39.5 | 174.7 | -70.7 | 166.4 | 0 | 0 | 0 | 112.3 | Q152 T153 L154 F160 I174 L178 L180 I185 W188 F189 | Q152-L156 WeakPolarHBondContact O-CB 3.14Å; Q152-L156 WeakPolarHBondContact O-CD1 3.36Å; Q152-L156 WeakPolarHBondContact O-CG 3.43Å; Q152-L156 PolarHBondContact O-N 3.18Å; Q152-L156 VanDerWaalsContact O-N 3.08Å; T153-L156 PolarHBondContact O-N 3.49Å; L154-L156 VanDerWaalsContact C-N 3.34Å; L154-L156 PolarHBondContact O-N 3.23Å; L156-F160 WeakPolarHBondContact O-CB 3.05Å; L156-F160 PolarHBondContact O-N 3.36Å; L156-I174 HydrophobicContact CD2-CG2 4.26Å; L156-L178 HydrophobicContact CD1-CD1 4.49Å; L156-L178 HydrophobicContact CD2-CD1 3.99Å; L156-L178 HydrophobicContact CG-CD1 3.8Å; L156-L180 HydrophobicContact CD1-CD1 4.32Å; L156-I185 HydrophobicContact CD2-CD1 3.77Å; L156-W188 VanDerWaalsContact C-CH2 3.47Å; L156-W188 HydrophobicContact CB-CD2 3.89Å; L156-W188 HydrophobicContact CB-CE3 3.89Å; L156-W188 HydrophobicContact CB-CH2 3.6Å; L156-W188 HydrophobicContact CB-CZ2 3.56Å; L156-W188 HydrophobicContact CB-CZ3 3.76Å; L156-W188 HydrophobicContact CD1-CD2 3.86Å; L156-W188 HydrophobicContact CD1-CG 3.82Å; L156-W188 HydrophobicContact CD1-CZ2 4.49Å; L156-W188 HydrophobicContact CD2-CD2 4.32Å; L156-W188 HydrophobicContact CD2-CE3 4.25Å; L156-W188 HydrophobicContact CG-CD2 4.25Å; L156-W188 HydrophobicContact CG-CE3 4.46Å; L156-W188 WeakPolarHBondContact O-CH2 3.33Å; L156-W188 WeakPolarHBondContact O-CZ3 3.39Å; L156-F189 HydrophobicContact CD2-CE2 4.05Å |
| 157 | E | 98.6 | Very high | 98.3 | Very high | 75 Ų | 75 | 79.9 Ų | 79.9 | 35% | 0.35 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -66.4 | -45.3 | 174.9 | -74.7 | -173.7 | 174.4 | 0 | 0 | 111.8 | T153 L154 E159 F160 H161 W188 | T153-E157 WeakPolarHBondContact O-CG 3.48Å; T153-E157 PolarHBondContact O-N 2.92Å; L154-E157 PolarHBondContact O-N 3.32Å; E157-E159 VanDerWaalsContact C-N 3.34Å; E157-E159 PolarHBondContact O-N 3.01Å; E157-F160 WeakPolarHBondContact O-CB 3.16Å; E157-F160 PolarHBondContact O-N 2.7Å; E157-F160 VanDerWaalsContact O-N 3.13Å; E157-H161 PolarHBondContact O-CD2 3.22Å; E157-H161 PolarHBondContact O-N 3.47Å; E157-W188 HydrophobicContact CG-CH2 3.96Å; E157-W188 HydrophobicContact CG-CZ2 4.02Å |
| 158 | K | 98.5 | Very high | 98.4 | Very high | 105 Ų | 105 | 80.1 Ų | 80.1 | 46% | 0.457 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -54.3 | -50.5 | 174.7 | -175.4 | -174.6 | 74.1 | -167.2 | 0 | 111.1 | L154 E155 F160 H161 F162 | L154-K158 WeakPolarHBondContact O-CB 3.43Å; L154-K158 PolarHBondContact O-N 3.37Å; E155-K158 PolarHBondContact O-N 3.1Å; E155-K158 IonicContact OE1-NZ 2.75Å; E155-K158 PolarHBondContact OE1-NZ 3.33Å; E155-K158 WeakPolarHBondContact OE2-CE 3.44Å; E155-K158 IonicContact OE2-NZ 2.66Å; E155-K158 PolarHBondContact OE2-NZ 3.44Å; K158-F160 VanDerWaalsContact C-N 3.32Å; K158-F160 PolarHBondContact O-N 2.88Å; K158-H161 PolarHBondContact O-N 2.99Å; K158-F162 PolarHBondContact O-N 3.36Å; K158-F162 VanDerWaalsContact O-N 3.08Å |
| 159 | E | 98.4 | Very high | 98.4 | Very high | 15 Ų | 15 | 86.5 Ų | 86.5 | 7% | 0.07 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -63.3 | -37.8 | 177.9 | -72.1 | -63.2 | 135.3 | 0 | 0 | 112.4 | E155 E157 F162 N163 R170 I174 F189 | E155-E159 WeakPolarHBondContact O-CG 3.38Å; E155-E159 PolarHBondContact O-N 2.8Å; E157-E159 VanDerWaalsContact C-N 3.34Å; E157-E159 PolarHBondContact O-N 3.01Å; E159-F162 PolarHBondContact O-N 3.28Å; E159-N163 PolarHBondContact O-N 3.22Å; E159-R170 IonicContact OE1-CZ 3.68Å; E159-R170 IonicContact OE1-NE 3.95Å; E159-R170 IonicContact OE1-NH2 2.67Å; E159-R170 PolarHBondContact OE1-NH2 3.08Å; E159-R170 IonicContact OE2-CZ 3.37Å; E159-R170 IonicContact OE2-NE 2.86Å; E159-R170 PolarHBondContact OE2-NE 3.26Å; E159-R170 IonicContact OE2-NH2 3.06Å; E159-R170 PolarHBondContact OE2-NH2 3.21Å; E159-I174 HydrophobicContact CB-CD1 4.05Å; E159-I174 HydrophobicContact CG-CD1 3.65Å; E159-I174 HydrophobicContact CG-CG1 4.08Å; E159-F189 HydrophobicContact CB-CZ 4.03Å |
| 160 | F | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 87.8 Ų | 87.8 | 0% | 0 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -64.3 | -41.3 | 176.2 | -174.9 | -103.4 | 0 | 0 | 0 | 111.9 | L156 E157 K158 F162 N163 R164 W188 F189 R192 R193 W196 | L156-F160 WeakPolarHBondContact O-CB 3.05Å; L156-F160 PolarHBondContact O-N 3.36Å; E157-F160 WeakPolarHBondContact O-CB 3.16Å; E157-F160 PolarHBondContact O-N 2.7Å; E157-F160 VanDerWaalsContact O-N 3.13Å; K158-F160 VanDerWaalsContact C-N 3.32Å; K158-F160 PolarHBondContact O-N 2.88Å; F160-F162 VanDerWaalsContact C-N 3.32Å; F160-F162 PolarHBondContact O-N 2.85Å; F160-N163 CarbonylContact O-C 3.23Å; F160-N163 VanDerWaalsContact O-C 3.23Å; F160-N163 PolarHBondContact O-N 3.42Å; F160-R164 HydrophobicContact CE2-CB 4.02Å; F160-R164 HydrophobicContact CE2-CG 4.48Å; F160-R164 HydrophobicContact CZ-CB 4.3Å; F160-R164 HydrophobicContact CZ-CG 4.36Å; F160-R164 WeakPolarHBondContact O-CD 3.45Å; F160-R164 PolarHBondContact O-N 2.94Å; F160-R164 PolarHBondContact O-NE 3.46Å; F160-W188 HydrophobicContact CB-CH2 4.41Å; F160-W188 HydrophobicContact CB-CZ3 4.12Å; F160-F189 HydrophobicContact CB-CE1 4.23Å; F160-F189 HydrophobicContact CB-CZ 4.38Å; F160-F189 AromaticContact CD2-CD1 3.97Å; F160-F189 HydrophobicContact CD2-CD1 3.97Å; F160-F189 AromaticContact CD2-CE1 3.91Å; F160-F189 HydrophobicContact CD2-CE1 3.91Å; F160-R192 HydrophobicContact CB-CG 4.4Å; F160-R192 HydrophobicContact CD1-CG 3.67Å; F160-R192 HydrophobicContact CD2-CB 4.29Å; F160-R192 HydrophobicContact CD2-CG 3.63Å; F160-R192 HydrophobicContact CE1-CG 3.71Å; F160-R192 HydrophobicContact CE2-CB 4.25Å; F160-R192 HydrophobicContact CE2-CG 3.69Å; F160-R192 HydrophobicContact CG-CG 3.62Å; F160-R192 HydrophobicContact CZ-CG 3.72Å; F160-R193 HydrophobicContact CE2-CG 3.76Å; F160-R193 HydrophobicContact CZ-CG 4.23Å; F160-W196 HydrophobicContact CE1-CB 4.29Å; F160-W196 HydrophobicContact CE1-CG 4.38Å; F160-W196 HydrophobicContact CZ-CB 4.11Å; F160-W196 HydrophobicContact CZ-CG 4.35Å |
