| 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 | 41.7 | Very low | 41.6 | Very low | 237 Ų | 237 | 162 Ų | 162 | 100% | 1.167 | 81% | 0.814 | S | S | * | * | 0 | 127.2 | 0 | -75.7 | -147.4 | 168.9 | 0 | 0 | 107.4 | |||||
| 2 | D | 39.8 | Very low | 41.5 | Very low | 156 Ų | 156 | 163.2 Ų | 163.2 | 83% | 0.834 | 82% | 0.823 | S | S | * | * | trans | -79.6 | 139.4 | -142.1 | -59.8 | -83.8 | 0 | 0 | 0 | 115.3 | ||||
| 3 | H | 37.2 | Very low | 41.8 | Very low | 188 Ų | 188 | 158.9 Ų | 158.9 | 87% | 0.87 | 82% | 0.818 | S | S | * | * | trans | -79.2 | 116.3 | 160.3 | -80.2 | -67.1 | 0 | 0 | 0 | 109.2 | ||||
| 4 | H | 45.3 | Very low | 42.1 | Very low | 179 Ų | 179 | 157.1 Ų | 157.1 | 83% | 0.829 | 82% | 0.821 | S | S | * | * | trans | -84.3 | 107.5 | 153.9 | -88.2 | -53.3 | 0 | 0 | 0 | 106.9 | ||||
| 5 | R | 39 | Very low | 42.1 | Very low | 219 Ų | 219 | 158 Ų | 158 | 83% | 0.826 | 83% | 0.826 | S | S | * | * | 57.5 | 117.4 | 62.1 | -129.7 | -142.9 | 158.9 | 146 | -7.2 | 108 | |||||
| 6 | V | 44.8 | Very low | 42.2 | Very low | 100 Ų | 100 | 159.9 Ų | 159.9 | 61% | 0.606 | 83% | 0.83 | S | S | * | * | cis | -168.7 | 146.9 | 35.3 | 168.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 7 | D | 38.5 | Very low | 42.5 | Very low | 122 Ų | 122 | 162.2 Ų | 162.2 | 65% | 0.652 | 84% | 0.835 | S | S | * | * | trans | 15.6 | 156.1 | 139.2 | -62.9 | -27.6 | 0 | 0 | 0 | 120.5 | ||||
| 8 | R | 44.9 | Very low | 42.3 | Very low | 215 Ų | 215 | 159.4 Ų | 159.4 | 81% | 0.811 | 83% | 0.832 | S | S | * | * | cis | -169.2 | 153.2 | 16.8 | -130.3 | 156.8 | 171.8 | 141.6 | -12.8 | 108.5 | ||||
| 9 | V | 42.8 | Very low | 42.2 | Very low | 135 Ų | 135 | 156.9 Ų | 156.9 | 82% | 0.818 | 83% | 0.83 | S | S | * | * | trans | -51.2 | 141.1 | 161.4 | -158 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 10 | G | 42 | Very low | 42.4 | Very low | 65 Ų | 65 | 153.8 Ų | 153.8 | 67% | 0.67 | 83% | 0.827 | S | S | * | * | trans | -160.6 | 85 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L12 | G10-L12 PolarHBondContact O-N 3.35Š| ||
| 11 | L | 41.3 | Very low | 42.7 | Very low | 166 Ų | 166 | 155.7 Ų | 155.7 | 87% | 0.869 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 125.7 | 161.5 | -77.1 | 147.2 | 0 | 0 | 0 | 109.7 | ||
| 12 | L | 40.5 | Very low | 42.8 | Very low | 176 Ų | 176 | 152.2 Ų | 152.2 | 92% | 0.921 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 117.1 | 170.1 | -67.1 | 175 | 0 | 0 | 0 | 108.8 | G10 | G10-L12 PolarHBondContact O-N 3.35Š|
| 13 | S | 46.3 | Very low | 43.1 | Very low | 108 Ų | 108 | 150.1 Ų | 150.1 | 76% | 0.755 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 160.2 | 173.5 | -65.7 | 0 | 0 | 0 | 0 | 112.3 | ||
| 14 | P | 45.6 | Very low | 43.9 | Very low | 133 Ų | 133 | 153 Ų | 153 | 86% | 0.864 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -76 | 135.7 | 178.2 | -0.5 | 19.2 | 0 | 0 | 0 | 110.2 | ||
| 15 | L | 42.4 | Very low | 44 | Very low | 171 Ų | 171 | 151.4 Ų | 151.4 | 90% | 0.895 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -101.9 | 124.4 | 172.9 | -116.8 | 138.7 | 0 | 0 | 0 | 109.2 | ||
| 16 | E | 43.6 | Very low | 44.7 | Very low | 189 Ų | 189 | 146 Ų | 146 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -49.1 | 131.4 | 166.3 | -70.7 | 174.5 | 84.6 | 0 | 0 | 110.9 | ||
| 17 | E | 46.3 | Very low | 44.6 | Very low | 199 Ų | 199 | 144.5 Ų | 144.5 | 93% | 0.93 | 81% | 0.814 | S | S | * | * | trans | -117.7 | 116.8 | 158.1 | -157.1 | 174.6 | 169.8 | 0 | 0 | 109.2 | ||||
| 18 | S | 38.7 | Very low | 45.1 | Very low | 111 Ų | 111 | 146.6 Ų | 146.6 | 78% | 0.776 | 82% | 0.824 | S | S | * | * | trans | -73.6 | 147.8 | -178.9 | 172.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 19 | S | 40.3 | Very low | 45.1 | Very low | 112 Ų | 112 | 142.5 Ų | 142.5 | 78% | 0.783 | 82% | 0.822 | S | S | * | * | trans | -40.1 | 140.6 | 176.2 | -49.4 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 20 | A | 46.3 | Very low | 45.1 | Very low | 94 Ų | 94 | 141.3 Ų | 141.3 | 78% | 0.777 | 82% | 0.82 | S | S | * | * | trans | -139.7 | 109.7 | 145.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 21 | E | 49.2 | Very low | 45.3 | Very low | 194 Ų | 194 | 146.7 Ų | 146.7 | 91% | 0.907 | 83% | 0.828 | S | S | * | * | trans | -62.8 | 131.5 | 168.2 | -67.9 | 168.3 | 124.2 | 0 | 0 | 109.6 | ||||
| 22 | I | 44.8 | Very low | 45.3 | Very low | 164 Ų | 164 | 144.8 Ų | 144.8 | 84% | 0.841 | 83% | 0.828 | S | S | * | * | trans | -123.4 | 123.3 | 164.6 | 45.2 | 155.7 | 0 | 0 | 0 | 110.3 | ||||
| 23 | S | 45.5 | Very low | 45.4 | Very low | 113 Ų | 113 | 140.7 Ų | 140.7 | 79% | 0.79 | 82% | 0.82 | S | S | * | * | trans | -38.7 | 126 | -176.9 | -159.8 | 0 | 0 | 0 | 0 | 115.3 | D25 | S23-D25 VanDerWaalsContact C-N 3.34Å; S23-D25 PolarHBondContact O-N 2.98Å | ||
| 24 | R | 54.9 | Low | 44.9 | Very low | 247 Ų | 247 | 141.3 Ų | 141.3 | 93% | 0.932 | 82% | 0.824 | S | S | * | * | trans | -81.9 | 83.6 | 158 | -73 | -172 | 168.2 | 123.9 | -0.3 | 108.1 | ||||
| 25 | D | 45.9 | Very low | 44.9 | Very low | 147 Ų | 147 | 139.8 Ų | 139.8 | 79% | 0.786 | 82% | 0.816 | S | S | * | * | trans | -89.3 | 128.4 | 169.9 | -169.4 | 24.2 | 0 | 0 | 0 | 110.6 | S23 G27 | S23-D25 VanDerWaalsContact C-N 3.34Å; S23-D25 PolarHBondContact O-N 2.98Å; D25-G27 PolarHBondContact O-N 3.3Å | ||
| 26 | S | 53.8 | Low | 44.7 | Very low | 106 Ų | 106 | 140.1 Ų | 140.1 | 74% | 0.741 | 82% | 0.818 | S | S | * | * | trans | -86.5 | 92.1 | -169.7 | -64.9 | 0 | 0 | 0 | 0 | 109.7 | I28 | S26-I28 PolarHBondContact O-N 3.47Š| ||
| 27 | G | 42.8 | Very low | 44.7 | Very low | 68 Ų | 68 | 135.5 Ų | 135.5 | 70% | 0.701 | 81% | 0.807 | S | S | * | * | trans | -82.1 | 96 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | D25 V29 | D25-G27 PolarHBondContact O-N 3.3Å; G27-V29 PolarHBondContact O-N 3.41Å | ||
| 28 | I | 49.8 | Very low | 44.4 | Very low | 166 Ų | 166 | 134.7 Ų | 134.7 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | trans | -52.3 | 105.9 | 164 | 39.7 | 166.6 | 0 | 0 | 0 | 110.7 | S26 S30 | S26-I28 PolarHBondContact O-N 3.47Å; I28-S30 PolarHBondContact O-N 3.37Å | ||
| 29 | V | 44.5 | Very low | 45 | Very low | 128 Ų | 128 | 135.5 Ų | 135.5 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | trans | -85.4 | 107.9 | 168.3 | 174.2 | 0 | 0 | 0 | 0 | 107.7 | G27 Q31 | G27-V29 PolarHBondContact O-N 3.41Å; V29-Q31 PolarHBondContact O-N 3.14Å | ||
| 30 | S | 43.7 | Very low | 45 | Very low | 110 Ų | 110 | 135.1 Ų | 135.1 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | trans | -57.8 | 105.7 | 169 | -80.5 | 0 | 0 | 0 | 0 | 109.8 | I28 S32 | I28-S30 PolarHBondContact O-N 3.37Å; S30-S32 PolarHBondContact O-N 3.17Å | ||
| 31 | Q | 45.2 | Very low | 44.8 | Very low | 179 Ų | 179 | 138.8 Ų | 138.8 | 84% | 0.836 | 81% | 0.809 | S | S | * | * | trans | -67.3 | 117.2 | 169.4 | -62.1 | -178 | 19 | 0 | 0 | 108.7 | V29 | V29-Q31 PolarHBondContact O-N 3.14Š| ||
| 32 | S | 42 | Very low | 44.6 | Very low | 126 Ų | 126 | 136.5 Ų | 136.5 | 88% | 0.881 | 80% | 0.803 | S | S | * | * | trans | -103.9 | 87.1 | 162 | -59.4 | 0 | 0 | 0 | 0 | 107.6 | S30 | S30-S32 PolarHBondContact O-N 3.17Š| ||
| 33 | A | 42.4 | Very low | 44.9 | Very low | 90 Ų | 90 | 134.9 Ų | 134.9 | 74% | 0.744 | 81% | 0.805 | S | S | * | * | trans | -124 | 103.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | S35 | A33-S35 PolarHBondContact O-N 3.44Š| ||
| 34 | S | 35.3 | Very low | 44.6 | Very low | 121 Ų | 121 | 134.9 Ų | 134.9 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | trans | -76.7 | 113.7 | 168.9 | -83 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 35 | S | 45.1 | Very low | 44.1 | Very low | 100 Ų | 100 | 128.6 Ų | 128.6 | 70% | 0.699 | 80% | 0.799 | S | S | * | * | trans | 43.6 | 109.6 | 137.6 | 62.6 | 0 | 0 | 0 | 0 | 119.1 | A33 | A33-S35 PolarHBondContact O-N 3.44Š| ||
| 36 | L | 39.8 | Very low | 43.6 | Very low | 178 Ų | 178 | 125 Ų | 125 | 93% | 0.932 | 80% | 0.797 | S | S | * | * | -155.5 | 129.5 | 116.2 | -107.8 | 154.8 | 0 | 0 | 0 | 111 | |||||
| 37 | S | 42.4 | Very low | 43.2 | Very low | 92 Ų | 92 | 126.1 Ų | 126.1 | 64% | 0.643 | 80% | 0.8 | S | S | * | * | trans | -63.7 | 147.2 | 179.7 | -174.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 38 | M | 39.9 | Very low | 43.2 | Very low | 182 Ų | 182 | 129 Ų | 129 | 90% | 0.897 | 80% | 0.803 | S | S | * | * | -173 | 105.7 | 123.4 | -90.2 | -59.4 | -168.8 | 0 | 0 | 108 | |||||
| 39 | V | 50.7 | Low | 42.8 | Very low | 128 Ų | 128 | 126.2 Ų | 126.2 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | trans | -72.3 | 130.3 | 164.1 | -79.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 40 | S | 41.4 | Very low | 42.8 | Very low | 104 Ų | 104 | 128.5 Ų | 128.5 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | trans | -167.6 | 86.2 | 149.4 | -77.9 | 0 | 0 | 0 | 0 | 108.7 | L42 | S40-L42 VanDerWaalsContact C-N 3.35Å; S40-L42 PolarHBondContact O-N 2.77Å | ||
| 41 | D | 42.4 | Very low | 42.7 | Very low | 171 Ų | 171 | 128.1 Ų | 128.1 | 91% | 0.914 | 80% | 0.798 | S | S | * | * | trans | -72.8 | 95.7 | 154.8 | -76 | -51.5 | 0 | 0 | 0 | 107.5 | ||||
| 42 | L | 44.8 | Very low | 42.8 | Very low | 147 Ų | 147 | 124.6 Ų | 124.6 | 77% | 0.77 | 79% | 0.791 | S | S | * | * | trans | -115.3 | 105.7 | 160.1 | -63.2 | 171.4 | 0 | 0 | 0 | 106.2 | S40 S44 | S40-L42 VanDerWaalsContact C-N 3.35Å; S40-L42 PolarHBondContact O-N 2.77Å; L42-S44 PolarHBondContact O-N 3Å | ||