| 161 | H | 98.1 | Very high | 98.4 | Very high | 113 Ų | 113 | 80.7 Ų | 80.7 | 52% | 0.523 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.6 | -42.2 | 175.3 | -78.1 | -68.5 | 0 | 0 | 0 | 111.7 | E157 K158 | E157-H161 PolarHBondContact O-CD2 3.22Å; E157-H161 PolarHBondContact O-N 3.47Å; K158-H161 PolarHBondContact O-N 2.99Å |
| 162 | F | 98.2 | Very high | 98.4 | Very high | 170 Ų | 170 | 77.2 Ų | 77.2 | 75% | 0.746 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -62.8 | -49.8 | 174.9 | -179.4 | -103.2 | 0 | 0 | 0 | 112.3 | K158 E159 F160 | K158-F162 PolarHBondContact O-N 3.36Å; K158-F162 VanDerWaalsContact O-N 3.08Å; E159-F162 PolarHBondContact O-N 3.28Å; F160-F162 VanDerWaalsContact C-N 3.32Å; F160-F162 PolarHBondContact O-N 2.85Å |
| 163 | N | 97.3 | Very high | 98.4 | Very high | 71 Ų | 71 | 78.7 Ų | 78.7 | 38% | 0.38 | 35% | 0.351 | S | S | . | . | trans | -147.5 | 124 | 176.2 | -169.1 | -13.3 | 0 | 0 | 0 | 111.7 | E159 F160 Y165 | E159-N163 PolarHBondContact O-N 3.22Å; F160-N163 CarbonylContact O-C 3.23Å; F160-N163 VanDerWaalsContact O-C 3.23Å; F160-N163 PolarHBondContact O-N 3.42Å; N163-Y165 PolarHBondContact ND2-O 2.93Å; N163-Y165 PolarHBondContact O-N 3.27Å; N163-Y165 PolarHBondContact OD1-N 3.44Å; N163-Y165 PolarHBondContact OD1-O 3.34Å | ||
| 164 | R | 97.9 | Very high | 98.4 | Very high | 79 Ų | 79 | 77 Ų | 77 | 30% | 0.298 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -69.3 | -14.3 | -179 | -50.4 | -60.3 | 156.4 | 103.3 | 3.8 | 113.4 | F160 | F160-R164 HydrophobicContact CE2-CB 4.02Å; F160-R164 HydrophobicContact CE2-CG 4.48Å; F160-R164 HydrophobicContact CZ-CB 4.3Å; F160-R164 HydrophobicContact CZ-CG 4.36Å; F160-R164 WeakPolarHBondContact O-CD 3.45Å; F160-R164 PolarHBondContact O-N 2.94Å; F160-R164 PolarHBondContact O-NE 3.46Å |
| 165 | Y | 98.3 | Very high | 98.4 | Very high | 145 Ų | 145 | 73.3 Ų | 73.3 | 57% | 0.569 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -133.2 | 130.6 | -178.7 | -63.1 | -100.3 | 0 | 0 | 0 | 110.4 | N163 | N163-Y165 PolarHBondContact ND2-O 2.93Å; N163-Y165 PolarHBondContact O-N 3.27Å; N163-Y165 PolarHBondContact OD1-N 3.44Å; N163-Y165 PolarHBondContact OD1-O 3.34Å |
| 166 | L | 98.3 | Very high | 98.4 | Very high | 27 Ų | 27 | 76.8 Ų | 76.8 | 14% | 0.141 | 34% | 0.341 | C | S | . | . | trans | -95.3 | 136.2 | 178.6 | -63.6 | -179.2 | 0 | 0 | 0 | 112.3 | R170 I174 I185 F189 | L166-R170 HydrophobicContact CD2-CG 3.91Å; L166-I174 HydrophobicContact CD1-CD1 3.88Å; L166-I174 HydrophobicContact CD2-CD1 3.86Å; L166-I185 HydrophobicContact CD1-CG2 3.54Å; L166-F189 HydrophobicContact CD1-CD1 4.13Å; L166-F189 HydrophobicContact CD1-CD2 3.62Å; L166-F189 HydrophobicContact CD1-CE1 3.92Å; L166-F189 HydrophobicContact CD1-CE2 3.41Å; L166-F189 VanDerWaalsContact CD1-CE2 3.41Å; L166-F189 HydrophobicContact CD1-CG 3.99Å; L166-F189 HydrophobicContact CD1-CZ 3.56Å; L166-F189 HydrophobicContact CD2-CE1 3.78Å; L166-F189 HydrophobicContact CD2-CE2 4.45Å; L166-F189 HydrophobicContact CD2-CZ 3.74Å; L166-F189 HydrophobicContact CG-CD1 3.79Å; L166-F189 HydrophobicContact CG-CD2 4.22Å; L166-F189 HydrophobicContact CG-CE1 3.51Å; L166-F189 HydrophobicContact CG-CE2 3.99Å; L166-F189 HydrophobicContact CG-CG 4.14Å; L166-F189 HydrophobicContact CG-CZ 3.63Å | ||
| 167 | T | 98.6 | Very high | 98.4 | Very high | 87 Ų | 87 | 80 Ų | 80 | 53% | 0.534 | 37% | 0.367 | S | S | . | . | trans | -70 | 167.3 | 163.5 | 66.1 | 0 | 0 | 0 | 0 | 111.1 | R170 R171 | T167-R170 PolarHBondContact OG1-N 3.24Å; T167-R171 WeakPolarHBondContact O-CB 3.39Å; T167-R171 PolarHBondContact O-N 3.45Å | ||
| 168 | R | 98.4 | Very high | 98.4 | Very high | 143 Ų | 143 | 76.8 Ų | 76.8 | 54% | 0.54 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -58.3 | -47.4 | 176.4 | -177.9 | 84 | -169.6 | 81.5 | -9.9 | 111.4 | R171 I172 E182 | R168-R171 PolarHBondContact O-N 3.14Å; R168-I172 VanDerWaalsContact NH1-CG1 3.3Å; R168-I172 WeakPolarHBondContact O-CG1 3.44Å; R168-I172 PolarHBondContact O-N 3.45Å; R168-E182 IonicContact CZ-OE1 3.47Å; R168-E182 IonicContact CZ-OE2 3.47Å; R168-E182 VanDerWaalsContact NH1-CD 3.27Å; R168-E182 IonicContact NH1-OE1 3.23Å; R168-E182 PolarHBondContact NH1-OE1 3.42Å; R168-E182 IonicContact NH1-OE2 2.56Å; R168-E182 PolarHBondContact NH1-OE2 3.25Å; R168-E182 IonicContact NH2-OE1 2.79Å; R168-E182 PolarHBondContact NH2-OE1 3.03Å; R168-E182 IonicContact NH2-OE2 3.59Å |
| 169 | R | 98.4 | Very high | 98.4 | Very high | 185 Ų | 185 | 77.3 Ų | 77.3 | 70% | 0.698 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -63.8 | -51.5 | -177.5 | -164 | -170.5 | 80.3 | 176.2 | -10.2 | 111.4 | R171 I172 E173 | R169-R171 PolarHBondContact O-N 3.32Å; R169-I172 WeakPolarHBondContact O-CB 3.41Å; R169-I172 PolarHBondContact O-N 3.24Å; R169-E173 WeakPolarHBondContact CG-OE1 3.38Å; R169-E173 IonicContact CZ-OE1 3.74Å; R169-E173 IonicContact NE-OE1 3.88Å; R169-E173 PolarHBondContact NE-OE1 3Å; R169-E173 IonicContact NH2-OE1 2.81Å; R169-E173 PolarHBondContact O-N 3Å |