| 43 | S | 51 | Low | 42.8 | Very low | 129 Ų | 129 | 124 Ų | 124 | 90% | 0.902 | 79% | 0.787 | S | S | * | * | trans | -44.6 | 97.4 | 166.7 | 20.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 44 | S | 37.9 | Very low | 43.1 | Very low | 113 Ų | 113 | 129.8 Ų | 129.8 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | trans | -101.2 | 97.3 | 169.2 | -167.3 | 0 | 0 | 0 | 0 | 108.2 | L42 G46 | L42-S44 PolarHBondContact O-N 3Å; S44-G46 PolarHBondContact O-N 2.86Å | ||
| 45 | S | 44.9 | Very low | 43.4 | Very low | 115 Ų | 115 | 126.6 Ų | 126.6 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | -53.7 | 100.5 | 163.6 | -89.4 | 0 | 0 | 0 | 0 | 108.9 | T47 | S45-T47 PolarHBondContact O-N 3.42Š| ||
| 46 | G | 35.6 | Very low | 43.3 | Very low | 71 Ų | 71 | 127 Ų | 127 | 73% | 0.732 | 79% | 0.792 | S | S | * | * | trans | -65.1 | 97.7 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109 | S44 V48 | S44-G46 PolarHBondContact O-N 2.86Å; G46-V48 PolarHBondContact O-N 3.16Å | ||
| 47 | T | 46.3 | Very low | 43.4 | Very low | 131 Ų | 131 | 123.4 Ų | 123.4 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | -70 | 114.2 | 159.5 | 51.9 | 0 | 0 | 0 | 0 | 106.6 | S45 S49 | S45-T47 PolarHBondContact O-N 3.42Å; T47-S49 PolarHBondContact O-N 3.22Å | ||
| 48 | V | 43.1 | Very low | 43.3 | Very low | 127 Ų | 127 | 124 Ų | 124 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | trans | -62.8 | 104.7 | 166.7 | 171.1 | 0 | 0 | 0 | 0 | 106.3 | G46 Q50 | G46-V48 PolarHBondContact O-N 3.16Å; V48-Q50 HydrophobicContact CG1-CG 4.33Å; V48-Q50 PolarHBondContact O-N 3.32Å | ||
| 49 | S | 40.8 | Very low | 43.4 | Very low | 109 Ų | 109 | 120.4 Ų | 120.4 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | trans | -68.4 | 100.1 | 169.7 | -157.2 | 0 | 0 | 0 | 0 | 107.2 | T47 S51 | T47-S49 PolarHBondContact O-N 3.22Å; S49-S51 PolarHBondContact O-N 3.19Å; S49-S51 VanDerWaalsContact O-N 3.13Å | ||
| 50 | Q | 44.6 | Very low | 43.2 | Very low | 175 Ų | 175 | 118.7 Ų | 118.7 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -71.3 | 102.8 | 169.2 | -70.4 | -157.3 | 21.7 | 0 | 0 | 108 | V48 | V48-Q50 HydrophobicContact CG1-CG 4.33Å; V48-Q50 PolarHBondContact O-N 3.32Å | ||
| 51 | S | 41.7 | Very low | 43.5 | Very low | 102 Ų | 102 | 121 Ų | 121 | 71% | 0.713 | 80% | 0.8 | S | S | * | * | trans | -63.3 | 130.7 | 163.9 | -37.6 | 0 | 0 | 0 | 0 | 108.3 | S49 S53 | S49-S51 PolarHBondContact O-N 3.19Å; S49-S51 VanDerWaalsContact O-N 3.13Å; S51-S53 PolarHBondContact O-N 3.23Å; S51-S53 VanDerWaalsContact O-N 3.13Å | ||
| 52 | P | 47.7 | Very low | 43.8 | Very low | 106 Ų | 106 | 119 Ų | 119 | 69% | 0.688 | 79% | 0.794 | S | S | * | * | trans | -66.8 | 117.5 | 169.9 | 26 | -28.8 | 0 | 0 | 0 | 108.2 | F54 | P52-F54 PolarHBondContact O-N 3.32Å; P52-F54 VanDerWaalsContact O-N 3.12Å | ||
| 53 | S | 41.9 | Very low | 43.7 | Very low | 113 Ų | 113 | 117.7 Ų | 117.7 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | trans | -49.7 | 113.3 | 164.2 | 178.2 | 0 | 0 | 0 | 0 | 109.1 | S51 G55 | S51-S53 PolarHBondContact O-N 3.23Å; S51-S53 VanDerWaalsContact O-N 3.13Å; S53-G55 PolarHBondContact O-N 3.44Å | ||
| 54 | F | 48.4 | Very low | 43.4 | Very low | 211 Ų | 211 | 116.4 Ų | 116.4 | 93% | 0.925 | 78% | 0.783 | S | S | * | * | trans | -73.2 | 75.5 | 169.7 | -94.6 | -91.5 | 0 | 0 | 0 | 109 | P52 | P52-F54 PolarHBondContact O-N 3.32Å; P52-F54 VanDerWaalsContact O-N 3.12Å | ||
| 55 | G | 40.5 | Very low | 43.3 | Very low | 54 Ų | 54 | 121.9 Ų | 121.9 | 56% | 0.557 | 79% | 0.786 | S | S | * | * | trans | -98.1 | 103.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111 | S53 A57 | S53-G55 PolarHBondContact O-N 3.44Å; G55-A57 PolarHBondContact O-N 3.26Å | ||
| 56 | A | 43.6 | Very low | 43.3 | Very low | 110 Ų | 110 | 121 Ų | 121 | 91% | 0.909 | 78% | 0.78 | S | S | * | * | S | Bend | trans | 50.9 | 61 | 140.9 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||
| 57 | A | 40.8 | Very low | 43.5 | Very low | 102 Ų | 102 | 123.7 Ų | 123.7 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | trans | -135 | 18.7 | 164.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | G55 | G55-A57 PolarHBondContact O-N 3.26Š| ||
| 58 | A | 41.5 | Very low | 43.2 | Very low | 103 Ų | 103 | 122.6 Ų | 122.6 | 85% | 0.851 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -110.4 | 16.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 59 | A | 42.6 | Very low | 43.1 | Very low | 107 Ų | 107 | 124.3 Ų | 124.3 | 88% | 0.884 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -115 | 12.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 60 | A | 45.2 | Very low | 43 | Very low | 92 Ų | 92 | 126.3 Ų | 126.3 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -120.8 | 0.5 | -172.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 61 | N | 48 | Very low | 42.8 | Very low | 153 Ų | 153 | 127.1 Ų | 127.1 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -135.4 | 18.7 | -174.1 | -139.5 | 27 | 0 | 0 | 0 | 117.6 | V63 | N61-V63 VanDerWaalsContact C-N 3.32Å; N61-V63 PolarHBondContact O-N 3.27Å | ||
| 62 | V | 48.6 | Very low | 42.6 | Very low | 130 Ų | 130 | 126.7 Ų | 126.7 | 79% | 0.788 | 80% | 0.795 | S | S | * | * | trans | -98.3 | 66.9 | 163.8 | -170.3 | 0 | 0 | 0 | 0 | 108.4 | S64 | V62-S64 VanDerWaalsContact C-N 3.34Å; V62-S64 PolarHBondContact O-N 2.99Å | ||
| 63 | V | 43.4 | Very low | 42.5 | Very low | 119 Ų | 119 | 127 Ų | 127 | 72% | 0.721 | 81% | 0.806 | S | S | * | * | trans | -75.7 | 98.2 | 155.4 | 169.7 | 0 | 0 | 0 | 0 | 105.5 | N61 R65 | N61-V63 VanDerWaalsContact C-N 3.32Å; N61-V63 PolarHBondContact O-N 3.27Å; V63-R65 HydrophobicContact CG1-CB 4.42Å; V63-R65 PolarHBondContact O-N 3.2Å | ||
| 64 | S | 44.1 | Very low | 42.3 | Very low | 102 Ų | 102 | 125 Ų | 125 | 71% | 0.713 | 80% | 0.804 | S | S | * | * | trans | -61.3 | 87.4 | 166.1 | -56 | 0 | 0 | 0 | 0 | 108.7 | V62 S66 | V62-S64 VanDerWaalsContact C-N 3.34Å; V62-S64 PolarHBondContact O-N 2.99Å; S64-S66 PolarHBondContact O-N 3.09Å | ||
| 65 | R | 35.7 | Very low | 42.2 | Very low | 228 Ų | 228 | 124.3 Ų | 124.3 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | trans | -88.7 | 89.6 | 171.6 | -169.8 | 176.3 | -176.3 | -171.1 | 0 | 108.3 | V63 | V63-R65 HydrophobicContact CG1-CB 4.42Å; V63-R65 PolarHBondContact O-N 3.2Å | ||
| 66 | S | 45.1 | Very low | 42.2 | Very low | 97 Ų | 97 | 131.1 Ų | 131.1 | 68% | 0.678 | 82% | 0.82 | S | S | * | * | trans | -60.8 | 132.4 | 165.3 | -46.6 | 0 | 0 | 0 | 0 | 109.5 | S64 S68 | S64-S66 PolarHBondContact O-N 3.09Å; S66-S68 PolarHBondContact O-N 3.46Å | ||
| 67 | P | 40.4 | Very low | 42.2 | Very low | 126 Ų | 126 | 128.4 Ų | 128.4 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | -79 | 103.7 | 162.7 | 30.8 | -25.1 | 0 | 0 | 0 | 107 | L69 | P67-L69 PolarHBondContact O-N 2.9Å; P67-L69 VanDerWaalsContact O-N 3.14Å | ||
| 68 | S | 39.7 | Very low | 42.7 | Very low | 109 Ų | 109 | 130.6 Ų | 130.6 | 76% | 0.762 | 81% | 0.806 | S | S | * | * | trans | -73.2 | 102.1 | 166.8 | -146.4 | 0 | 0 | 0 | 0 | 107.2 | S66 N70 | S66-S68 PolarHBondContact O-N 3.46Å; S68-N70 PolarHBondContact O-N 3.35Å | ||
| 69 | L | 40.1 | Very low | 43.2 | Very low | 162 Ų | 162 | 129 Ų | 129 | 85% | 0.848 | 79% | 0.794 | S | S | * | * | trans | -73.6 | 103.8 | 173.1 | -171.8 | 73.4 | 0 | 0 | 0 | 107.8 | P67 Q71 | P67-L69 PolarHBondContact O-N 2.9Å; P67-L69 VanDerWaalsContact O-N 3.14Å; L69-Q71 PolarHBondContact O-N 2.71Å | ||
| 70 | N | 39.8 | Very low | 43.6 | Very low | 152 Ų | 152 | 130.4 Ų | 130.4 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | trans | -63.9 | 106.2 | 172.8 | -79.1 | -15.7 | 0 | 0 | 0 | 109.4 | S68 A72 | S68-N70 PolarHBondContact O-N 3.35Å; N70-A72 PolarHBondContact O-N 3.43Å | ||
| 71 | Q | 40.5 | Very low | 44 | Very low | 192 Ų | 192 | 132.7 Ų | 132.7 | 90% | 0.897 | 78% | 0.781 | S | S | * | * | trans | -75.4 | 99.6 | 171.3 | -168.2 | 166.8 | 90.2 | 0 | 0 | 108.8 | L69 | L69-Q71 PolarHBondContact O-N 2.71Š| ||
| 72 | A | 37.2 | Very low | 44.3 | Very low | 92 Ų | 92 | 132 Ų | 132 | 76% | 0.76 | 77% | 0.773 | S | S | * | * | trans | -84.4 | 129.3 | 163.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | N70 G74 | N70-A72 PolarHBondContact O-N 3.43Å; A72-G74 PolarHBondContact O-N 3.35Å | ||
| 73 | A | 45.7 | Very low | 44.7 | Very low | 112 Ų | 112 | 131.4 Ų | 131.4 | 93% | 0.926 | 76% | 0.761 | S | S | * | * | trans | -49.7 | 127.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 74 | G | 36.7 | Very low | 45.7 | Very low | 72 Ų | 72 | 129.8 Ų | 129.8 | 74% | 0.742 | 75% | 0.749 | S | S | * | * | trans | -160.9 | 111.5 | 171 | 0 | 0 | 0 | 0 | 0 | 109 | A72 H76 | A72-G74 PolarHBondContact O-N 3.35Å; G74-H76 PolarHBondContact O-N 2.87Å | ||
| 75 | E | 46.3 | Very low | 47 | Very low | 196 Ų | 196 | 128.1 Ų | 128.1 | 92% | 0.916 | 74% | 0.737 | S | S | * | * | trans | -67.9 | 104.9 | -178.7 | -60.5 | 167.7 | 142.6 | 0 | 0 | 111.3 | ||||
| 76 | H | 42.3 | Very low | 48.9 | Very low | 197 Ų | 197 | 123.8 Ų | 123.8 | 91% | 0.912 | 73% | 0.726 | S | S | * | * | trans | 170.8 | 136.6 | 144.6 | -116.3 | 30.4 | 0 | 0 | 0 | 112 | G74 | G74-H76 PolarHBondContact O-N 2.87Š| ||
| 77 | G | 42.5 | Very low | 50.6 | Low | 54 Ų | 54 | 124.2 Ų | 124.2 | 56% | 0.557 | 72% | 0.717 | S | S | * | * | trans | 98.7 | 67.3 | 155.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | A79 | G77-A79 PolarHBondContact O-N 3.45Š| ||
| 78 | T | 51 | Low | 52.7 | Low | 147 Ų | 147 | 123.1 Ų | 123.1 | 90% | 0.902 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | 44.2 | 175.4 | 47.2 | 0 | 0 | 0 | 0 | 114.7 | ||
| 79 | A | 51.9 | Low | 55.1 | Low | 71 Ų | 71 | 123 Ų | 123 | 59% | 0.587 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.7 | -30.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114 | G77 | G77-A79 PolarHBondContact O-N 3.45Š|
| 80 | D | 52.3 | Low | 57.5 | Low | 136 Ų | 136 | 119.9 Ų | 119.9 | 73% | 0.727 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -89.4 | -19.8 | -174.3 | -74.1 | -34.8 | 0 | 0 | 0 | 114.5 | ||
| 81 | Q | 53.3 | Low | 60 | Low | 139 Ų | 139 | 116.8 Ų | 116.8 | 65% | 0.65 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -83.1 | -26.8 | -177.6 | -132.6 | 87.1 | 76.5 | 0 | 0 | 114.1 | S85 | Q81-S85 PolarHBondContact O-N 3.39Å; Q81-S85 PolarHBondContact O-OG 2.84Å; Q81-S85 VanDerWaalsContact O-OG 3.12Å |
| 82 | Q | 54.7 | Low | 62.5 | Low | 138 Ų | 138 | 113.1 Ų | 113.1 | 65% | 0.645 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -70.7 | -38.4 | 176.3 | -75.7 | -179.3 | -38.5 | 0 | 0 | 111 | D84 S85 E86 | Q82-D84 VanDerWaalsContact C-N 3.33Å; Q82-D84 PolarHBondContact O-N 3.22Å; Q82-S85 PolarHBondContact O-N 2.9Å; Q82-E86 WeakPolarHBondContact O-CB 3.35Å; Q82-E86 WeakPolarHBondContact O-CG 3.44Å; Q82-E86 PolarHBondContact O-N 3.3Å; Q82-E86 VanDerWaalsContact O-N 3.09Å |
| 83 | H | 56.9 | Low | 65.2 | Low | 119 Ų | 119 | 115.7 Ų | 115.7 | 55% | 0.551 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -64.3 | -36.1 | 178.6 | -169.9 | -77.4 | 0 | 0 | 0 | 112.5 | Q87 | H83-Q87 VanDerWaalsContact O-CB 3.28Å; H83-Q87 WeakPolarHBondContact O-CB 3.4Å; H83-Q87 PolarHBondContact O-N 3.19Å |
| 84 | D | 63.8 | Low | 67.5 | Low | 85 Ų | 85 | 114.6 Ų | 114.6 | 46% | 0.455 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -73 | -39.8 | 179.5 | -157.9 | 45.9 | 0 | 0 | 0 | 112.1 | Q82 Q87 D88 | Q82-D84 VanDerWaalsContact C-N 3.33Å; Q82-D84 PolarHBondContact O-N 3.22Å; D84-Q87 PolarHBondContact O-N 2.92Å; D84-D88 PolarHBondContact O-N 3.48Å |
| 85 | S | 70.8 | Confident | 70.3 | Confident | 67 Ų | 67 | 113.7 Ų | 113.7 | 47% | 0.469 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -70 | -39.4 | 178.2 | -55.5 | 0 | 0 | 0 | 0 | 112.5 | Q81 Q82 Q87 D88 D89 | Q81-S85 PolarHBondContact O-N 3.39Å; Q81-S85 PolarHBondContact O-OG 2.84Å; Q81-S85 VanDerWaalsContact O-OG 3.12Å; Q82-S85 PolarHBondContact O-N 2.9Å; S85-Q87 VanDerWaalsContact C-N 3.27Å; S85-Q87 PolarHBondContact O-N 3.44Å; S85-D88 PolarHBondContact O-N 3.31Å; S85-D89 WeakPolarHBondContact O-CB 3.49Å; S85-D89 PolarHBondContact O-N 3.04Å |
| 86 | E | 76.5 | Confident | 72.5 | Confident | 136 Ų | 136 | 107 Ų | 107 | 64% | 0.636 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -66.2 | -32 | 174.7 | -72.4 | 178.3 | 173.9 | 0 | 0 | 112 | Q82 E90 | Q82-E86 WeakPolarHBondContact O-CB 3.35Å; Q82-E86 WeakPolarHBondContact O-CG 3.44Å; Q82-E86 PolarHBondContact O-N 3.3Å; Q82-E86 VanDerWaalsContact O-N 3.09Å; E86-E90 WeakPolarHBondContact O-CB 3.14Å; E86-E90 PolarHBondContact O-N 2.84Å |
| 87 | Q | 80.4 | Confident | 75 | Confident | 106 Ų | 106 | 100.8 Ų | 100.8 | 50% | 0.495 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -73.4 | -41.1 | 177.6 | -166.5 | 160.5 | 32.5 | 0 | 0 | 111.8 | H83 D84 S85 E90 V91 | H83-Q87 VanDerWaalsContact O-CB 3.28Å; H83-Q87 WeakPolarHBondContact O-CB 3.4Å; H83-Q87 PolarHBondContact O-N 3.19Å; D84-Q87 PolarHBondContact O-N 2.92Å; S85-Q87 VanDerWaalsContact C-N 3.27Å; S85-Q87 PolarHBondContact O-N 3.44Å; Q87-E90 PolarHBondContact O-N 3.4Å; Q87-V91 WeakPolarHBondContact O-CG2 3.47Å; Q87-V91 PolarHBondContact O-N 3.08Å |
| 88 | D | 85.4 | Confident | 77.3 | Confident | 104 Ų | 104 | 103.2 Ų | 103.2 | 56% | 0.556 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.3 | -41.6 | 172.2 | -83.4 | -10 | 0 | 0 | 0 | 112.1 | D84 S85 E90 V91 L92 | D84-D88 PolarHBondContact O-N 3.48Å; S85-D88 PolarHBondContact O-N 3.31Å; D88-E90 VanDerWaalsContact C-N 3.35Å; D88-E90 PolarHBondContact O-N 3.48Å; D88-V91 PolarHBondContact O-N 2.94Å; D88-L92 WeakPolarHBondContact O-CB 3.38Å; D88-L92 PolarHBondContact O-N 3.21Å |
| 89 | D | 88.4 | Confident | 79 | Confident | 106 Ų | 106 | 104.2 Ų | 104.2 | 57% | 0.567 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.9 | -38.5 | 175.5 | -81 | -19.3 | 0 | 0 | 0 | 111.8 | S85 L92 R93 | S85-D89 WeakPolarHBondContact O-CB 3.49Å; S85-D89 PolarHBondContact O-N 3.04Å; D89-L92 PolarHBondContact O-N 2.95Å; D89-R93 VanDerWaalsContact O-CB 3.27Å; D89-R93 WeakPolarHBondContact O-CB 3.39Å; D89-R93 PolarHBondContact O-N 3.39Å |
| 90 | E | 91.3 | Very high | 80.8 | Confident | 97 Ų | 97 | 103.2 Ų | 103.2 | 45% | 0.453 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -69.3 | -39.5 | 175.9 | -174.5 | 57.6 | -154.5 | 0 | 0 | 112 | E86 Q87 D88 L92 R93 Q94 | E86-E90 WeakPolarHBondContact O-CB 3.14Å; E86-E90 PolarHBondContact O-N 2.84Å; Q87-E90 PolarHBondContact O-N 3.4Å; D88-E90 VanDerWaalsContact C-N 3.35Å; D88-E90 PolarHBondContact O-N 3.48Å; E90-L92 VanDerWaalsContact C-N 3.34Å; E90-R93 PolarHBondContact O-N 2.81Å; E90-R93 IonicContact OE1-NE 3.87Å; E90-R93 IonicContact OE2-NE 3.57Å; E90-Q94 VanDerWaalsContact O-CB 3.28Å; E90-Q94 WeakPolarHBondContact O-CB 3.26Å; E90-Q94 PolarHBondContact O-N 3.48Å |
| 91 | V | 92 | Very high | 82.4 | Confident | 86 Ų | 86 | 98.9 Ų | 98.9 | 52% | 0.521 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.8 | -41.4 | 173.8 | 172.5 | 0 | 0 | 0 | 0 | 110.8 | Q87 D88 Q94 T95 | Q87-V91 WeakPolarHBondContact O-CG2 3.47Å; Q87-V91 PolarHBondContact O-N 3.08Å; D88-V91 PolarHBondContact O-N 2.94Å; V91-Q94 PolarHBondContact O-N 2.94Å; V91-T95 VanDerWaalsContact O-CB 3.28Å; V91-T95 WeakPolarHBondContact O-CB 3.42Å; V91-T95 PolarHBondContact O-N 3.47Å; V91-T95 PolarHBondContact O-OG1 2.87Å |
| 92 | L | 93.2 | Very high | 83.8 | Confident | 115 Ų | 115 | 100.4 Ų | 100.4 | 60% | 0.602 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.8 | -44.6 | 175.3 | 179.3 | 61.4 | 0 | 0 | 0 | 111.2 | D88 D89 E90 T95 A96 | D88-L92 WeakPolarHBondContact O-CB 3.38Å; D88-L92 PolarHBondContact O-N 3.21Å; D89-L92 PolarHBondContact O-N 2.95Å; E90-L92 VanDerWaalsContact C-N 3.34Å; L92-T95 PolarHBondContact O-N 3.32Å; L92-A96 VanDerWaalsContact O-CB 3.3Å; L92-A96 WeakPolarHBondContact O-CB 3.42Å; L92-A96 PolarHBondContact O-N 2.99Å |
| 93 | R | 93 | Very high | 85 | Confident | 146 Ų | 146 | 99.6 Ų | 99.6 | 55% | 0.551 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62 | -45 | 177.2 | -165.9 | -172.2 | 106.3 | 90.2 | 2.9 | 111.4 | D89 E90 A96 L97 | D89-R93 VanDerWaalsContact O-CB 3.27Å; D89-R93 WeakPolarHBondContact O-CB 3.39Å; D89-R93 PolarHBondContact O-N 3.39Å; E90-R93 PolarHBondContact O-N 2.81Å; E90-R93 IonicContact OE1-NE 3.87Å; E90-R93 IonicContact OE2-NE 3.57Å; R93-A96 PolarHBondContact O-N 2.9Å; R93-L97 HydrophobicContact CG-CD1 4.39Å; R93-L97 WeakPolarHBondContact O-CB 3.34Å; R93-L97 VanDerWaalsContact O-CG 3.28Å; R93-L97 WeakPolarHBondContact O-CG 3.24Å; R93-L97 PolarHBondContact O-N 3.07Å |
| 94 | Q | 95.1 | Very high | 86 | Confident | 89 Ų | 89 | 102.2 Ų | 102.2 | 42% | 0.416 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.6 | -41.9 | 177.2 | -176.4 | 62.6 | 7.2 | 0 | 0 | 111.4 | E90 V91 L97 Q98 | E90-Q94 VanDerWaalsContact O-CB 3.28Å; E90-Q94 WeakPolarHBondContact O-CB 3.26Å; E90-Q94 PolarHBondContact O-N 3.48Å; V91-Q94 PolarHBondContact O-N 2.94Å; Q94-L97 PolarHBondContact O-N 3.36Å; Q94-Q98 WeakPolarHBondContact O-CB 3.37Å; Q94-Q98 VanDerWaalsContact O-CG 3.3Å; Q94-Q98 WeakPolarHBondContact O-CG 3.38Å; Q94-Q98 PolarHBondContact O-N 2.94Å |
| 95 | T | 94.3 | Very high | 86.4 | Confident | 54 Ų | 54 | 101.9 Ų | 101.9 | 33% | 0.331 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.5 | -46.6 | 175.7 | -58 | 0 | 0 | 0 | 0 | 110.8 | V91 L92 L97 Q98 Y99 | V91-T95 VanDerWaalsContact O-CB 3.28Å; V91-T95 WeakPolarHBondContact O-CB 3.42Å; V91-T95 PolarHBondContact O-N 3.47Å; V91-T95 PolarHBondContact O-OG1 2.87Å; L92-T95 PolarHBondContact O-N 3.32Å; T95-L97 VanDerWaalsContact C-N 3.32Å; T95-L97 PolarHBondContact O-N 2.93Å; T95-Q98 PolarHBondContact O-N 2.66Å; T95-Y99 HydrophobicContact CG2-CD2 3.84Å; T95-Y99 HydrophobicContact CG2-CE2 3.96Å; T95-Y99 WeakPolarHBondContact O-CD2 3.4Å; T95-Y99 PolarHBondContact O-N 3.49Å |
| 96 | A | 94.3 | Very high | 86.7 | Confident | 55 Ų | 55 | 102.2 Ų | 102.2 | 46% | 0.455 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.7 | -39.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L92 R93 Y99 S100 | L92-A96 VanDerWaalsContact O-CB 3.3Å; L92-A96 WeakPolarHBondContact O-CB 3.42Å; L92-A96 PolarHBondContact O-N 2.99Å; R93-A96 PolarHBondContact O-N 2.9Å; A96-Y99 PolarHBondContact O-N 2.74Å; A96-S100 VanDerWaalsContact O-CB 3.26Å; A96-S100 WeakPolarHBondContact O-CB 3.48Å; A96-S100 PolarHBondContact O-N 3.31Å; A96-S100 PolarHBondContact O-OG 3.19Å |
| 97 | L | 92.9 | Very high | 87.1 | Confident | 67 Ų | 67 | 97 Ų | 97 | 35% | 0.351 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.8 | -45.5 | 174.3 | -79.2 | 167.9 | 0 | 0 | 0 | 111.7 | R93 Q94 T95 S100 S101 | R93-L97 HydrophobicContact CG-CD1 4.39Å; R93-L97 WeakPolarHBondContact O-CB 3.34Å; R93-L97 VanDerWaalsContact O-CG 3.28Å; R93-L97 WeakPolarHBondContact O-CG 3.24Å; R93-L97 PolarHBondContact O-N 3.07Å; Q94-L97 PolarHBondContact O-N 3.36Å; T95-L97 VanDerWaalsContact C-N 3.32Å; T95-L97 PolarHBondContact O-N 2.93Å; L97-S100 WeakPolarHBondContact CA-OG 3.44Å; L97-S100 PolarHBondContact O-N 2.99Å; L97-S100 PolarHBondContact O-OG 3.43Å; L97-S101 WeakPolarHBondContact O-CB 3.47Å; L97-S101 PolarHBondContact O-N 3.13Å |
| 98 | Q | 90.9 | Very high | 87.4 | Confident | 104 Ų | 104 | 93.6 Ų | 93.6 | 49% | 0.486 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.5 | -45.3 | 176.1 | -73.7 | 175.9 | -30.3 | 0 | 0 | 111.4 | Q94 T95 S101 Y102 | Q94-Q98 WeakPolarHBondContact O-CB 3.37Å; Q94-Q98 VanDerWaalsContact O-CG 3.3Å; Q94-Q98 WeakPolarHBondContact O-CG 3.38Å; Q94-Q98 PolarHBondContact O-N 2.94Å; T95-Q98 PolarHBondContact O-N 2.66Å; Q98-S101 WeakPolarHBondContact O-CB 3.47Å; Q98-S101 PolarHBondContact O-N 2.97Å; Q98-S101 PolarHBondContact O-OG 2.84Å; Q98-Y102 WeakPolarHBondContact O-CD2 3.37Å |