| 170 | R | 98.6 | Very high | 98.4 | Very high | 84 Ų | 84 | 77.5 Ų | 77.5 | 32% | 0.317 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -60.4 | -35.2 | -178.7 | -172.8 | 55.6 | 175.8 | 177.7 | -1.6 | 112.6 | E159 L166 T167 I172 E173 I174 | E159-R170 IonicContact OE1-CZ 3.68Å; E159-R170 IonicContact OE1-NE 3.95Å; E159-R170 IonicContact OE1-NH2 2.67Å; E159-R170 PolarHBondContact OE1-NH2 3.08Å; E159-R170 IonicContact OE2-CZ 3.37Å; E159-R170 IonicContact OE2-NE 2.86Å; E159-R170 PolarHBondContact OE2-NE 3.26Å; E159-R170 IonicContact OE2-NH2 3.06Å; E159-R170 PolarHBondContact OE2-NH2 3.21Å; L166-R170 HydrophobicContact CD2-CG 3.91Å; T167-R170 PolarHBondContact OG1-N 3.24Å; R170-I172 VanDerWaalsContact C-N 3.33Å; R170-I172 PolarHBondContact O-N 3.45Å; R170-E173 WeakPolarHBondContact CD-OE2 3.47Å; R170-E173 IonicContact CZ-OE2 3.71Å; R170-E173 IonicContact NE-OE2 3.89Å; R170-E173 IonicContact NH1-OE2 2.76Å; R170-E173 PolarHBondContact NH1-OE2 2.97Å; R170-E173 PolarHBondContact O-N 2.98Å; R170-I174 HydrophobicContact CG-CD1 3.86Å; R170-I174 HydrophobicContact CG-CG1 4.45Å; R170-I174 WeakPolarHBondContact O-CG1 3.38Å; R170-I174 PolarHBondContact O-N 3.03Å; R170-I174 VanDerWaalsContact O-N 3.08Å |
| 171 | R | 98.6 | Very high | 98.3 | Very high | 56 Ų | 56 | 81.3 Ų | 81.3 | 21% | 0.211 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -60.5 | -40.9 | 175.2 | -171.1 | -174.9 | -49.9 | 174 | 8.9 | 112.9 | T167 R168 R169 A175 E182 I185 | T167-R171 WeakPolarHBondContact O-CB 3.39Å; T167-R171 PolarHBondContact O-N 3.45Å; R168-R171 PolarHBondContact O-N 3.14Å; R169-R171 PolarHBondContact O-N 3.32Å; R171-A175 WeakPolarHBondContact O-CB 3.24Å; R171-A175 PolarHBondContact O-N 3.38Å; R171-E182 HydrophobicContact CG-CB 4.49Å; R171-I185 HydrophobicContact CG-CB 4.11Å; R171-I185 HydrophobicContact CG-CG2 3.94Å |
| 172 | I | 98.7 | Very high | 98.4 | Very high | 62 Ų | 62 | 78.8 Ų | 78.8 | 32% | 0.318 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -66.1 | -45.8 | 178.2 | -61.3 | 163.6 | 0 | 0 | 0 | 109.7 | R168 R169 R170 I174 A175 N176 E182 | R168-I172 VanDerWaalsContact NH1-CG1 3.3Å; R168-I172 WeakPolarHBondContact O-CG1 3.44Å; R168-I172 PolarHBondContact O-N 3.45Å; R169-I172 WeakPolarHBondContact O-CB 3.41Å; R169-I172 PolarHBondContact O-N 3.24Å; R170-I172 VanDerWaalsContact C-N 3.33Å; R170-I172 PolarHBondContact O-N 3.45Å; I172-I174 PolarHBondContact O-N 3.25Å; I172-A175 PolarHBondContact O-N 3.12Å; I172-N176 PolarHBondContact O-N 3.28Å; I172-N176 PolarHBondContact O-ND2 3.42Å; I172-E182 WeakPolarHBondContact CG1-OE2 3.28Å |
| 173 | E | 98.6 | Very high | 98.4 | Very high | 64 Ų | 64 | 79.3 Ų | 79.3 | 30% | 0.299 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -56 | -50.1 | 178.9 | -65 | 164.4 | -157.3 | 0 | 0 | 111.5 | R169 R170 N176 A177 | R169-E173 WeakPolarHBondContact CG-OE1 3.38Å; R169-E173 IonicContact CZ-OE1 3.74Å; R169-E173 IonicContact NE-OE1 3.88Å; R169-E173 PolarHBondContact NE-OE1 3Å; R169-E173 IonicContact NH2-OE1 2.81Å; R169-E173 PolarHBondContact O-N 3Å; R170-E173 WeakPolarHBondContact CD-OE2 3.47Å; R170-E173 IonicContact CZ-OE2 3.71Å; R170-E173 IonicContact NE-OE2 3.89Å; R170-E173 IonicContact NH1-OE2 2.76Å; R170-E173 PolarHBondContact NH1-OE2 2.97Å; R170-E173 PolarHBondContact O-N 2.98Å; E173-N176 PolarHBondContact O-N 3.5Å; E173-A177 WeakPolarHBondContact O-CB 3.44Å; E173-A177 PolarHBondContact O-N 3.06Å; E173-A177 VanDerWaalsContact O-N 3.09Å |
| 174 | I | 98.5 | Very high | 98.4 | Very high | 9 Ų | 9 | 78.5 Ų | 78.5 | 5% | 0.046 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -67.8 | -40.7 | 179.9 | -61.5 | 163.4 | 0 | 0 | 0 | 111.4 | L156 E159 L166 R170 I172 N176 A177 L178 I185 | L156-I174 HydrophobicContact CD2-CG2 4.26Å; E159-I174 HydrophobicContact CB-CD1 4.05Å; E159-I174 HydrophobicContact CG-CD1 3.65Å; E159-I174 HydrophobicContact CG-CG1 4.08Å; L166-I174 HydrophobicContact CD1-CD1 3.88Å; L166-I174 HydrophobicContact CD2-CD1 3.86Å; R170-I174 HydrophobicContact CG-CD1 3.86Å; R170-I174 HydrophobicContact CG-CG1 4.45Å; R170-I174 WeakPolarHBondContact O-CG1 3.38Å; R170-I174 PolarHBondContact O-N 3.03Å; R170-I174 VanDerWaalsContact O-N 3.08Å; I172-I174 PolarHBondContact O-N 3.25Å; I174-N176 VanDerWaalsContact C-N 3.3Å; I174-N176 PolarHBondContact O-N 2.87Å; I174-A177 PolarHBondContact O-N 3.24Å; I174-L178 HydrophobicContact CG2-CD1 3.7Å; I174-L178 HydrophobicContact CG2-CG 4.18Å; I174-L178 WeakPolarHBondContact O-CB 3.44Å; I174-L178 WeakPolarHBondContact O-CG 3.49Å; I174-L178 PolarHBondContact O-N 2.88Å; I174-I185 HydrophobicContact CG2-CD1 3.97Å |
| 175 | A | 98.6 | Very high | 98.4 | Very high | 3 Ų | 3 | 74.8 Ų | 74.8 | 3% | 0.025 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -56.1 | -46.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | R171 I172 C179 L180 E182 I185 | R171-A175 WeakPolarHBondContact O-CB 3.24Å; R171-A175 PolarHBondContact O-N 3.38Å; I172-A175 PolarHBondContact O-N 3.12Å; A175-C179 PolarHBondContact O-N 3.39Å; A175-C179 VanDerWaalsContact O-N 3.12Å; A175-L180 CarbonylContact C-O 3.45Å; A175-L180 WeakPolarHBondContact CA-O 3.18Å; A175-L180 VanDerWaalsContact CB-O 3.24Å; A175-L180 WeakPolarHBondContact CB-O 3.47Å; A175-L180 PolarHBondContact O-N 3.37Å; A175-L180 VanDerWaalsContact O-O 3.09Å; A175-E182 HydrophobicContact CB-CG 4.22Å; A175-I185 HydrophobicContact CB-CG1 4.03Å |
| 176 | N | 98.5 | Very high | 98.5 | Very high | 120 Ų | 120 | 73.6 Ų | 73.6 | 64% | 0.642 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -66.7 | -43.8 | 178.2 | -66.7 | -16.7 | 0 | 0 | 0 | 111.9 | I172 E173 I174 L178 C179 | I172-N176 PolarHBondContact O-N 3.28Å; I172-N176 PolarHBondContact O-ND2 3.42Å; E173-N176 PolarHBondContact O-N 3.5Å; I174-N176 VanDerWaalsContact C-N 3.3Å; I174-N176 PolarHBondContact O-N 2.87Å; N176-L178 VanDerWaalsContact C-N 3.3Å; N176-L178 PolarHBondContact O-N 3.27Å; N176-C179 PolarHBondContact O-N 2.95Å |
| 177 | A | 98.3 | Very high | 98.5 | Very high | 67 Ų | 67 | 74.6 Ų | 74.6 | 55% | 0.554 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -64.7 | -30.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | E173 I174 | E173-A177 WeakPolarHBondContact O-CB 3.44Å; E173-A177 PolarHBondContact O-N 3.06Å; E173-A177 VanDerWaalsContact O-N 3.09Å; I174-A177 PolarHBondContact O-N 3.24Å |
| 178 | L | 98.3 | Very high | 98.5 | Very high | 7 Ų | 7 | 72 Ų | 72 | 4% | 0.037 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -102.7 | 1.1 | -176.2 | -60.6 | -174.1 | 0 | 0 | 0 | 114.1 | Y151 Q152 E155 L156 I174 N176 L180 | Y151-L178 HydrophobicContact CD1-CD2 4.2Å; Y151-L178 HydrophobicContact CE1-CD2 3.64Å; Q152-L178 HydrophobicContact CG-CB 4.32Å; Q152-L178 PolarHBondContact NE2-O 2.82Å; E155-L178 HydrophobicContact CB-CD1 4Å; E155-L178 HydrophobicContact CB-CD2 3.68Å; E155-L178 HydrophobicContact CB-CG 4.42Å; E155-L178 HydrophobicContact CG-CD2 3.9Å; L156-L178 HydrophobicContact CD1-CD1 4.49Å; L156-L178 HydrophobicContact CD2-CD1 3.99Å; L156-L178 HydrophobicContact CG-CD1 3.8Å; I174-L178 HydrophobicContact CG2-CD1 3.7Å; I174-L178 HydrophobicContact CG2-CG 4.18Å; I174-L178 WeakPolarHBondContact O-CB 3.44Å; I174-L178 WeakPolarHBondContact O-CG 3.49Å; I174-L178 PolarHBondContact O-N 2.88Å; N176-L178 VanDerWaalsContact C-N 3.3Å; N176-L178 PolarHBondContact O-N 3.27Å; L178-L180 HydrophobicContact CB-CD1 4.22Å; L178-L180 HydrophobicContact CB-CG 4.19Å; L178-L180 PolarHBondContact O-N 3.48Å |
| 179 | C | 98.4 | Very high | 98.5 | Very high | 117 Ų | 117 | 65.6 Ų | 65.6 | 79% | 0.791 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | 43.2 | -172.5 | -59.3 | 0 | 0 | 0 | 0 | 112.4 | A175 N176 | A175-C179 PolarHBondContact O-N 3.39Å; A175-C179 VanDerWaalsContact O-N 3.12Å; N176-C179 PolarHBondContact O-N 2.95Å |
| 180 | L | 98.1 | Very high | 98.5 | Very high | 19 Ų | 19 | 61.7 Ų | 61.7 | 10% | 0.099 | 31% | 0.307 | C | S | . | . | trans | -118.6 | 151.9 | 176.7 | -67.1 | 178.8 | 0 | 0 | 0 | 109.8 | Y148 L156 A175 L178 Q184 I185 | Y148-L180 HydrophobicContact CD1-CD1 4.15Å; Y148-L180 HydrophobicContact CD1-CD2 3.86Å; Y148-L180 HydrophobicContact CE1-CD1 4.08Å; Y148-L180 HydrophobicContact CE1-CD2 3.66Å; L156-L180 HydrophobicContact CD1-CD1 4.32Å; A175-L180 CarbonylContact C-O 3.45Å; A175-L180 WeakPolarHBondContact CA-O 3.18Å; A175-L180 VanDerWaalsContact CB-O 3.24Å; A175-L180 WeakPolarHBondContact CB-O 3.47Å; A175-L180 PolarHBondContact O-N 3.37Å; A175-L180 VanDerWaalsContact O-O 3.09Å; L178-L180 HydrophobicContact CB-CD1 4.22Å; L178-L180 HydrophobicContact CB-CG 4.19Å; L178-L180 PolarHBondContact O-N 3.48Å; L180-Q184 HydrophobicContact CB-CB 4.43Å; L180-I185 HydrophobicContact CB-CD1 3.91Å; L180-I185 HydrophobicContact CB-CG1 4.44Å; L180-I185 HydrophobicContact CD1-CD1 3.92Å | ||
| 181 | T | 98.6 | Very high | 98.5 | Very high | 79 Ų | 79 | 61.7 Ų | 61.7 | 49% | 0.485 | 31% | 0.314 | S | S | . | . | trans | -71.5 | 149.3 | 173.5 | 63.5 | 0 | 0 | 0 | 0 | 111.1 | R183 Q184 I185 | T181-R183 PolarHBondContact O-N 2.94Å; T181-R183 VanDerWaalsContact O-N 3.07Å; T181-Q184 WeakPolarHBondContact O-CA 3.49Å; T181-Q184 WeakPolarHBondContact O-CB 3.23Å; T181-Q184 PolarHBondContact O-N 3.22Å; T181-Q184 VanDerWaalsContact OG1-CG 3.26Å; T181-Q184 WeakPolarHBondContact OG1-CG 3.26Å; T181-Q184 PolarHBondContact OG1-N 3.33Å; T181-Q184 PolarHBondContact OG1-OE1 2.91Å; T181-I185 PolarHBondContact O-N 3.12Å; T181-I185 VanDerWaalsContact O-N 3.09Å | ||
| 182 | E | 98.6 | Very high | 98.5 | Very high | 60 Ų | 60 | 60.7 Ų | 60.7 | 28% | 0.28 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -51.1 | -35.8 | 173.1 | -61.7 | -148.6 | -110.7 | 0 | 0 | 113.5 | R168 R171 I172 A175 I185 K186 | R168-E182 IonicContact CZ-OE1 3.47Å; R168-E182 IonicContact CZ-OE2 3.47Å; R168-E182 VanDerWaalsContact NH1-CD 3.27Å; R168-E182 IonicContact NH1-OE1 3.23Å; R168-E182 PolarHBondContact NH1-OE1 3.42Å; R168-E182 IonicContact NH1-OE2 2.56Å; R168-E182 PolarHBondContact NH1-OE2 3.25Å; R168-E182 IonicContact NH2-OE1 2.79Å; R168-E182 PolarHBondContact NH2-OE1 3.03Å; R168-E182 IonicContact NH2-OE2 3.59Å; R171-E182 HydrophobicContact CG-CB 4.49Å; I172-E182 WeakPolarHBondContact CG1-OE2 3.28Å; A175-E182 HydrophobicContact CB-CG 4.22Å; E182-I185 PolarHBondContact O-N 2.79Å; E182-K186 WeakPolarHBondContact O-CB 3.43Å; E182-K186 PolarHBondContact O-N 3.04Å |
| 183 | R | 98.1 | Very high | 98.4 | Very high | 182 Ų | 182 | 61.7 Ų | 61.7 | 69% | 0.687 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -65.1 | -42.8 | 176.2 | -175.6 | 179.3 | -175.9 | -85 | -1.7 | 111.4 | T181 K186 I187 | T181-R183 PolarHBondContact O-N 2.94Å; T181-R183 VanDerWaalsContact O-N 3.07Å; R183-K186 PolarHBondContact O-N 3.15Å; R183-I187 HydrophobicContact CG-CD1 3.93Å; R183-I187 VanDerWaalsContact NH1-CD1 3.29Å; R183-I187 VanDerWaalsContact O-CG1 3.29Å; R183-I187 WeakPolarHBondContact O-CG1 3.02Å; R183-I187 PolarHBondContact O-N 3.32Å |
| 184 | Q | 98.4 | Very high | 98.4 | Very high | 54 Ų | 54 | 64 Ų | 64 | 25% | 0.252 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.1 | -44.4 | 176.1 | -76.2 | 164.2 | -51.3 | 0 | 0 | 111 | L180 T181 K186 I187 W188 | L180-Q184 HydrophobicContact CB-CB 4.43Å; T181-Q184 WeakPolarHBondContact O-CA 3.49Å; T181-Q184 WeakPolarHBondContact O-CB 3.23Å; T181-Q184 PolarHBondContact O-N 3.22Å; T181-Q184 VanDerWaalsContact OG1-CG 3.26Å; T181-Q184 WeakPolarHBondContact OG1-CG 3.26Å; T181-Q184 PolarHBondContact OG1-N 3.33Å; T181-Q184 PolarHBondContact OG1-OE1 2.91Å; Q184-K186 VanDerWaalsContact C-N 3.34Å; Q184-K186 PolarHBondContact O-N 2.81Å; Q184-I187 PolarHBondContact O-N 3.45Å; Q184-W188 WeakPolarHBondContact O-CB 3.35Å; Q184-W188 PolarHBondContact O-N 2.76Å |