| 99 | Y | 88.1 | Confident | 87.6 | Confident | 169 Ų | 169 | 96 Ų | 96 | 66% | 0.663 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.7 | -42.7 | 176.3 | -90.7 | -83.8 | 0 | 0 | 0 | 112.7 | T95 A96 S101 Y102 | T95-Y99 HydrophobicContact CG2-CD2 3.84Å; T95-Y99 HydrophobicContact CG2-CE2 3.96Å; T95-Y99 WeakPolarHBondContact O-CD2 3.4Å; T95-Y99 PolarHBondContact O-N 3.49Å; A96-Y99 PolarHBondContact O-N 2.74Å; Y99-S101 PolarHBondContact O-N 3.39Å; Y99-Y102 PolarHBondContact O-N 3.09Å |
| 100 | S | 89.3 | Confident | 87.6 | Confident | 49 Ų | 49 | 97.2 Ų | 97.2 | 34% | 0.343 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.2 | -26.1 | 176.1 | 75.6 | 0 | 0 | 0 | 0 | 112.7 | A96 L97 Y102 I103 R104 | A96-S100 VanDerWaalsContact O-CB 3.26Å; A96-S100 WeakPolarHBondContact O-CB 3.48Å; A96-S100 PolarHBondContact O-N 3.31Å; A96-S100 PolarHBondContact O-OG 3.19Å; L97-S100 WeakPolarHBondContact CA-OG 3.44Å; L97-S100 PolarHBondContact O-N 2.99Å; L97-S100 PolarHBondContact O-OG 3.43Å; S100-Y102 VanDerWaalsContact C-N 3.31Å; S100-Y102 PolarHBondContact O-N 3.39Å; S100-I103 PolarHBondContact O-N 3.37Å; S100-R104 WeakPolarHBondContact O-CB 3.44Å; S100-R104 PolarHBondContact O-N 3.03Å |
| 101 | S | 85.6 | Confident | 87.7 | Confident | 46 Ų | 46 | 96.9 Ų | 96.9 | 32% | 0.322 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.7 | -33.6 | 178.5 | 81.3 | 0 | 0 | 0 | 0 | 112.6 | L97 Q98 Y99 R104 A105 | L97-S101 WeakPolarHBondContact O-CB 3.47Å; L97-S101 PolarHBondContact O-N 3.13Å; Q98-S101 WeakPolarHBondContact O-CB 3.47Å; Q98-S101 PolarHBondContact O-N 2.97Å; Q98-S101 PolarHBondContact O-OG 2.84Å; Y99-S101 PolarHBondContact O-N 3.39Å; S101-R104 PolarHBondContact O-N 3.37Å; S101-A105 VanDerWaalsContact O-CB 3.3Å; S101-A105 WeakPolarHBondContact O-CB 3.37Å; S101-A105 PolarHBondContact O-N 2.93Å |
| 102 | Y | 82 | Confident | 87.8 | Confident | 171 Ų | 171 | 99.1 Ų | 99.1 | 67% | 0.671 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.9 | -43.2 | 175.7 | -70.7 | -69.6 | 0 | 0 | 0 | 111.9 | Q98 Y99 S100 | Q98-Y102 WeakPolarHBondContact O-CD2 3.37Å; Y99-Y102 PolarHBondContact O-N 3.09Å; S100-Y102 VanDerWaalsContact C-N 3.31Å; S100-Y102 PolarHBondContact O-N 3.39Å |
| 103 | I | 81 | Confident | 87.9 | Confident | 121 Ų | 121 | 97.8 Ų | 97.8 | 62% | 0.621 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -69.8 | -42 | 178 | -59.5 | 176.4 | 0 | 0 | 0 | 110.4 | S100 A105 T106 A107 | S100-I103 PolarHBondContact O-N 3.37Å; I103-A105 VanDerWaalsContact C-N 3.27Å; I103-A105 PolarHBondContact O-N 3.15Å; I103-T106 PolarHBondContact O-N 3.35Å; I103-T106 PolarHBondContact O-OG1 2.78Å; I103-A107 WeakPolarHBondContact O-CB 3.46Å; I103-A107 PolarHBondContact O-N 3.33Å |
| 104 | R | 77.1 | Confident | 88.1 | Confident | 173 Ų | 173 | 96.6 Ų | 96.6 | 65% | 0.653 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -67.1 | -29.9 | -179.4 | -162.6 | 174.1 | 69.9 | -129.7 | 1.8 | 112.6 | S100 S101 | S100-R104 WeakPolarHBondContact O-CB 3.44Å; S100-R104 PolarHBondContact O-N 3.03Å; S101-R104 PolarHBondContact O-N 3.37Å |
| 105 | A | 73.4 | Confident | 88.2 | Confident | 78 Ų | 78 | 98 Ų | 98 | 65% | 0.645 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -67.8 | -33.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | S101 I103 | S101-A105 VanDerWaalsContact O-CB 3.3Å; S101-A105 WeakPolarHBondContact O-CB 3.37Å; S101-A105 PolarHBondContact O-N 2.93Å; I103-A105 VanDerWaalsContact C-N 3.27Å; I103-A105 PolarHBondContact O-N 3.15Å |
| 106 | T | 76 | Confident | 88.3 | Confident | 75 Ų | 75 | 102 Ų | 102 | 46% | 0.46 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -96.1 | -31.5 | -178.8 | 58.9 | 0 | 0 | 0 | 0 | 113.1 | I103 G108 E109 E110 | I103-T106 PolarHBondContact O-N 3.35Å; I103-T106 PolarHBondContact O-OG1 2.78Å; T106-G108 VanDerWaalsContact C-N 3.28Å; T106-G108 PolarHBondContact O-N 3.16Å; T106-E109 PolarHBondContact O-N 3.34Å; T106-E110 PolarHBondContact O-N 3.48Å |
| 107 | A | 84.7 | Confident | 88.5 | Confident | 27 Ų | 27 | 101.9 Ų | 101.9 | 22% | 0.223 | 52% | 0.521 | C | S | . | . | H | α-helix | trans | -61.8 | -32.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | I103 E109 I111 | I103-A107 WeakPolarHBondContact O-CB 3.46Å; I103-A107 PolarHBondContact O-N 3.33Å; A107-E109 PolarHBondContact O-N 3.33Å; A107-I111 HydrophobicContact CB-CD1 4.48Å; A107-I111 WeakPolarHBondContact O-CB 3.46Å; A107-I111 VanDerWaalsContact O-CD1 3.29Å; A107-I111 WeakPolarHBondContact O-CD1 3.38Å; A107-I111 WeakPolarHBondContact O-CG1 3.39Å; A107-I111 PolarHBondContact O-N 2.98Å |
| 108 | G | 86.8 | Confident | 88.8 | Confident | 34 Ų | 34 | 103 Ų | 103 | 35% | 0.351 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.6 | -40 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | T106 Q112 | T106-G108 VanDerWaalsContact C-N 3.28Å; T106-G108 PolarHBondContact O-N 3.16Å; G108-Q112 WeakPolarHBondContact O-CG 3.33Å; G108-Q112 PolarHBondContact O-N 3.38Å |
| 109 | E | 89.1 | Confident | 89.1 | Confident | 153 Ų | 153 | 103.8 Ų | 103.8 | 72% | 0.715 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -73.1 | -41.9 | 178.2 | -175.7 | 175.2 | -172.5 | 0 | 0 | 111.3 | T106 A107 I111 Q112 C113 | T106-E109 PolarHBondContact O-N 3.34Å; A107-E109 PolarHBondContact O-N 3.33Å; E109-I111 VanDerWaalsContact C-N 3.35Å; E109-I111 PolarHBondContact O-N 2.97Å; E109-Q112 PolarHBondContact O-N 2.9Å; E109-C113 WeakPolarHBondContact O-CB 3.44Å; E109-C113 PolarHBondContact O-N 3.32Å |
| 110 | E | 90.1 | Very high | 89.6 | Confident | 132 Ų | 132 | 99.9 Ų | 99.9 | 62% | 0.617 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62 | -41.6 | 176.5 | -68.2 | 178.8 | 163 | 0 | 0 | 112 | T106 C113 L114 | T106-E110 PolarHBondContact O-N 3.48Å; E110-C113 PolarHBondContact O-N 3.14Å; E110-L114 WeakPolarHBondContact O-CB 3.44Å; E110-L114 PolarHBondContact O-N 3.29Å |
| 111 | I | 92.4 | Very high | 90 | Very high | 91 Ų | 91 | 102.1 Ų | 102.1 | 47% | 0.467 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63 | -47.2 | 175.8 | -70.3 | 164.1 | 0 | 0 | 0 | 110.6 | A107 E109 C113 L114 E115 | A107-I111 HydrophobicContact CB-CD1 4.48Å; A107-I111 WeakPolarHBondContact O-CB 3.46Å; A107-I111 VanDerWaalsContact O-CD1 3.29Å; A107-I111 WeakPolarHBondContact O-CD1 3.38Å; A107-I111 WeakPolarHBondContact O-CG1 3.39Å; A107-I111 PolarHBondContact O-N 2.98Å; E109-I111 VanDerWaalsContact C-N 3.35Å; E109-I111 PolarHBondContact O-N 2.97Å; I111-C113 VanDerWaalsContact C-N 3.32Å; I111-C113 PolarHBondContact O-N 2.92Å; I111-L114 WeakPolarHBondContact O-CB 3.4Å; I111-L114 PolarHBondContact O-N 3.39Å; I111-E115 HydrophobicContact CG2-CG 4.38Å; I111-E115 WeakPolarHBondContact O-CG 3.49Å; I111-E115 PolarHBondContact O-N 3.33Å |
| 112 | Q | 93.8 | Very high | 90.7 | Very high | 132 Ų | 132 | 104 Ų | 104 | 62% | 0.617 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.5 | -38.2 | 178.5 | -74.7 | 173.3 | 32.4 | 0 | 0 | 112.5 | G108 E109 L114 E115 K116 | G108-Q112 WeakPolarHBondContact O-CG 3.33Å; G108-Q112 PolarHBondContact O-N 3.38Å; E109-Q112 PolarHBondContact O-N 2.9Å; Q112-L114 VanDerWaalsContact C-N 3.34Å; Q112-E115 PolarHBondContact O-N 2.92Å; Q112-K116 WeakPolarHBondContact O-CB 3.48Å; Q112-K116 PolarHBondContact O-N 3.29Å |
| 113 | C | 95.5 | Very high | 91.4 | Very high | 87 Ų | 87 | 99 Ų | 99 | 59% | 0.588 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62 | -43.4 | 174.8 | -173.6 | 0 | 0 | 0 | 0 | 111.2 | E109 E110 I111 K116 S117 | E109-C113 WeakPolarHBondContact O-CB 3.44Å; E109-C113 PolarHBondContact O-N 3.32Å; E110-C113 PolarHBondContact O-N 3.14Å; I111-C113 VanDerWaalsContact C-N 3.32Å; I111-C113 PolarHBondContact O-N 2.92Å; C113-K116 PolarHBondContact O-N 2.9Å; C113-S117 WeakPolarHBondContact O-CB 3.42Å; C113-S117 PolarHBondContact O-N 2.96Å |
| 114 | L | 96.7 | Very high | 92.3 | Very high | 121 Ų | 121 | 100 Ų | 100 | 63% | 0.634 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.2 | -45.3 | 175.9 | -179 | 64.3 | 0 | 0 | 0 | 112 | E110 I111 Q112 K116 S117 L118 | E110-L114 WeakPolarHBondContact O-CB 3.44Å; E110-L114 PolarHBondContact O-N 3.29Å; I111-L114 WeakPolarHBondContact O-CB 3.4Å; I111-L114 PolarHBondContact O-N 3.39Å; Q112-L114 VanDerWaalsContact C-N 3.34Å; L114-K116 VanDerWaalsContact C-N 3.33Å; L114-K116 PolarHBondContact O-N 3.45Å; L114-S117 PolarHBondContact O-N 3.03Å; L114-L118 WeakPolarHBondContact O-CB 3.48Å; L114-L118 PolarHBondContact O-N 3.34Å |
| 115 | E | 97.1 | Very high | 93.3 | Very high | 119 Ų | 119 | 95.5 Ų | 95.5 | 56% | 0.556 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -58.6 | -45.1 | 176.9 | -74 | 174.9 | 163.8 | 0 | 0 | 111.3 | I111 Q112 L118 E119 | I111-E115 HydrophobicContact CG2-CG 4.38Å; I111-E115 WeakPolarHBondContact O-CG 3.49Å; I111-E115 PolarHBondContact O-N 3.33Å; Q112-E115 PolarHBondContact O-N 2.92Å; E115-L118 PolarHBondContact O-N 3.1Å; E115-E119 PolarHBondContact O-N 3.05Å |
| 116 | K | 97.9 | Very high | 94.5 | Very high | 137 Ų | 137 | 97.5 Ų | 97.5 | 60% | 0.596 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.3 | -44.7 | 175.3 | -174.2 | -178 | 176.4 | -172.5 | 0 | 111.9 | Q112 C113 L114 L118 E119 E120 | Q112-K116 WeakPolarHBondContact O-CB 3.48Å; Q112-K116 PolarHBondContact O-N 3.29Å; C113-K116 PolarHBondContact O-N 2.9Å; L114-K116 VanDerWaalsContact C-N 3.33Å; L114-K116 PolarHBondContact O-N 3.45Å; K116-L118 VanDerWaalsContact C-N 3.26Å; K116-L118 PolarHBondContact O-N 3.12Å; K116-E119 PolarHBondContact O-N 2.96Å; K116-E120 WeakPolarHBondContact CE-OE1 3.49Å; K116-E120 WeakPolarHBondContact O-CG 3.44Å; K116-E120 PolarHBondContact O-N 2.86Å |