| 185 | I | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -58.2 | -47.3 | 174.5 | -55.2 | -59.2 | 0 | 0 | 0 | 110.6 | L156 L166 R171 I174 A175 L180 T181 E182 I187 W188 F189 | L156-I185 HydrophobicContact CD2-CD1 3.77Å; L166-I185 HydrophobicContact CD1-CG2 3.54Å; R171-I185 HydrophobicContact CG-CB 4.11Å; R171-I185 HydrophobicContact CG-CG2 3.94Å; I174-I185 HydrophobicContact CG2-CD1 3.97Å; A175-I185 HydrophobicContact CB-CG1 4.03Å; L180-I185 HydrophobicContact CB-CD1 3.91Å; L180-I185 HydrophobicContact CB-CG1 4.44Å; L180-I185 HydrophobicContact CD1-CD1 3.92Å; T181-I185 PolarHBondContact O-N 3.12Å; T181-I185 VanDerWaalsContact O-N 3.09Å; E182-I185 PolarHBondContact O-N 2.79Å; I185-I187 PolarHBondContact O-N 2.94Å; I185-W188 PolarHBondContact O-N 3.4Å; I185-F189 HydrophobicContact CG2-CD2 4.05Å; I185-F189 HydrophobicContact CG2-CE2 4.23Å; I185-F189 WeakPolarHBondContact O-CD2 3.44Å; I185-F189 PolarHBondContact O-N 2.91Å |
| 186 | K | 98.4 | Very high | 98.2 | Very high | 120 Ų | 120 | 74.8 Ų | 74.8 | 52% | 0.522 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -57.5 | -47.8 | 177.2 | -177.6 | -176.1 | 177.5 | -177.9 | 0 | 112.1 | E182 R183 Q184 Q190 | E182-K186 WeakPolarHBondContact O-CB 3.43Å; E182-K186 PolarHBondContact O-N 3.04Å; R183-K186 PolarHBondContact O-N 3.15Å; Q184-K186 VanDerWaalsContact C-N 3.34Å; Q184-K186 PolarHBondContact O-N 2.81Å; K186-Q190 PolarHBondContact O-N 3.37Å |
| 187 | I | 98.5 | Very high | 98.1 | Very high | 49 Ų | 49 | 74.3 Ų | 74.3 | 25% | 0.251 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65.5 | -42 | -179.9 | -70.8 | 169 | 0 | 0 | 0 | 110.5 | R183 Q184 I185 Q190 N191 | R183-I187 HydrophobicContact CG-CD1 3.93Å; R183-I187 VanDerWaalsContact NH1-CD1 3.29Å; R183-I187 VanDerWaalsContact O-CG1 3.29Å; R183-I187 WeakPolarHBondContact O-CG1 3.02Å; R183-I187 PolarHBondContact O-N 3.32Å; Q184-I187 PolarHBondContact O-N 3.45Å; I185-I187 PolarHBondContact O-N 2.94Å; I187-Q190 PolarHBondContact O-N 3.34Å; I187-N191 VanDerWaalsContact O-CG 3.27Å; I187-N191 PolarHBondContact O-N 3.46Å; I187-N191 PolarHBondContact O-ND2 2.97Å |
| 188 | W | 98.6 | Very high | 97.9 | Very high | 31 Ų | 31 | 78.1 Ų | 78.1 | 12% | 0.117 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61 | -47.9 | 178.5 | -169.4 | 100.2 | 0 | 0 | 0 | 111.2 | Y148 L156 E157 F160 Q184 I185 Q190 N191 R192 | Y148-W188 AromaticContact CD2-CD1 3.87Å; Y148-W188 AromaticContact CE2-CD1 3.65Å; L156-W188 VanDerWaalsContact C-CH2 3.47Å; L156-W188 HydrophobicContact CB-CD2 3.89Å; L156-W188 HydrophobicContact CB-CE3 3.89Å; L156-W188 HydrophobicContact CB-CH2 3.6Å; L156-W188 HydrophobicContact CB-CZ2 3.56Å; L156-W188 HydrophobicContact CB-CZ3 3.76Å; L156-W188 HydrophobicContact CD1-CD2 3.86Å; L156-W188 HydrophobicContact CD1-CG 3.82Å; L156-W188 HydrophobicContact CD1-CZ2 4.49Å; L156-W188 HydrophobicContact CD2-CD2 4.32Å; L156-W188 HydrophobicContact CD2-CE3 4.25Å; L156-W188 HydrophobicContact CG-CD2 4.25Å; L156-W188 HydrophobicContact CG-CE3 4.46Å; L156-W188 WeakPolarHBondContact O-CH2 3.33Å; L156-W188 WeakPolarHBondContact O-CZ3 3.39Å; E157-W188 HydrophobicContact CG-CH2 3.96Å; E157-W188 HydrophobicContact CG-CZ2 4.02Å; F160-W188 HydrophobicContact CB-CH2 4.41Å; F160-W188 HydrophobicContact CB-CZ3 4.12Å; Q184-W188 WeakPolarHBondContact O-CB 3.35Å; Q184-W188 PolarHBondContact O-N 2.76Å; I185-W188 PolarHBondContact O-N 3.4Å; W188-Q190 VanDerWaalsContact C-N 3.3Å; W188-Q190 PolarHBondContact O-N 3.17Å; W188-N191 PolarHBondContact O-N 3.36Å; W188-R192 HydrophobicContact CE3-CB 3.93Å; W188-R192 HydrophobicContact CE3-CG 4.49Å; W188-R192 HydrophobicContact CH2-CB 4.03Å; W188-R192 HydrophobicContact CH2-CG 3.79Å; W188-R192 HydrophobicContact CZ3-CB 3.67Å; W188-R192 HydrophobicContact CZ3-CG 3.73Å; W188-R192 WeakPolarHBondContact O-CB 3.29Å; W188-R192 PolarHBondContact O-N 3.35Å |
| 189 | F | 98.8 | Very high | 97.6 | Very high | 9 Ų | 9 | 80.9 Ų | 80.9 | 4% | 0.039 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -64.3 | -32.6 | 177 | -90.8 | -103.3 | 0 | 0 | 0 | 112.9 | L156 E159 F160 L166 I185 R193 | L156-F189 HydrophobicContact CD2-CE2 4.05Å; E159-F189 HydrophobicContact CB-CZ 4.03Å; F160-F189 HydrophobicContact CB-CE1 4.23Å; F160-F189 HydrophobicContact CB-CZ 4.38Å; F160-F189 AromaticContact CD2-CD1 3.97Å; F160-F189 HydrophobicContact CD2-CD1 3.97Å; F160-F189 AromaticContact CD2-CE1 3.91Å; F160-F189 HydrophobicContact CD2-CE1 3.91Å; L166-F189 HydrophobicContact CD1-CD1 4.13Å; L166-F189 HydrophobicContact CD1-CD2 3.62Å; L166-F189 HydrophobicContact CD1-CE1 3.92Å; L166-F189 HydrophobicContact CD1-CE2 3.41Å; L166-F189 VanDerWaalsContact CD1-CE2 3.41Å; L166-F189 HydrophobicContact CD1-CG 3.99Å; L166-F189 HydrophobicContact CD1-CZ 3.56Å; L166-F189 HydrophobicContact CD2-CE1 3.78Å; L166-F189 HydrophobicContact CD2-CE2 4.45Å; L166-F189 HydrophobicContact CD2-CZ 3.74Å; L166-F189 HydrophobicContact CG-CD1 3.79Å; L166-F189 HydrophobicContact CG-CD2 4.22Å; L166-F189 HydrophobicContact CG-CE1 3.51Å; L166-F189 HydrophobicContact CG-CE2 3.99Å; L166-F189 HydrophobicContact CG-CG 4.14Å; L166-F189 HydrophobicContact CG-CZ 3.63Å; I185-F189 HydrophobicContact CG2-CD2 4.05Å; I185-F189 HydrophobicContact CG2-CE2 4.23Å; I185-F189 WeakPolarHBondContact O-CD2 3.44Å; I185-F189 PolarHBondContact O-N 2.91Å; F189-R193 WeakPolarHBondContact O-CG 3.26Å; F189-R193 PolarHBondContact O-N 3.04Å; F189-R193 VanDerWaalsContact O-N 3.1Å; F189-R193 PolarHBondContact O-NE 3.08Å |
| 190 | Q | 98.6 | Very high | 97 | Very high | 103 Ų | 103 | 76.9 Ų | 76.9 | 48% | 0.481 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -66.2 | -49.1 | 172.9 | -171.4 | 171.5 | 14 | 0 | 0 | 111.2 | K186 I187 W188 R192 R193 M194 | K186-Q190 PolarHBondContact O-N 3.37Å; I187-Q190 PolarHBondContact O-N 3.34Å; W188-Q190 VanDerWaalsContact C-N 3.3Å; W188-Q190 PolarHBondContact O-N 3.17Å; Q190-R192 VanDerWaalsContact C-N 3.33Å; Q190-R192 PolarHBondContact O-N 3.46Å; Q190-R193 PolarHBondContact O-N 3.04Å; Q190-M194 WeakPolarHBondContact O-CG 3.42Å; Q190-M194 PolarHBondContact O-N 3.29Å; Q190-M194 VanDerWaalsContact O-N 3.12Å |
| 191 | N | 98.3 | Very high | 95.8 | Very high | 85 Ų | 85 | 80.8 Ų | 80.8 | 46% | 0.455 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.2 | -42.6 | 177 | -67.6 | -23.1 | 0 | 0 | 0 | 111.6 | I187 W188 R193 M194 K195 | I187-N191 VanDerWaalsContact O-CG 3.27Å; I187-N191 PolarHBondContact O-N 3.46Å; I187-N191 PolarHBondContact O-ND2 2.97Å; W188-N191 PolarHBondContact O-N 3.36Å; N191-R193 PolarHBondContact O-N 2.86Å; N191-M194 PolarHBondContact O-N 3.27Å; N191-K195 PolarHBondContact O-N 2.76Å |
| 192 | R | 98.4 | Very high | 94.5 | Very high | 34 Ų | 34 | 81.8 Ų | 81.8 | 13% | 0.128 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -63.2 | -41.4 | -179.7 | -177.3 | 62 | -170.1 | 113.6 | -11.5 | 112 | F160 W188 Q190 K195 W196 E199 | F160-R192 HydrophobicContact CB-CG 4.4Å; F160-R192 HydrophobicContact CD1-CG 3.67Å; F160-R192 HydrophobicContact CD2-CB 4.29Å; F160-R192 HydrophobicContact CD2-CG 3.63Å; F160-R192 HydrophobicContact CE1-CG 3.71Å; F160-R192 HydrophobicContact CE2-CB 4.25Å; F160-R192 HydrophobicContact CE2-CG 3.69Å; F160-R192 HydrophobicContact CG-CG 3.62Å; F160-R192 HydrophobicContact CZ-CG 3.72Å; W188-R192 HydrophobicContact CE3-CB 3.93Å; W188-R192 HydrophobicContact CE3-CG 4.49Å; W188-R192 HydrophobicContact CH2-CB 4.03Å; W188-R192 HydrophobicContact CH2-CG 3.79Å; W188-R192 HydrophobicContact CZ3-CB 3.67Å; W188-R192 HydrophobicContact CZ3-CG 3.73Å; W188-R192 WeakPolarHBondContact O-CB 3.29Å; W188-R192 PolarHBondContact O-N 3.35Å; Q190-R192 VanDerWaalsContact C-N 3.33Å; Q190-R192 PolarHBondContact O-N 3.46Å; R192-K195 PolarHBondContact O-N 3.17Å; R192-W196 WeakPolarHBondContact O-CB 3.46Å; R192-W196 PolarHBondContact O-N 2.98Å; R192-E199 IonicContact CZ-OE2 3.91Å; R192-E199 IonicContact NH1-OE2 3.01Å; R192-E199 PolarHBondContact NH1-OE2 2.77Å; R192-E199 IonicContact NH2-OE2 3.53Å |
| 193 | R | 98.2 | Very high | 92.8 | Very high | 84 Ų | 84 | 82.7 Ų | 82.7 | 32% | 0.317 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.2 | -41.5 | 173.6 | -75.3 | -175.9 | -67.8 | 152.9 | -3.5 | 112.4 | F160 F189 Q190 N191 K195 W196 K197 | F160-R193 HydrophobicContact CE2-CG 3.76Å; F160-R193 HydrophobicContact CZ-CG 4.23Å; F189-R193 WeakPolarHBondContact O-CG 3.26Å; F189-R193 PolarHBondContact O-N 3.04Å; F189-R193 VanDerWaalsContact O-N 3.1Å; F189-R193 PolarHBondContact O-NE 3.08Å; Q190-R193 PolarHBondContact O-N 3.04Å; N191-R193 PolarHBondContact O-N 2.86Å; R193-K195 VanDerWaalsContact C-N 3.33Å; R193-K195 PolarHBondContact O-N 3.39Å; R193-W196 PolarHBondContact O-N 3.31Å; R193-K197 WeakPolarHBondContact O-CB 3.3Å; R193-K197 PolarHBondContact O-N 2.99Å |
| 194 | M | 98.2 | Very high | 90.9 | Very high | 112 Ų | 112 | 77.8 Ų | 77.8 | 55% | 0.552 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -62.9 | -41.5 | 176 | -64.6 | -60.8 | -91.2 | 0 | 0 | 111.5 | Q190 N191 K198 | Q190-M194 WeakPolarHBondContact O-CG 3.42Å; Q190-M194 PolarHBondContact O-N 3.29Å; Q190-M194 VanDerWaalsContact O-N 3.12Å; N191-M194 PolarHBondContact O-N 3.27Å; M194-K198 PolarHBondContact O-N 2.81Å; M194-K198 VanDerWaalsContact O-N 3.12Å |
| 195 | K | 96.7 | Very high | 89 | Confident | 119 Ų | 119 | 79.9 Ų | 79.9 | 52% | 0.517 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -62.5 | -48.8 | 174.9 | -159.6 | -165.6 | -171.6 | -124.1 | 0 | 111.4 | N191 R192 R193 K197 K198 E199 | N191-K195 PolarHBondContact O-N 2.76Å; R192-K195 PolarHBondContact O-N 3.17Å; R193-K195 VanDerWaalsContact C-N 3.33Å; R193-K195 PolarHBondContact O-N 3.39Å; K195-K197 VanDerWaalsContact C-N 3.35Å; K195-K197 PolarHBondContact O-N 3.21Å; K195-K198 WeakPolarHBondContact O-CB 3.48Å; K195-K198 PolarHBondContact O-N 3.19Å; K195-E199 VanDerWaalsContact CD-OE1 3.23Å; K195-E199 WeakPolarHBondContact CD-OE1 3.37Å; K195-E199 WeakPolarHBondContact CE-OE1 3.49Å; K195-E199 HydrophobicContact CG-CG 4.42Å; K195-E199 VanDerWaalsContact CG-OE1 3.28Å; K195-E199 WeakPolarHBondContact CG-OE1 3.46Å; K195-E199 IonicContact NZ-OE1 2.7Å; K195-E199 PolarHBondContact NZ-OE1 2.91Å; K195-E199 VanDerWaalsContact O-CG 3.26Å; K195-E199 WeakPolarHBondContact O-CG 3.48Å; K195-E199 PolarHBondContact O-N 2.99Å |
| 196 | W | 96.2 | Very high | 87.1 | Confident | 119 Ų | 119 | 86.1 Ų | 86.1 | 45% | 0.451 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -57.8 | -45.3 | 178.5 | 175.9 | 74 | 0 | 0 | 0 | 112 | F160 R192 R193 K198 E199 S200 | F160-W196 HydrophobicContact CE1-CB 4.29Å; F160-W196 HydrophobicContact CE1-CG 4.38Å; F160-W196 HydrophobicContact CZ-CB 4.11Å; F160-W196 HydrophobicContact CZ-CG 4.35Å; R192-W196 WeakPolarHBondContact O-CB 3.46Å; R192-W196 PolarHBondContact O-N 2.98Å; R193-W196 PolarHBondContact O-N 3.31Å; W196-K198 VanDerWaalsContact C-N 3.3Å; W196-K198 PolarHBondContact O-N 3.45Å; W196-E199 PolarHBondContact O-N 3.4Å; W196-S200 WeakPolarHBondContact O-CB 3.42Å; W196-S200 PolarHBondContact O-N 2.83Å; W196-S200 PolarHBondContact O-OG 3.03Å |
| 197 | K | 95.7 | Very high | 85 | Confident | 110 Ų | 110 | 84.5 Ų | 84.5 | 48% | 0.478 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -60.4 | -38.6 | 175.5 | -175.6 | -178.1 | 68.5 | 170.6 | 0 | 112.4 | R193 K195 S200 N201 | R193-K197 WeakPolarHBondContact O-CB 3.3Å; R193-K197 PolarHBondContact O-N 2.99Å; K195-K197 VanDerWaalsContact C-N 3.35Å; K195-K197 PolarHBondContact O-N 3.21Å; K197-S200 PolarHBondContact O-OG 3.34Å; K197-N201 VanDerWaalsContact O-CG 3.24Å; K197-N201 PolarHBondContact O-N 3.28Å; K197-N201 PolarHBondContact O-ND2 3Å |