| 117 | S | 98.1 | Very high | 95.6 | Very high | 53 Ų | 53 | 99.4 Ų | 99.4 | 37% | 0.371 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.6 | -35.1 | 176.7 | -177.8 | 0 | 0 | 0 | 0 | 112.1 | C113 L114 M121 | C113-S117 WeakPolarHBondContact O-CB 3.42Å; C113-S117 PolarHBondContact O-N 2.96Å; L114-S117 PolarHBondContact O-N 3.03Å; S117-M121 WeakPolarHBondContact O-CB 3.3Å; S117-M121 VanDerWaalsContact O-CG 3.32Å; S117-M121 WeakPolarHBondContact O-CG 3.49Å; S117-M121 PolarHBondContact O-N 3.16Å |
| 118 | L | 98.4 | Very high | 96.2 | Very high | 90 Ų | 90 | 104 Ų | 104 | 47% | 0.471 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.7 | -45.9 | 176.7 | -179.8 | 63.9 | 0 | 0 | 0 | 110.9 | L114 E115 K116 E120 M121 L122 | L114-L118 WeakPolarHBondContact O-CB 3.48Å; L114-L118 PolarHBondContact O-N 3.34Å; E115-L118 PolarHBondContact O-N 3.1Å; K116-L118 VanDerWaalsContact C-N 3.26Å; K116-L118 PolarHBondContact O-N 3.12Å; L118-E120 VanDerWaalsContact C-N 3.33Å; L118-E120 PolarHBondContact O-N 3.36Å; L118-M121 HydrophobicContact CD1-CE 4.25Å; L118-M121 PolarHBondContact O-N 3.43Å; L118-M121 VanDerWaalsContact O-N 3.13Å; L118-L122 HydrophobicContact CD1-CG 4.41Å; L118-L122 HydrophobicContact CG-CD1 4.18Å; L118-L122 HydrophobicContact CG-CG 4.46Å; L118-L122 WeakPolarHBondContact O-CG 3.43Å; L118-L122 PolarHBondContact O-N 2.87Å |
| 119 | E | 98.4 | Very high | 96.8 | Very high | 121 Ų | 121 | 105.8 Ų | 105.8 | 57% | 0.565 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -59.9 | -43.7 | 177 | -171.3 | 62 | -148.4 | 0 | 0 | 111.6 | E115 K116 M121 L122 T123 | E115-E119 PolarHBondContact O-N 3.05Å; K116-E119 PolarHBondContact O-N 2.96Å; E119-M121 VanDerWaalsContact C-N 3.32Å; E119-M121 PolarHBondContact O-N 3.26Å; E119-L122 PolarHBondContact O-N 2.69Å; E119-T123 WeakPolarHBondContact O-CB 3.49Å; E119-T123 PolarHBondContact O-N 2.96Å; E119-T123 PolarHBondContact O-OG1 3.01Å |
| 120 | E | 98.4 | Very high | 97.2 | Very high | 88 Ų | 88 | 100.1 Ų | 100.1 | 41% | 0.411 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.7 | -40.1 | 174.6 | -72.9 | 178.6 | -166.4 | 0 | 0 | 111.8 | K116 L118 R124 | K116-E120 WeakPolarHBondContact CE-OE1 3.49Å; K116-E120 WeakPolarHBondContact O-CG 3.44Å; K116-E120 PolarHBondContact O-N 2.86Å; L118-E120 VanDerWaalsContact C-N 3.33Å; L118-E120 PolarHBondContact O-N 3.36Å; E120-R124 WeakPolarHBondContact O-CG 3.33Å; E120-R124 PolarHBondContact O-N 3.4Å |
| 121 | M | 98.6 | Very high | 97.6 | Very high | 95 Ų | 95 | 97.7 Ų | 97.7 | 47% | 0.468 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.2 | -41.6 | 176 | -77.4 | -172.3 | -62.8 | 0 | 0 | 112.3 | S117 L118 E119 R124 V125 | S117-M121 WeakPolarHBondContact O-CB 3.3Å; S117-M121 VanDerWaalsContact O-CG 3.32Å; S117-M121 WeakPolarHBondContact O-CG 3.49Å; S117-M121 PolarHBondContact O-N 3.16Å; L118-M121 HydrophobicContact CD1-CE 4.25Å; L118-M121 PolarHBondContact O-N 3.43Å; L118-M121 VanDerWaalsContact O-N 3.13Å; E119-M121 VanDerWaalsContact C-N 3.32Å; E119-M121 PolarHBondContact O-N 3.26Å; M121-R124 PolarHBondContact O-N 3.07Å; M121-V125 WeakPolarHBondContact O-CG2 3.49Å; M121-V125 PolarHBondContact O-N 3.05Å |
| 122 | L | 98.5 | Very high | 97.9 | Very high | 87 Ų | 87 | 98.7 Ų | 98.7 | 46% | 0.455 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.5 | -44.6 | 176.7 | -70.6 | 173.1 | 0 | 0 | 0 | 110.9 | L118 E119 R124 V125 D126 | L118-L122 HydrophobicContact CD1-CG 4.41Å; L118-L122 HydrophobicContact CG-CD1 4.18Å; L118-L122 HydrophobicContact CG-CG 4.46Å; L118-L122 WeakPolarHBondContact O-CG 3.43Å; L118-L122 PolarHBondContact O-N 2.87Å; E119-L122 PolarHBondContact O-N 2.69Å; L122-R124 VanDerWaalsContact C-N 3.32Å; L122-R124 PolarHBondContact O-N 2.92Å; L122-V125 WeakPolarHBondContact O-CB 3.46Å; L122-V125 PolarHBondContact O-N 3.33Å; L122-V125 VanDerWaalsContact O-N 3.1Å; L122-D126 PolarHBondContact O-N 3.08Å |
| 123 | T | 98.5 | Very high | 98.1 | Very high | 64 Ų | 64 | 97 Ų | 97 | 39% | 0.393 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -56.8 | -46.5 | 174.1 | -56.9 | 0 | 0 | 0 | 0 | 111.2 | E119 V125 D126 E127 | E119-T123 WeakPolarHBondContact O-CB 3.49Å; E119-T123 PolarHBondContact O-N 2.96Å; E119-T123 PolarHBondContact O-OG1 3.01Å; T123-V125 VanDerWaalsContact C-N 3.32Å; T123-V125 PolarHBondContact O-N 3.36Å; T123-D126 PolarHBondContact O-N 3.2Å; T123-E127 WeakPolarHBondContact O-CG 3.44Å; T123-E127 PolarHBondContact O-N 3.06Å |
| 124 | R | 98.5 | Very high | 98.3 | Very high | 142 Ų | 142 | 98.2 Ų | 98.2 | 54% | 0.536 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.3 | -36.9 | 177 | -73.9 | -177.9 | -169.6 | 165.9 | 9.1 | 112.6 | E120 M121 L122 D126 E127 F128 | E120-R124 WeakPolarHBondContact O-CG 3.33Å; E120-R124 PolarHBondContact O-N 3.4Å; M121-R124 PolarHBondContact O-N 3.07Å; L122-R124 VanDerWaalsContact C-N 3.32Å; L122-R124 PolarHBondContact O-N 2.92Å; R124-D126 VanDerWaalsContact C-N 3.33Å; R124-E127 PolarHBondContact O-N 3.13Å; R124-F128 HydrophobicContact CB-CE2 4.31Å; R124-F128 WeakPolarHBondContact O-CD2 3.38Å; R124-F128 WeakPolarHBondContact O-CG 3.46Å; R124-F128 PolarHBondContact O-N 3.03Å |
| 125 | V | 98.8 | Very high | 98.3 | Very high | 80 Ų | 80 | 97.2 Ų | 97.2 | 49% | 0.485 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.6 | -43 | 176.1 | 168.6 | 0 | 0 | 0 | 0 | 110.6 | M121 L122 T123 E127 F128 V129 | M121-V125 WeakPolarHBondContact O-CG2 3.49Å; M121-V125 PolarHBondContact O-N 3.05Å; L122-V125 WeakPolarHBondContact O-CB 3.46Å; L122-V125 PolarHBondContact O-N 3.33Å; L122-V125 VanDerWaalsContact O-N 3.1Å; T123-V125 VanDerWaalsContact C-N 3.32Å; T123-V125 PolarHBondContact O-N 3.36Å; V125-E127 VanDerWaalsContact C-N 3.33Å; V125-E127 PolarHBondContact O-N 3.13Å; V125-F128 WeakPolarHBondContact O-CB 3.37Å; V125-F128 PolarHBondContact O-N 2.99Å; V125-V129 WeakPolarHBondContact O-CG2 3.46Å; V125-V129 PolarHBondContact O-N 3.35Å |
| 126 | D | 98.4 | Very high | 98.4 | Very high | 119 Ų | 119 | 100.2 Ų | 100.2 | 64% | 0.636 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.2 | -40.3 | 176.4 | -71.4 | -20.3 | 0 | 0 | 0 | 111.8 | L122 T123 R124 F128 V129 G130 | L122-D126 PolarHBondContact O-N 3.08Å; T123-D126 PolarHBondContact O-N 3.2Å; R124-D126 VanDerWaalsContact C-N 3.33Å; D126-F128 PolarHBondContact O-N 2.95Å; D126-V129 PolarHBondContact O-N 3.14Å; D126-G130 PolarHBondContact O-N 3.44Å |
| 127 | E | 98.5 | Very high | 98.4 | Very high | 115 Ų | 115 | 98.6 Ų | 98.6 | 54% | 0.537 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62 | -41.4 | 172.8 | -68.9 | 172.4 | 176.8 | 0 | 0 | 112.1 | T123 R124 V125 V129 G130 M131 | T123-E127 WeakPolarHBondContact O-CG 3.44Å; T123-E127 PolarHBondContact O-N 3.06Å; R124-E127 PolarHBondContact O-N 3.13Å; V125-E127 VanDerWaalsContact C-N 3.33Å; V125-E127 PolarHBondContact O-N 3.13Å; E127-V129 VanDerWaalsContact C-N 3.35Å; E127-V129 PolarHBondContact O-N 3.49Å; E127-G130 PolarHBondContact O-N 3.27Å; E127-M131 PolarHBondContact O-N 3.28Å |
| 128 | F | 98.6 | Very high | 98.4 | Very high | 124 Ų | 124 | 100.1 Ų | 100.1 | 54% | 0.544 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.9 | -40.4 | 175.6 | -78.3 | -60.8 | 0 | 0 | 0 | 112.2 | R124 V125 D126 G130 M131 L132 | R124-F128 HydrophobicContact CB-CE2 4.31Å; R124-F128 WeakPolarHBondContact O-CD2 3.38Å; R124-F128 WeakPolarHBondContact O-CG 3.46Å; R124-F128 PolarHBondContact O-N 3.03Å; V125-F128 WeakPolarHBondContact O-CB 3.37Å; V125-F128 PolarHBondContact O-N 2.99Å; D126-F128 PolarHBondContact O-N 2.95Å; F128-G130 VanDerWaalsContact C-N 3.33Å; F128-M131 HydrophobicContact CD1-CE 3.38Å; F128-M131 HydrophobicContact CE1-CE 3.69Å; F128-M131 HydrophobicContact CG-CE 4.15Å; F128-M131 PolarHBondContact O-N 2.97Å; F128-L132 WeakPolarHBondContact O-CG 3.43Å; F128-L132 PolarHBondContact O-N 3.26Å |
| 129 | V | 98.3 | Very high | 98.4 | Very high | 72 Ų | 72 | 99.5 Ų | 99.5 | 44% | 0.436 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.2 | -45.1 | 174.2 | 174 | 0 | 0 | 0 | 0 | 110.1 | V125 D126 E127 M131 L132 D133 | V125-V129 WeakPolarHBondContact O-CG2 3.46Å; V125-V129 PolarHBondContact O-N 3.35Å; D126-V129 PolarHBondContact O-N 3.14Å; E127-V129 VanDerWaalsContact C-N 3.35Å; E127-V129 PolarHBondContact O-N 3.49Å; V129-M131 VanDerWaalsContact C-N 3.33Å; V129-M131 PolarHBondContact O-N 3.41Å; V129-L132 PolarHBondContact O-N 2.92Å; V129-L132 VanDerWaalsContact O-N 3.15Å; V129-D133 PolarHBondContact O-N 3.02Å |
| 130 | G | 98.3 | Very high | 98.4 | Very high | 33 Ų | 33 | 96 Ų | 96 | 34% | 0.34 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -57.8 | -43.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | D126 E127 F128 D133 M134 | D126-G130 PolarHBondContact O-N 3.44Å; E127-G130 PolarHBondContact O-N 3.27Å; F128-G130 VanDerWaalsContact C-N 3.33Å; G130-D133 PolarHBondContact O-N 2.88Å; G130-M134 WeakPolarHBondContact O-CG 3.34Å; G130-M134 PolarHBondContact O-N 3.24Å |
| 131 | M | 98.5 | Very high | 98.3 | Very high | 81 Ų | 81 | 95.9 Ų | 95.9 | 40% | 0.399 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.5 | -39.4 | 175.2 | -72 | -171.2 | -75.6 | 0 | 0 | 113 | E127 F128 V129 D133 M134 I135 | E127-M131 PolarHBondContact O-N 3.28Å; F128-M131 HydrophobicContact CD1-CE 3.38Å; F128-M131 HydrophobicContact CE1-CE 3.69Å; F128-M131 HydrophobicContact CG-CE 4.15Å; F128-M131 PolarHBondContact O-N 2.97Å; V129-M131 VanDerWaalsContact C-N 3.33Å; V129-M131 PolarHBondContact O-N 3.41Å; M131-D133 VanDerWaalsContact C-N 3.34Å; M131-M134 HydrophobicContact CB-CE 4.27Å; M131-M134 HydrophobicContact CG-CE 3.84Å; M131-M134 PolarHBondContact O-N 3.44Å; M131-I135 VanDerWaalsContact O-CG1 3.28Å; M131-I135 WeakPolarHBondContact O-CG1 3.45Å; M131-I135 PolarHBondContact O-N 2.93Å |