| 198 | K | 94.8 | Very high | 82.7 | Confident | 148 Ų | 148 | 90.2 Ų | 90.2 | 64% | 0.643 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -69.5 | -42.4 | 177.2 | -173.3 | 177.8 | 179 | -179.3 | 0 | 111 | M194 K195 W196 L202 | M194-K198 PolarHBondContact O-N 2.81Å; M194-K198 VanDerWaalsContact O-N 3.12Å; K195-K198 WeakPolarHBondContact O-CB 3.48Å; K195-K198 PolarHBondContact O-N 3.19Å; W196-K198 VanDerWaalsContact C-N 3.3Å; W196-K198 PolarHBondContact O-N 3.45Å; K198-L202 HydrophobicContact CG-CD1 4.31Å; K198-L202 WeakPolarHBondContact O-CD1 3.16Å; K198-L202 VanDerWaalsContact O-CG 3.3Å; K198-L202 WeakPolarHBondContact O-CG 3.49Å |
| 199 | E | 91.8 | Very high | 80.4 | Confident | 64 Ų | 64 | 94.1 Ų | 94.1 | 30% | 0.299 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66.2 | -42 | 179.9 | -68.7 | 164.7 | 167.5 | 0 | 0 | 111.6 | R192 K195 W196 N201 L202 T203 | R192-E199 IonicContact CZ-OE2 3.91Å; R192-E199 IonicContact NH1-OE2 3.01Å; R192-E199 PolarHBondContact NH1-OE2 2.77Å; R192-E199 IonicContact NH2-OE2 3.53Å; K195-E199 VanDerWaalsContact CD-OE1 3.23Å; K195-E199 WeakPolarHBondContact CD-OE1 3.37Å; K195-E199 WeakPolarHBondContact CE-OE1 3.49Å; K195-E199 HydrophobicContact CG-CG 4.42Å; K195-E199 VanDerWaalsContact CG-OE1 3.28Å; K195-E199 WeakPolarHBondContact CG-OE1 3.46Å; K195-E199 IonicContact NZ-OE1 2.7Å; K195-E199 PolarHBondContact NZ-OE1 2.91Å; K195-E199 VanDerWaalsContact O-CG 3.26Å; K195-E199 WeakPolarHBondContact O-CG 3.48Å; K195-E199 PolarHBondContact O-N 2.99Å; W196-E199 PolarHBondContact O-N 3.4Å; E199-N201 PolarHBondContact O-N 3.48Å; E199-L202 PolarHBondContact O-N 3.05Å; E199-T203 WeakPolarHBondContact O-CG2 3.4Å; E199-T203 PolarHBondContact O-N 3.16Å; E199-T203 VanDerWaalsContact O-N 3.14Å; E199-T203 PolarHBondContact O-OG1 3.04Å |
| 200 | S | 85.3 | Confident | 77.9 | Confident | 33 Ų | 33 | 96.3 Ų | 96.3 | 23% | 0.231 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -63.2 | -38.7 | 179.9 | 60.6 | 0 | 0 | 0 | 0 | 113.2 | W196 K197 L202 T203 T204 | W196-S200 WeakPolarHBondContact O-CB 3.42Å; W196-S200 PolarHBondContact O-N 2.83Å; W196-S200 PolarHBondContact O-OG 3.03Å; K197-S200 PolarHBondContact O-OG 3.34Å; S200-L202 VanDerWaalsContact C-N 3.3Å; S200-L202 PolarHBondContact O-N 3.03Å; S200-T203 WeakPolarHBondContact CA-OG1 3.42Å; S200-T203 PolarHBondContact O-N 3.38Å; S200-T203 PolarHBondContact O-OG1 3.25Å; S200-T204 PolarHBondContact O-N 3.22Å; S200-T204 PolarHBondContact O-OG1 3.33Å; S200-T204 VanDerWaalsContact O-OG1 3.08Å |
| 201 | N | 72.3 | Confident | 75 | Confident | 102 Ų | 102 | 96.5 Ų | 96.5 | 55% | 0.545 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -71.1 | -27.4 | -179.4 | -65.9 | -12.2 | 0 | 0 | 0 | 112.7 | K197 E199 | K197-N201 VanDerWaalsContact O-CG 3.24Å; K197-N201 PolarHBondContact O-N 3.28Å; K197-N201 PolarHBondContact O-ND2 3Å; E199-N201 PolarHBondContact O-N 3.48Å |
| 202 | L | 71.6 | Confident | 72.4 | Confident | 100 Ų | 100 | 97.5 Ų | 97.5 | 52% | 0.524 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -81.8 | -30.5 | 178.3 | -64.3 | 169 | 0 | 0 | 0 | 111.8 | K198 E199 S200 T205 L206 | K198-L202 HydrophobicContact CG-CD1 4.31Å; K198-L202 WeakPolarHBondContact O-CD1 3.16Å; K198-L202 VanDerWaalsContact O-CG 3.3Å; K198-L202 WeakPolarHBondContact O-CG 3.49Å; E199-L202 PolarHBondContact O-N 3.05Å; S200-L202 VanDerWaalsContact C-N 3.3Å; S200-L202 PolarHBondContact O-N 3.03Å; L202-T205 PolarHBondContact O-OG1 3.22Å; L202-L206 WeakPolarHBondContact O-CG 3.5Å |
| 203 | T | 62.7 | Low | 69.5 | Low | 78 Ų | 78 | 98.7 Ų | 98.7 | 48% | 0.479 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -73.8 | -39.1 | 176.4 | 51.4 | 0 | 0 | 0 | 0 | 111.8 | E199 S200 T205 L206 T207 | E199-T203 WeakPolarHBondContact O-CG2 3.4Å; E199-T203 PolarHBondContact O-N 3.16Å; E199-T203 VanDerWaalsContact O-N 3.14Å; E199-T203 PolarHBondContact O-OG1 3.04Å; S200-T203 WeakPolarHBondContact CA-OG1 3.42Å; S200-T203 PolarHBondContact O-N 3.38Å; S200-T203 PolarHBondContact O-OG1 3.25Å; T203-T205 VanDerWaalsContact C-N 3.25Å; T203-T205 PolarHBondContact O-N 3.28Å; T203-L206 PolarHBondContact O-N 3Å; T203-T207 WeakPolarHBondContact O-CG2 3.43Å; T203-T207 PolarHBondContact O-N 3.33Å; T203-T207 PolarHBondContact O-OG1 3.01Å |
| 204 | T | 59.4 | Low | 66.7 | Low | 79 Ų | 79 | 101.4 Ų | 101.4 | 49% | 0.485 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -57.6 | -38.5 | 177.6 | -56.8 | 0 | 0 | 0 | 0 | 112.1 | S200 L206 | S200-T204 PolarHBondContact O-N 3.22Å; S200-T204 PolarHBondContact O-OG1 3.33Å; S200-T204 VanDerWaalsContact O-OG1 3.08Å; T204-L206 VanDerWaalsContact C-N 3.33Å; T204-L206 PolarHBondContact O-N 3.18Å |
| 205 | T | 58.4 | Low | 64 | Low | 98 Ų | 98 | 101.6 Ų | 101.6 | 60% | 0.601 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -76.1 | -15.9 | 178.3 | 52.6 | 0 | 0 | 0 | 0 | 114.5 | L202 T203 | L202-T205 PolarHBondContact O-OG1 3.22Å; T203-T205 VanDerWaalsContact C-N 3.25Å; T203-T205 PolarHBondContact O-N 3.28Å |
| 206 | L | 58.8 | Low | 61.4 | Low | 132 Ų | 132 | 104.4 Ų | 104.4 | 69% | 0.691 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -101.3 | -18.4 | 179.6 | -68.6 | 173.3 | 0 | 0 | 0 | 112.9 | L202 T203 T204 S209 | L202-L206 WeakPolarHBondContact O-CG 3.5Å; T203-L206 PolarHBondContact O-N 3Å; T204-L206 VanDerWaalsContact C-N 3.33Å; T204-L206 PolarHBondContact O-N 3.18Å; L206-S209 PolarHBondContact O-OG 3.28Å |