| 132 | L | 98.5 | Very high | 98.3 | Very high | 112 Ų | 112 | 95.2 Ų | 95.2 | 59% | 0.586 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.5 | -39.9 | 176.4 | -73.6 | 173.9 | 0 | 0 | 0 | 112 | F128 V129 I135 R136 | F128-L132 WeakPolarHBondContact O-CG 3.43Å; F128-L132 PolarHBondContact O-N 3.26Å; V129-L132 PolarHBondContact O-N 2.92Å; V129-L132 VanDerWaalsContact O-N 3.15Å; L132-I135 PolarHBondContact O-N 3.48Å; L132-R136 VanDerWaalsContact O-CB 3.27Å; L132-R136 WeakPolarHBondContact O-CB 3.16Å; L132-R136 PolarHBondContact O-N 2.96Å |
| 133 | D | 98.3 | Very high | 98.3 | Very high | 96 Ų | 96 | 94.7 Ų | 94.7 | 51% | 0.513 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.8 | -40.2 | 176.7 | -77.6 | -20.9 | 0 | 0 | 0 | 111.6 | V129 G130 M131 R136 N137 | V129-D133 PolarHBondContact O-N 3.02Å; G130-D133 PolarHBondContact O-N 2.88Å; M131-D133 VanDerWaalsContact C-N 3.34Å; D133-R136 PolarHBondContact O-N 2.74Å; D133-N137 WeakPolarHBondContact O-CB 3.47Å; D133-N137 PolarHBondContact O-N 3.4Å |
| 134 | M | 98.4 | Very high | 98.3 | Very high | 113 Ų | 113 | 97.1 Ų | 97.1 | 56% | 0.557 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59.9 | -51.3 | 172.1 | -71 | -171 | -64.2 | 0 | 0 | 111.5 | G130 M131 R136 N137 D138 | G130-M134 WeakPolarHBondContact O-CG 3.34Å; G130-M134 PolarHBondContact O-N 3.24Å; M131-M134 HydrophobicContact CB-CE 4.27Å; M131-M134 HydrophobicContact CG-CE 3.84Å; M131-M134 PolarHBondContact O-N 3.44Å; M134-R136 VanDerWaalsContact C-N 3.27Å; M134-R136 PolarHBondContact O-N 3.28Å; M134-N137 PolarHBondContact O-N 2.89Å; M134-N137 VanDerWaalsContact O-N 3.16Å; M134-D138 WeakPolarHBondContact O-CB 3.29Å; M134-D138 VanDerWaalsContact O-CG 3.31Å; M134-D138 PolarHBondContact O-N 2.73Å |
| 135 | I | 98.2 | Very high | 98.2 | Very high | 100 Ų | 100 | 94.8 Ų | 94.8 | 51% | 0.513 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.8 | -42 | 178.9 | -68.7 | 165.3 | 0 | 0 | 0 | 110.8 | M131 L132 D138 T139 | M131-I135 VanDerWaalsContact O-CG1 3.28Å; M131-I135 WeakPolarHBondContact O-CG1 3.45Å; M131-I135 PolarHBondContact O-N 2.93Å; L132-I135 PolarHBondContact O-N 3.48Å; I135-D138 PolarHBondContact O-N 3Å; I135-T139 VanDerWaalsContact O-CB 3.24Å; I135-T139 WeakPolarHBondContact O-CB 3.16Å; I135-T139 PolarHBondContact O-N 3.12Å; I135-T139 PolarHBondContact O-OG1 2.9Å |
| 136 | R | 98.3 | Very high | 98.1 | Very high | 182 Ų | 182 | 93.9 Ų | 93.9 | 69% | 0.687 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.1 | -43.4 | 178.7 | -176.3 | -179.4 | 178.6 | -177.7 | 0.2 | 111.4 | L132 D133 M134 S140 | L132-R136 VanDerWaalsContact O-CB 3.27Å; L132-R136 WeakPolarHBondContact O-CB 3.16Å; L132-R136 PolarHBondContact O-N 2.96Å; D133-R136 PolarHBondContact O-N 2.74Å; M134-R136 VanDerWaalsContact C-N 3.27Å; M134-R136 PolarHBondContact O-N 3.28Å; R136-S140 WeakPolarHBondContact O-CB 3.29Å; R136-S140 PolarHBondContact O-N 2.84Å; R136-S140 PolarHBondContact O-OG 3.36Å |
| 137 | N | 98.3 | Very high | 98.1 | Very high | 103 Ų | 103 | 92.2 Ų | 92.2 | 55% | 0.551 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -64 | -47.9 | 177 | -176.2 | 68.8 | 0 | 0 | 0 | 111.2 | D133 M134 T139 S140 Q141 | D133-N137 WeakPolarHBondContact O-CB 3.47Å; D133-N137 PolarHBondContact O-N 3.4Å; M134-N137 PolarHBondContact O-N 2.89Å; M134-N137 VanDerWaalsContact O-N 3.16Å; N137-T139 PolarHBondContact O-N 2.94Å; N137-S140 WeakPolarHBondContact O-CB 3.47Å; N137-S140 PolarHBondContact O-N 3.35Å; N137-S140 VanDerWaalsContact O-N 3.12Å; N137-Q141 PolarHBondContact O-N 3.11Å |
| 138 | D | 98.1 | Very high | 98.1 | Very high | 86 Ų | 86 | 89.6 Ų | 89.6 | 46% | 0.46 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62 | -44 | 178.9 | -70.2 | -1.9 | 0 | 0 | 0 | 111.3 | M134 I135 S140 Q141 V142 | M134-D138 WeakPolarHBondContact O-CB 3.29Å; M134-D138 VanDerWaalsContact O-CG 3.31Å; M134-D138 PolarHBondContact O-N 2.73Å; I135-D138 PolarHBondContact O-N 3Å; D138-S140 VanDerWaalsContact C-N 3.3Å; D138-S140 PolarHBondContact O-N 2.86Å; D138-Q141 PolarHBondContact O-N 3.42Å; D138-V142 WeakPolarHBondContact O-CG2 3.46Å; D138-V142 PolarHBondContact O-N 3.25Å |
| 139 | T | 98.1 | Very high | 98.1 | Very high | 77 Ų | 77 | 89.2 Ų | 89.2 | 47% | 0.472 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -60 | -44 | 174.8 | -58.4 | 0 | 0 | 0 | 0 | 110.6 | I135 N137 Q141 V142 V143 | I135-T139 VanDerWaalsContact O-CB 3.24Å; I135-T139 WeakPolarHBondContact O-CB 3.16Å; I135-T139 PolarHBondContact O-N 3.12Å; I135-T139 PolarHBondContact O-OG1 2.9Å; N137-T139 PolarHBondContact O-N 2.94Å; T139-Q141 VanDerWaalsContact C-N 3.33Å; T139-Q141 PolarHBondContact O-N 3.46Å; T139-V142 PolarHBondContact O-N 2.91Å; T139-V143 HydrophobicContact CG2-CG2 4.2Å; T139-V143 WeakPolarHBondContact O-CB 3.29Å; T139-V143 VanDerWaalsContact O-CG2 3.3Å; T139-V143 WeakPolarHBondContact O-CG2 3.3Å; T139-V143 PolarHBondContact O-N 3.36Å |
| 140 | S | 98 | Very high | 98.1 | Very high | 48 Ų | 48 | 91 Ų | 91 | 34% | 0.336 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.4 | -41.3 | 177.7 | -59.8 | 0 | 0 | 0 | 0 | 111.3 | R136 N137 D138 N144 | R136-S140 WeakPolarHBondContact O-CB 3.29Å; R136-S140 PolarHBondContact O-N 2.84Å; R136-S140 PolarHBondContact O-OG 3.36Å; N137-S140 WeakPolarHBondContact O-CB 3.47Å; N137-S140 PolarHBondContact O-N 3.35Å; N137-S140 VanDerWaalsContact O-N 3.12Å; D138-S140 VanDerWaalsContact C-N 3.3Å; D138-S140 PolarHBondContact O-N 2.86Å; S140-N144 WeakPolarHBondContact O-CB 3.36Å; S140-N144 PolarHBondContact O-N 3.31Å; S140-N144 PolarHBondContact O-ND2 3.38Å; S140-N144 VanDerWaalsContact O-ND2 3.11Å |
| 141 | Q | 97.7 | Very high | 98 | Very high | 85 Ų | 85 | 95 Ų | 95 | 40% | 0.397 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.7 | -45.3 | 176.8 | -166.6 | -175.3 | 23.8 | 0 | 0 | 111.7 | N137 D138 T139 E145 N146 | N137-Q141 PolarHBondContact O-N 3.11Å; D138-Q141 PolarHBondContact O-N 3.42Å; T139-Q141 VanDerWaalsContact C-N 3.33Å; T139-Q141 PolarHBondContact O-N 3.46Å; Q141-E145 WeakPolarHBondContact O-CA 3.24Å; Q141-E145 VanDerWaalsContact O-CB 3.29Å; Q141-E145 WeakPolarHBondContact O-CB 3.29Å; Q141-E145 PolarHBondContact O-N 3.44Å; Q141-N146 PolarHBondContact O-N 3.09Å; Q141-N146 VanDerWaalsContact O-N 3.09Å; Q141-N146 PolarHBondContact O-ND2 2.7Å |
| 142 | V | 98.1 | Very high | 98 | Very high | 81 Ų | 81 | 96.7 Ų | 96.7 | 49% | 0.491 | 50% | 0.495 | S | S | . | . | I | π-helix | trans | -61.9 | -49 | 178.4 | 170.9 | 0 | 0 | 0 | 0 | 111.1 | D138 T139 N146 L147 | D138-V142 WeakPolarHBondContact O-CG2 3.46Å; D138-V142 PolarHBondContact O-N 3.25Å; T139-V142 PolarHBondContact O-N 2.91Å; V142-N146 PolarHBondContact O-N 2.86Å; V142-L147 WeakPolarHBondContact O-CB 3.34Å; V142-L147 PolarHBondContact O-N 3.38Å |
| 143 | V | 98.2 | Very high | 98 | Very high | 76 Ų | 76 | 97.7 Ų | 97.7 | 46% | 0.461 | 49% | 0.494 | S | S | . | . | I | π-helix | trans | -74.5 | -43 | -174 | 173.5 | 0 | 0 | 0 | 0 | 112 | T139 P148 | T139-V143 HydrophobicContact CG2-CG2 4.2Å; T139-V143 WeakPolarHBondContact O-CB 3.29Å; T139-V143 VanDerWaalsContact O-CG2 3.3Å; T139-V143 WeakPolarHBondContact O-CG2 3.3Å; T139-V143 PolarHBondContact O-N 3.36Å; V143-P148 VanDerWaalsContact O-CD 3.29Å; V143-P148 WeakPolarHBondContact O-CD 3.15Å |
| 144 | N | 97.4 | Very high | 98 | Very high | 115 Ų | 115 | 95 Ų | 95 | 62% | 0.615 | 48% | 0.482 | S | S | * | . | I | π-helix | trans | -90.4 | -23.2 | -172.3 | -59 | -40.4 | 0 | 0 | 0 | 113.3 | S140 | S140-N144 WeakPolarHBondContact O-CB 3.36Å; S140-N144 PolarHBondContact O-N 3.31Å; S140-N144 PolarHBondContact O-ND2 3.38Å; S140-N144 VanDerWaalsContact O-ND2 3.11Å |
| 145 | E | 96.6 | Very high | 98 | Very high | 93 Ų | 93 | 93.6 Ų | 93.6 | 44% | 0.435 | 48% | 0.478 | S | S | . | . | I | π-helix | trans | -116.6 | -56.8 | -177.4 | -54.6 | -177.5 | -169.8 | 0 | 0 | 112.8 | Q141 K149 | Q141-E145 WeakPolarHBondContact O-CA 3.24Å; Q141-E145 VanDerWaalsContact O-CB 3.29Å; Q141-E145 WeakPolarHBondContact O-CB 3.29Å; Q141-E145 PolarHBondContact O-N 3.44Å; E145-K149 WeakPolarHBondContact O-CB 3.47Å; E145-K149 VanDerWaalsContact O-CD 3.29Å; E145-K149 WeakPolarHBondContact O-CD 3.37Å; E145-K149 WeakPolarHBondContact O-CG 3.35Å; E145-K149 PolarHBondContact O-N 2.86Å; E145-K149 IonicContact OE2-NZ 2.69Å |
| 146 | N | 97.4 | Very high | 98 | Very high | 60 Ų | 60 | 92.2 Ų | 92.2 | 32% | 0.321 | 47% | 0.469 | S | S | . | . | I | π-helix | trans | -72.4 | -44.8 | -169.6 | -66.3 | -57.8 | 0 | 0 | 0 | 112.2 | Q141 V142 K149 I150 | Q141-N146 PolarHBondContact O-N 3.09Å; Q141-N146 VanDerWaalsContact O-N 3.09Å; Q141-N146 PolarHBondContact O-ND2 2.7Å; V142-N146 PolarHBondContact O-N 2.86Å; N146-K149 PolarHBondContact O-N 3.48Å; N146-I150 VanDerWaalsContact O-CG1 3.29Å; N146-I150 WeakPolarHBondContact O-CG1 3.39Å; N146-I150 PolarHBondContact O-N 2.91Å |
| 147 | L | 98.3 | Very high | 97.9 | Very high | 84 Ų | 84 | 87.7 Ų | 87.7 | 44% | 0.44 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.1 | -46.3 | -178.1 | -176.7 | 67.5 | 0 | 0 | 0 | 112.4 | V142 K149 I150 Q151 | V142-L147 WeakPolarHBondContact O-CB 3.34Å; V142-L147 PolarHBondContact O-N 3.38Å; L147-K149 PolarHBondContact O-N 2.86Å; L147-I150 PolarHBondContact O-N 2.84Å; L147-Q151 WeakPolarHBondContact O-CG 3.42Å; L147-Q151 PolarHBondContact O-N 3.21Å |
| 148 | P | 98 | Very high | 97.9 | Very high | 60 Ų | 60 | 88.1 Ų | 88.1 | 39% | 0.39 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -60.5 | -40.9 | 173.4 | -26.3 | 36.2 | 0 | 0 | 0 | 113.2 | V143 I150 Q151 Q152 | V143-P148 VanDerWaalsContact O-CD 3.29Å; V143-P148 WeakPolarHBondContact O-CD 3.15Å; P148-I150 VanDerWaalsContact C-N 3.34Å; P148-I150 PolarHBondContact O-N 3.25Å; P148-Q151 PolarHBondContact O-N 3.38Å; P148-Q152 WeakPolarHBondContact O-CB 3.37Å; P148-Q152 PolarHBondContact O-N 3.38Å |
| 149 | K | 98.2 | Very high | 97.8 | Very high | 116 Ų | 116 | 88.7 Ų | 88.7 | 50% | 0.504 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -61.2 | -41.8 | 176.2 | -72.6 | 168.6 | -172.4 | 169.3 | 0 | 111.8 | E145 N146 L147 Q152 K153 | E145-K149 WeakPolarHBondContact O-CB 3.47Å; E145-K149 VanDerWaalsContact O-CD 3.29Å; E145-K149 WeakPolarHBondContact O-CD 3.37Å; E145-K149 WeakPolarHBondContact O-CG 3.35Å; E145-K149 PolarHBondContact O-N 2.86Å; E145-K149 IonicContact OE2-NZ 2.69Å; N146-K149 PolarHBondContact O-N 3.48Å; L147-K149 PolarHBondContact O-N 2.86Å; K149-Q152 PolarHBondContact O-N 2.93Å; K149-K153 WeakPolarHBondContact O-CB 3.27Å; K149-K153 PolarHBondContact O-N 3.16Å |
| 150 | I | 98.4 | Very high | 97.8 | Very high | 110 Ų | 110 | 89.4 Ų | 89.4 | 56% | 0.564 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -64.7 | -43.2 | 176.3 | -68.4 | 164.8 | 0 | 0 | 0 | 110.6 | N146 L147 P148 K153 S154 | N146-I150 VanDerWaalsContact O-CG1 3.29Å; N146-I150 WeakPolarHBondContact O-CG1 3.39Å; N146-I150 PolarHBondContact O-N 2.91Å; L147-I150 PolarHBondContact O-N 2.84Å; P148-I150 VanDerWaalsContact C-N 3.34Å; P148-I150 PolarHBondContact O-N 3.25Å; I150-K153 PolarHBondContact O-N 2.92Å; I150-S154 WeakPolarHBondContact O-CB 3.48Å; I150-S154 PolarHBondContact O-N 3.15Å |
| 151 | Q | 97.9 | Very high | 97.7 | Very high | 117 Ų | 117 | 93 Ų | 93 | 55% | 0.547 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.3 | -48.3 | 176.5 | -73.8 | -170.8 | -6 | 0 | 0 | 111.7 | L147 P148 K153 S154 D155 | L147-Q151 WeakPolarHBondContact O-CG 3.42Å; L147-Q151 PolarHBondContact O-N 3.21Å; P148-Q151 PolarHBondContact O-N 3.38Å; Q151-K153 VanDerWaalsContact C-N 3.28Å; Q151-K153 PolarHBondContact O-N 2.97Å; Q151-S154 WeakPolarHBondContact O-CA 3.28Å; Q151-S154 VanDerWaalsContact O-CB 3.3Å; Q151-S154 WeakPolarHBondContact O-CB 3.41Å; Q151-S154 PolarHBondContact O-N 3.06Å; Q151-S154 VanDerWaalsContact O-N 3.08Å; Q151-D155 PolarHBondContact O-N 3.36Å |
| 152 | Q | 98.2 | Very high | 97.7 | Very high | 117 Ų | 117 | 96 Ų | 96 | 55% | 0.547 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -54.9 | -46.2 | 175 | -179.9 | -177 | -7.2 | 0 | 0 | 111 | P148 K149 S154 D155 E156 | P148-Q152 WeakPolarHBondContact O-CB 3.37Å; P148-Q152 PolarHBondContact O-N 3.38Å; K149-Q152 PolarHBondContact O-N 2.93Å; Q152-S154 VanDerWaalsContact C-N 3.3Å; Q152-S154 PolarHBondContact O-N 3.28Å; Q152-D155 PolarHBondContact O-N 3.5Å; Q152-D155 VanDerWaalsContact O-N 3.14Å; Q152-E156 PolarHBondContact O-N 3.48Å |
| 153 | K | 98.1 | Very high | 97.6 | Very high | 132 Ų | 132 | 99.6 Ų | 99.6 | 57% | 0.574 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -65.9 | -34.6 | 179.5 | -165.7 | 52.8 | 167.9 | 179.4 | 0 | 112.8 | K149 I150 Q151 D155 E156 M157 | K149-K153 WeakPolarHBondContact O-CB 3.27Å; K149-K153 PolarHBondContact O-N 3.16Å; I150-K153 PolarHBondContact O-N 2.92Å; Q151-K153 VanDerWaalsContact C-N 3.28Å; Q151-K153 PolarHBondContact O-N 2.97Å; K153-D155 VanDerWaalsContact C-N 3.33Å; K153-E156 HydrophobicContact CD-CB 4.48Å; K153-E156 WeakPolarHBondContact CD-OE2 3.47Å; K153-E156 IonicContact NZ-OE2 3.88Å; K153-E156 PolarHBondContact NZ-OE2 3Å; K153-M157 WeakPolarHBondContact O-CB 3.47Å; K153-M157 PolarHBondContact O-N 3.23Å |
| 154 | S | 98.1 | Very high | 97.5 | Very high | 39 Ų | 39 | 100.1 Ų | 100.1 | 27% | 0.273 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.7 | -38.6 | 172.9 | -172.1 | 0 | 0 | 0 | 0 | 111.8 | I150 Q151 Q152 M157 R158 | I150-S154 WeakPolarHBondContact O-CB 3.48Å; I150-S154 PolarHBondContact O-N 3.15Å; Q151-S154 WeakPolarHBondContact O-CA 3.28Å; Q151-S154 VanDerWaalsContact O-CB 3.3Å; Q151-S154 WeakPolarHBondContact O-CB 3.41Å; Q151-S154 PolarHBondContact O-N 3.06Å; Q151-S154 VanDerWaalsContact O-N 3.08Å; Q152-S154 VanDerWaalsContact C-N 3.3Å; Q152-S154 PolarHBondContact O-N 3.28Å; S154-M157 WeakPolarHBondContact O-CB 2.97Å; S154-M157 PolarHBondContact O-N 3.49Å; S154-R158 PolarHBondContact O-N 3.38Å; S154-R158 PolarHBondContact OG-NH2 3.1Å |
| 155 | D | 97.8 | Very high | 97.4 | Very high | 85 Ų | 85 | 99.1 Ų | 99.1 | 46% | 0.455 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -70.2 | -41.1 | 177 | -71.6 | -28.7 | 0 | 0 | 0 | 112.9 | Q151 Q152 K153 M157 R158 Q159 | Q151-D155 PolarHBondContact O-N 3.36Å; Q152-D155 PolarHBondContact O-N 3.5Å; Q152-D155 VanDerWaalsContact O-N 3.14Å; K153-D155 VanDerWaalsContact C-N 3.33Å; D155-M157 VanDerWaalsContact C-N 3.27Å; D155-M157 PolarHBondContact O-N 3.3Å; D155-R158 WeakPolarHBondContact O-CB 3.36Å; D155-R158 PolarHBondContact O-N 2.96Å; D155-R158 IonicContact OD1-CZ 2.92Å; D155-R158 IonicContact OD1-NE 2.74Å; D155-R158 PolarHBondContact OD1-NE 3.39Å; D155-R158 IonicContact OD1-NH2 3.22Å; D155-R158 PolarHBondContact OD1-NH2 3.07Å; D155-Q159 PolarHBondContact O-N 2.95Å |
| 156 | E | 97.8 | Very high | 97.3 | Very high | 71 Ų | 71 | 101.2 Ų | 101.2 | 33% | 0.332 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -56.4 | -44.8 | 170.4 | -71 | 173.4 | -163.5 | 0 | 0 | 110.8 | Q152 K153 R158 Q159 I160 | Q152-E156 PolarHBondContact O-N 3.48Å; K153-E156 HydrophobicContact CD-CB 4.48Å; K153-E156 WeakPolarHBondContact CD-OE2 3.47Å; K153-E156 IonicContact NZ-OE2 3.88Å; K153-E156 PolarHBondContact NZ-OE2 3Å; E156-R158 PolarHBondContact O-N 3.32Å; E156-Q159 WeakPolarHBondContact O-CB 3.49Å; E156-Q159 PolarHBondContact O-N 3.28Å; E156-Q159 VanDerWaalsContact O-N 3.13Å; E156-I160 WeakPolarHBondContact O-CG1 3.35Å; E156-I160 PolarHBondContact O-N 3.03Å |
| 157 | M | 98.2 | Very high | 97.2 | Very high | 86 Ų | 86 | 102.5 Ų | 102.5 | 42% | 0.424 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.3 | -41.9 | 177.4 | -169.7 | 173.9 | 67.4 | 0 | 0 | 111.9 | K153 S154 D155 Q159 I160 Y161 | K153-M157 WeakPolarHBondContact O-CB 3.47Å; K153-M157 PolarHBondContact O-N 3.23Å; S154-M157 WeakPolarHBondContact O-CB 2.97Å; S154-M157 PolarHBondContact O-N 3.49Å; D155-M157 VanDerWaalsContact C-N 3.27Å; D155-M157 PolarHBondContact O-N 3.3Å; M157-Q159 VanDerWaalsContact C-N 3.27Å; M157-Q159 PolarHBondContact O-N 2.94Å; M157-I160 WeakPolarHBondContact O-CB 3.5Å; M157-I160 PolarHBondContact O-N 3.23Å; M157-I160 VanDerWaalsContact O-N 3.13Å; M157-Y161 HydrophobicContact CE-CE2 4.09Å; M157-Y161 HydrophobicContact CG-CD2 4.29Å; M157-Y161 HydrophobicContact CG-CE2 3.61Å; M157-Y161 WeakPolarHBondContact O-CD2 3.48Å; M157-Y161 PolarHBondContact O-N 3.17Å; M157-Y161 HydrophobicContact SD-CE2 4.16Å |
| 158 | R | 97.3 | Very high | 97.1 | Very high | 112 Ų | 112 | 104.9 Ų | 104.9 | 42% | 0.423 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -58.8 | -37.7 | 172.2 | -81 | -175 | -91.9 | -102.6 | 0.2 | 112.2 | S154 D155 E156 I160 Y161 R162 | S154-R158 PolarHBondContact O-N 3.38Å; S154-R158 PolarHBondContact OG-NH2 3.1Å; D155-R158 WeakPolarHBondContact O-CB 3.36Å; D155-R158 PolarHBondContact O-N 2.96Å; D155-R158 IonicContact OD1-CZ 2.92Å; D155-R158 IonicContact OD1-NE 2.74Å; D155-R158 PolarHBondContact OD1-NE 3.39Å; D155-R158 IonicContact OD1-NH2 3.22Å; D155-R158 PolarHBondContact OD1-NH2 3.07Å; E156-R158 PolarHBondContact O-N 3.32Å; R158-I160 VanDerWaalsContact C-N 3.34Å; R158-Y161 PolarHBondContact O-N 3.02Å; R158-R162 WeakPolarHBondContact O-CG 3.49Å; R158-R162 PolarHBondContact O-N 3.4Å; R158-R162 VanDerWaalsContact O-N 3.12Å |
| 159 | Q | 96.6 | Very high | 96.9 | Very high | 99 Ų | 99 | 104.7 Ų | 104.7 | 46% | 0.463 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.5 | -39.9 | 176.2 | -167.6 | -175.5 | 15.5 | 0 | 0 | 111.5 | D155 E156 M157 R162 R163 | D155-Q159 PolarHBondContact O-N 2.95Å; E156-Q159 WeakPolarHBondContact O-CB 3.49Å; E156-Q159 PolarHBondContact O-N 3.28Å; E156-Q159 VanDerWaalsContact O-N 3.13Å; M157-Q159 VanDerWaalsContact C-N 3.27Å; M157-Q159 PolarHBondContact O-N 2.94Å; Q159-R162 PolarHBondContact O-N 3.47Å; Q159-R163 WeakPolarHBondContact O-CG 3.32Å; Q159-R163 PolarHBondContact O-N 3.35Å; Q159-R163 VanDerWaalsContact O-N 3.1Å |
| 160 | I | 96.8 | Very high | 96.6 | Very high | 92 Ų | 92 | 100.3 Ų | 100.3 | 47% | 0.472 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.2 | -46.5 | 175.2 | -64.9 | 167.6 | 0 | 0 | 0 | 110.4 | E156 M157 R158 R162 R163 I164 | E156-I160 WeakPolarHBondContact O-CG1 3.35Å; E156-I160 PolarHBondContact O-N 3.03Å; M157-I160 WeakPolarHBondContact O-CB 3.5Å; M157-I160 PolarHBondContact O-N 3.23Å; M157-I160 VanDerWaalsContact O-N 3.13Å; R158-I160 VanDerWaalsContact C-N 3.34Å; I160-R162 VanDerWaalsContact C-N 3.33Å; I160-R162 PolarHBondContact O-N 2.91Å; I160-R163 WeakPolarHBondContact O-CA 3.43Å; I160-R163 WeakPolarHBondContact O-CB 3.47Å; I160-R163 PolarHBondContact O-N 3.36Å; I160-I164 HydrophobicContact CG2-CD1 3.94Å; I160-I164 HydrophobicContact CG2-CG1 4.45Å; I160-I164 WeakPolarHBondContact O-CG1 3.37Å; I160-I164 PolarHBondContact O-N 3.24Å |