| 207 | T | 53.3 | Low | 58.6 | Low | 85 Ų | 85 | 105.7 Ų | 105.7 | 52% | 0.521 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -93.8 | -11.3 | 178.9 | 54.9 | 0 | 0 | 0 | 0 | 113.8 | T203 S209 G210 | T203-T207 WeakPolarHBondContact O-CG2 3.43Å; T203-T207 PolarHBondContact O-N 3.33Å; T203-T207 PolarHBondContact O-OG1 3.01Å; T207-S209 PolarHBondContact O-N 3.25Å; T207-G210 CarbonylContact O-C 3.57Å; T207-G210 PolarHBondContact O-N 3.26Å |
| 208 | E | 50.6 | Low | 56.1 | Low | 169 Ų | 169 | 106.4 Ų | 106.4 | 79% | 0.79 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | -9.9 | 172.9 | -85.1 | -179.2 | 169.3 | 0 | 0 | 113.7 | ||
| 209 | S | 50.4 | Low | 53.5 | Low | 113 Ų | 113 | 102.4 Ų | 102.4 | 79% | 0.79 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.2 | 1.8 | 171.7 | 55.6 | 0 | 0 | 0 | 0 | 114.5 | L206 T207 | L206-S209 PolarHBondContact O-OG 3.28Å; T207-S209 PolarHBondContact O-N 3.25Å |
| 210 | G | 46.5 | Very low | 51.4 | Low | 55 Ų | 55 | 109 Ų | 109 | 57% | 0.567 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -175.4 | 85.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | T207 | T207-G210 CarbonylContact O-C 3.57Å; T207-G210 PolarHBondContact O-N 3.26Å |
| 211 | S | 38.4 | Very low | 49.5 | Very low | 107 Ų | 107 | 116.5 Ų | 116.5 | 75% | 0.748 | 70% | 0.7 | S | S | * | * | trans | 165.6 | 94.5 | 131.8 | -168.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 212 | A | 42.9 | Very low | 48 | Very low | 107 Ų | 107 | 119.2 Ų | 119.2 | 88% | 0.884 | 71% | 0.714 | S | S | * | * | trans | -80.5 | 127.8 | 157.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 213 | G | 37.9 | Very low | 46.9 | Very low | 59 Ų | 59 | 121 Ų | 121 | 61% | 0.608 | 73% | 0.73 | S | S | * | * | trans | 92.6 | 111.7 | 165.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 214 | V | 39.8 | Very low | 46.5 | Very low | 140 Ų | 140 | 126.2 Ų | 126.2 | 85% | 0.848 | 75% | 0.749 | S | S | * | * | -170.2 | 116.6 | 101.8 | 168.1 | 0 | 0 | 0 | 0 | 107.3 | |||||
| 215 | S | 41.2 | Very low | 45.9 | Very low | 116 Ų | 116 | 130.4 Ų | 130.4 | 81% | 0.811 | 76% | 0.763 | S | S | * | * | trans | -67.4 | 135.9 | 164.2 | -57.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 216 | Q | 41 | Very low | 45.5 | Very low | 179 Ų | 179 | 130.6 Ų | 130.6 | 84% | 0.836 | 77% | 0.774 | S | S | * | * | trans | -134 | 101.6 | 155.3 | -103.8 | -176.3 | -9.9 | 0 | 0 | 110 | ||||
| 217 | D | 38.1 | Very low | 45.4 | Very low | 145 Ų | 145 | 130 Ų | 130 | 78% | 0.775 | 78% | 0.776 | S | S | * | * | trans | -54.3 | 130.6 | 151.8 | 170.7 | 40.3 | 0 | 0 | 0 | 110.7 | ||||
| 218 | T | 42.5 | Very low | 45.5 | Very low | 126 Ų | 126 | 134.5 Ų | 134.5 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | trans | -143.4 | 93.4 | 157.8 | 58.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 219 | G | 40.8 | Very low | 46 | Very low | 63 Ų | 63 | 135.7 Ų | 135.7 | 65% | 0.649 | 80% | 0.797 | S | S | * | * | trans | -64.3 | 145.7 | 153.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 220 | K | 48.5 | Very low | 46.5 | Very low | 202 Ų | 202 | 139 Ų | 139 | 88% | 0.878 | 80% | 0.797 | S | S | * | * | trans | -140.8 | 97.4 | 160.7 | -86.9 | -175.7 | 171.6 | 178.3 | 0 | 104.2 | ||||
| 221 | E | 44.5 | Very low | 47.1 | Very low | 191 Ų | 191 | 144.7 Ų | 144.7 | 89% | 0.893 | 81% | 0.806 | S | S | * | * | 57.3 | 122 | 77.5 | -116.7 | 179.8 | -163.2 | 0 | 0 | 113.2 | |||||
| 222 | D | 40.8 | Very low | 47.4 | Very low | 159 Ų | 159 | 151 Ų | 151 | 85% | 0.85 | 82% | 0.824 | S | S | * | * | trans | -68.4 | 142.1 | -164.8 | -60 | -65.5 | 0 | 0 | 0 | 113.5 | ||||
| 223 | T | 48.8 | Very low | 47.6 | Very low | 137 Ų | 137 | 153.2 Ų | 153.2 | 84% | 0.84 | 82% | 0.821 | S | S | * | * | trans | -92.7 | 100.7 | 167.2 | -56.7 | 0 | 0 | 0 | 0 | 107.9 | E225 | T223-E225 PolarHBondContact O-N 3.41Š| ||
| 224 | E | 53 | Low | 48.1 | Very low | 189 Ų | 189 | 158.1 Ų | 158.1 | 88% | 0.883 | 83% | 0.832 | S | S | * | * | trans | -73.6 | 119.1 | 162.8 | -81.8 | -174.4 | 158.4 | 0 | 0 | 109.7 | ||||
| 225 | E | 48.3 | Very low | 48.6 | Very low | 167 Ų | 167 | 159.1 Ų | 159.1 | 78% | 0.78 | 83% | 0.831 | S | S | * | * | trans | -84.3 | 104.8 | 173.6 | -178.6 | 179.5 | -176.1 | 0 | 0 | 108.6 | T223 T227 | T223-E225 PolarHBondContact O-N 3.41Å; E225-T227 HydrophobicContact CG-CG2 4.32Å | ||
| 226 | A | 49.3 | Very low | 49 | Very low | 101 Ų | 101 | 161.6 Ų | 161.6 | 84% | 0.835 | 83% | 0.832 | S | S | * | * | trans | -91 | 101.7 | 165.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 227 | T | 56.7 | Low | 49.5 | Very low | 120 Ų | 120 | 160.6 Ų | 160.6 | 74% | 0.736 | 83% | 0.832 | S | S | * | * | trans | -79.5 | 114.6 | 165.8 | 34.9 | 0 | 0 | 0 | 0 | 109.8 | E225 | E225-T227 HydrophobicContact CG-CG2 4.32Š| ||
| 228 | E | 56.6 | Low | 50.3 | Low | 179 Ų | 179 | 161.6 Ų | 161.6 | 84% | 0.836 | 84% | 0.835 | S | S | * | * | trans | -73.1 | 117.1 | 162.2 | -178.5 | 176.1 | -170.3 | 0 | 0 | 108.4 | ||||
| 229 | E | 60.8 | Low | 50.8 | Low | 195 Ų | 195 | 164.1 Ų | 164.1 | 91% | 0.911 | 84% | 0.84 | S | S | * | * | trans | -136 | 100.7 | 157.5 | -148.8 | 172.2 | -155.8 | 0 | 0 | 111.1 | ||||
| 230 | K | 61.4 | Low | 51.6 | Low | 182 Ų | 182 | 171.9 Ų | 171.9 | 79% | 0.791 | 85% | 0.854 | S | S | * | * | trans | -80.3 | 135.9 | 161 | -176.2 | -175.8 | -172.1 | 176.7 | 0 | 106.7 | ||||
| 231 | K | 57.8 | Low | 51.9 | Low | 175 Ų | 175 | 169.4 Ų | 169.4 | 76% | 0.761 | 85% | 0.852 | S | S | * | * | 139.1 | 120.3 | 128.8 | -169.6 | 169.1 | -176.8 | -142.2 | 0 | 114.3 | |||||
| 232 | E | 44.6 | Very low | 52.5 | Low | 238 Ų | 238 | 167.5 Ų | 167.5 | 100% | 1.112 | 85% | 0.849 | S | S | * | * | trans | 81.6 | 0 | 144.3 | -162 | 164.5 | -166.3 | 0 | 0 | 119.1 |
Retrieved 232 of 232 residues in 328.5 ms
(Link to these results)