| 161 | Y | 97.6 | Very high | 96.4 | Very high | 124 Ų | 124 | 99.3 Ų | 99.3 | 49% | 0.486 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -58.2 | -43.5 | 176.9 | -65.6 | -44 | 0 | 0 | 0 | 112.5 | M157 R158 R163 I164 D165 | M157-Y161 HydrophobicContact CE-CE2 4.09Å; M157-Y161 HydrophobicContact CG-CD2 4.29Å; M157-Y161 HydrophobicContact CG-CE2 3.61Å; M157-Y161 WeakPolarHBondContact O-CD2 3.48Å; M157-Y161 PolarHBondContact O-N 3.17Å; M157-Y161 HydrophobicContact SD-CE2 4.16Å; R158-Y161 PolarHBondContact O-N 3.02Å; Y161-R163 VanDerWaalsContact C-N 3.25Å; Y161-R163 PolarHBondContact O-N 2.84Å; Y161-I164 HydrophobicContact CD1-CD1 4.26Å; Y161-I164 WeakPolarHBondContact O-CA 3.5Å; Y161-I164 WeakPolarHBondContact O-CB 3.49Å; Y161-I164 PolarHBondContact O-N 3.41Å; Y161-D165 VanDerWaalsContact O-CG 3.28Å; Y161-D165 PolarHBondContact O-N 3.32Å |
| 162 | R | 96.5 | Very high | 96.2 | Very high | 148 Ų | 148 | 101.3 Ų | 101.3 | 56% | 0.558 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -61 | -33.7 | 174.8 | -67.9 | -178.2 | -170.2 | 105.6 | -6.1 | 113.2 | R158 Q159 I160 K166 | R158-R162 WeakPolarHBondContact O-CG 3.49Å; R158-R162 PolarHBondContact O-N 3.4Å; R158-R162 VanDerWaalsContact O-N 3.12Å; Q159-R162 PolarHBondContact O-N 3.47Å; I160-R162 VanDerWaalsContact C-N 3.33Å; I160-R162 PolarHBondContact O-N 2.91Å; R162-K166 WeakPolarHBondContact O-CG 3.29Å; R162-K166 PolarHBondContact O-N 2.85Å; R162-K166 VanDerWaalsContact O-N 3.16Å |
| 163 | R | 95.5 | Very high | 95.8 | Very high | 155 Ų | 155 | 97.8 Ų | 97.8 | 59% | 0.585 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -69.5 | -38.7 | 175 | -69 | 178 | -175.5 | -173.2 | 3.8 | 111 | Q159 I160 Y161 L167 | Q159-R163 WeakPolarHBondContact O-CG 3.32Å; Q159-R163 PolarHBondContact O-N 3.35Å; Q159-R163 VanDerWaalsContact O-N 3.1Å; I160-R163 WeakPolarHBondContact O-CA 3.43Å; I160-R163 WeakPolarHBondContact O-CB 3.47Å; I160-R163 PolarHBondContact O-N 3.36Å; Y161-R163 VanDerWaalsContact C-N 3.25Å; Y161-R163 PolarHBondContact O-N 2.84Å; R163-L167 WeakPolarHBondContact O-CB 3.09Å; R163-L167 PolarHBondContact O-N 3.33Å |
| 164 | I | 96.3 | Very high | 95.5 | Very high | 87 Ų | 87 | 93 Ų | 93 | 45% | 0.446 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -63.1 | -47.7 | 174.8 | -65 | 167.6 | 0 | 0 | 0 | 110.2 | I160 Y161 K166 L167 E168 | I160-I164 HydrophobicContact CG2-CD1 3.94Å; I160-I164 HydrophobicContact CG2-CG1 4.45Å; I160-I164 WeakPolarHBondContact O-CG1 3.37Å; I160-I164 PolarHBondContact O-N 3.24Å; Y161-I164 HydrophobicContact CD1-CD1 4.26Å; Y161-I164 WeakPolarHBondContact O-CA 3.5Å; Y161-I164 WeakPolarHBondContact O-CB 3.49Å; Y161-I164 PolarHBondContact O-N 3.41Å; I164-K166 VanDerWaalsContact C-N 3.32Å; I164-K166 PolarHBondContact O-N 3.12Å; I164-L167 WeakPolarHBondContact O-CB 3.33Å; I164-L167 PolarHBondContact O-N 2.99Å; I164-E168 PolarHBondContact O-N 3.13Å |
| 165 | D | 95.9 | Very high | 95.2 | Very high | 95 Ų | 95 | 92.7 Ų | 92.7 | 51% | 0.508 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -59.1 | -42.5 | 179.1 | -62 | -23.1 | 0 | 0 | 0 | 112 | Y161 L167 E168 A169 | Y161-D165 VanDerWaalsContact O-CG 3.28Å; Y161-D165 PolarHBondContact O-N 3.32Å; D165-L167 VanDerWaalsContact C-N 3.34Å; D165-E168 PolarHBondContact O-N 2.99Å; D165-A169 WeakPolarHBondContact O-CB 3.44Å; D165-A169 PolarHBondContact O-N 3.45Å |
| 166 | K | 93.9 | Very high | 95 | Very high | 137 Ų | 137 | 92.9 Ų | 92.9 | 60% | 0.596 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -62.2 | -42.3 | 175.2 | -75.2 | -179.8 | 179.9 | -168.7 | 0 | 111.9 | R162 I164 A169 F170 | R162-K166 WeakPolarHBondContact O-CG 3.29Å; R162-K166 PolarHBondContact O-N 2.85Å; R162-K166 VanDerWaalsContact O-N 3.16Å; I164-K166 VanDerWaalsContact C-N 3.32Å; I164-K166 PolarHBondContact O-N 3.12Å; K166-A169 PolarHBondContact O-N 2.85Å; K166-F170 WeakPolarHBondContact O-CB 3.37Å; K166-F170 PolarHBondContact O-N 3.13Å |
| 167 | L | 96.1 | Very high | 94.6 | Very high | 87 Ų | 87 | 91.4 Ų | 91.4 | 46% | 0.455 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -65.3 | -42.5 | 177.8 | 179.4 | 63 | 0 | 0 | 0 | 111.3 | R163 I164 D165 F170 V171 F239 | R163-L167 WeakPolarHBondContact O-CB 3.09Å; R163-L167 PolarHBondContact O-N 3.33Å; I164-L167 WeakPolarHBondContact O-CB 3.33Å; I164-L167 PolarHBondContact O-N 2.99Å; D165-L167 VanDerWaalsContact C-N 3.34Å; L167-F170 WeakPolarHBondContact O-CB 3.4Å; L167-F170 PolarHBondContact O-N 3.44Å; L167-V171 HydrophobicContact CD1-CG2 4.33Å; L167-V171 WeakPolarHBondContact O-CG2 3.2Å; L167-V171 PolarHBondContact O-N 3.24Å; L167-F239 HydrophobicContact CB-CZ 4.48Å; L167-F239 HydrophobicContact CD1-CZ 3.82Å |
| 168 | E | 95.5 | Very high | 94.3 | Very high | 133 Ų | 133 | 90.4 Ų | 90.4 | 62% | 0.621 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -61.2 | -47.2 | 176.4 | -173.5 | -177.6 | 165.9 | 0 | 0 | 111.4 | I164 D165 F170 V171 K172 | I164-E168 PolarHBondContact O-N 3.13Å; D165-E168 PolarHBondContact O-N 2.99Å; E168-F170 VanDerWaalsContact C-N 3.3Å; E168-F170 PolarHBondContact O-N 2.9Å; E168-V171 PolarHBondContact O-N 3.03Å; E168-K172 WeakPolarHBondContact O-CB 3.4Å; E168-K172 PolarHBondContact O-N 3.22Å |
| 169 | A | 93.7 | Very high | 94 | Very high | 57 Ų | 57 | 88.5 Ų | 88.5 | 47% | 0.471 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -59.4 | -41.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | D165 K166 K172 M173 | D165-A169 WeakPolarHBondContact O-CB 3.44Å; D165-A169 PolarHBondContact O-N 3.45Å; K166-A169 PolarHBondContact O-N 2.85Å; A169-K172 PolarHBondContact O-N 2.92Å; A169-M173 PolarHBondContact O-N 3.31Å |
| 170 | F | 91.6 | Very high | 93.7 | Very high | 24 Ų | 24 | 85.9 Ų | 85.9 | 11% | 0.105 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -61.6 | -51.4 | 175.6 | 176.3 | -101.9 | 0 | 0 | 0 | 111.6 | K166 L167 E168 K172 M173 V174 F233 T235 Y238 F239 | K166-F170 WeakPolarHBondContact O-CB 3.37Å; K166-F170 PolarHBondContact O-N 3.13Å; L167-F170 WeakPolarHBondContact O-CB 3.4Å; L167-F170 PolarHBondContact O-N 3.44Å; E168-F170 VanDerWaalsContact C-N 3.3Å; E168-F170 PolarHBondContact O-N 2.9Å; F170-K172 VanDerWaalsContact C-N 3.28Å; F170-K172 PolarHBondContact O-N 3.03Å; F170-M173 HydrophobicContact CD2-CE 3.49Å; F170-M173 VanDerWaalsContact CD2-CE 3.49Å; F170-M173 HydrophobicContact CE2-CE 3.77Å; F170-M173 HydrophobicContact CG-CE 4.44Å; F170-M173 WeakPolarHBondContact O-CB 3.35Å; F170-M173 PolarHBondContact O-N 2.86Å; F170-M173 VanDerWaalsContact O-N 3.14Å; F170-V174 HydrophobicContact CD1-CG2 4.22Å; F170-V174 HydrophobicContact CD2-CG2 4.45Å; F170-V174 HydrophobicContact CE1-CG2 3.8Å; F170-V174 HydrophobicContact CE2-CG2 4.06Å; F170-V174 HydrophobicContact CZ-CG2 3.72Å; F170-V174 WeakPolarHBondContact O-CG2 3.22Å; F170-V174 PolarHBondContact O-N 3.39Å; F170-F233 AromaticContact CE2-CD2 3.84Å; F170-F233 HydrophobicContact CE2-CD2 3.84Å; F170-F233 HydrophobicContact CE2-CE2 4.15Å; F170-F233 AromaticContact CZ-CD2 3.84Å; F170-F233 HydrophobicContact CZ-CD2 3.84Å; F170-F233 AromaticContact CZ-CE2 3.66Å; F170-F233 HydrophobicContact CZ-CE2 3.66Å; F170-T235 HydrophobicContact CE1-CG2 4.44Å; F170-T235 HydrophobicContact CE2-CG2 4.34Å; F170-T235 HydrophobicContact CZ-CG2 3.83Å; F170-Y238 HydrophobicContact CB-CD1 4.33Å; F170-Y238 HydrophobicContact CD2-CD1 4.04Å; F170-Y238 AromaticContact CD2-CD2 3.84Å; F170-Y238 HydrophobicContact CD2-CD2 3.84Å; F170-Y238 AromaticContact CD2-CG 3.57Å; F170-Y238 HydrophobicContact CD2-CG 3.57Å; F170-Y238 HydrophobicContact CE2-CD2 4.15Å; F170-Y238 HydrophobicContact CE2-CG 4.25Å; F170-F239 HydrophobicContact CB-CE2 4.28Å; F170-F239 HydrophobicContact CB-CZ 4.38Å; F170-F239 AromaticContact CD1-CE2 3.89Å; F170-F239 HydrophobicContact CD1-CE2 3.89Å; F170-F239 HydrophobicContact CD1-CZ 4.42Å; F170-F239 HydrophobicContact CD2-CE2 4.19Å; F170-F239 HydrophobicContact CE1-CE2 4.26Å; F170-F239 AromaticContact CG-CE2 3.85Å; F170-F239 HydrophobicContact CG-CE2 3.85Å; F170-F239 HydrophobicContact CG-CZ 4.38Å |
| 171 | V | 94.6 | Very high | 93.3 | Very high | 89 Ų | 89 | 85.7 Ų | 85.7 | 54% | 0.539 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -58.5 | -41.3 | 178.8 | 170.8 | 0 | 0 | 0 | 0 | 111.3 | L167 E168 V174 G175 | L167-V171 HydrophobicContact CD1-CG2 4.33Å; L167-V171 WeakPolarHBondContact O-CG2 3.2Å; L167-V171 PolarHBondContact O-N 3.24Å; E168-V171 PolarHBondContact O-N 3.03Å; V171-V174 PolarHBondContact O-N 3.26Å; V171-G175 PolarHBondContact O-N 3.13Å |
| 172 | K | 94.5 | Very high | 93 | Very high | 158 Ų | 158 | 85.8 Ų | 85.8 | 69% | 0.687 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -61.1 | -46.1 | 176.5 | -173.3 | 175.7 | -177.9 | 176.7 | 0 | 111.8 | E168 A169 F170 G175 T176 | E168-K172 WeakPolarHBondContact O-CB 3.4Å; E168-K172 PolarHBondContact O-N 3.22Å; A169-K172 PolarHBondContact O-N 2.92Å; F170-K172 VanDerWaalsContact C-N 3.28Å; F170-K172 PolarHBondContact O-N 3.03Å; K172-G175 PolarHBondContact O-N 3.45Å; K172-T176 WeakPolarHBondContact O-CG2 3.45Å; K172-T176 PolarHBondContact O-N 2.99Å |
| 173 | M | 89.8 | Confident | 92.7 | Very high | 44 Ų | 44 | 85.6 Ų | 85.6 | 22% | 0.217 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -60.8 | -47.2 | 175.8 | 175.1 | -161.5 | 49.5 | 0 | 0 | 111.2 | A169 F170 G175 T176 N177 F233 Y238 | A169-M173 PolarHBondContact O-N 3.31Å; F170-M173 HydrophobicContact CD2-CE 3.49Å; F170-M173 VanDerWaalsContact CD2-CE 3.49Å; F170-M173 HydrophobicContact CE2-CE 3.77Å; F170-M173 HydrophobicContact CG-CE 4.44Å; F170-M173 WeakPolarHBondContact O-CB 3.35Å; F170-M173 PolarHBondContact O-N 2.86Å; F170-M173 VanDerWaalsContact O-N 3.14Å; M173-G175 VanDerWaalsContact C-N 3.28Å; M173-G175 PolarHBondContact O-N 3.2Å; M173-T176 WeakPolarHBondContact CA-OG1 3.27Å; M173-T176 PolarHBondContact O-N 3.05Å; M173-T176 VanDerWaalsContact O-N 3.09Å; M173-T176 PolarHBondContact O-OG1 3.24Å; M173-N177 PolarHBondContact O-N 3.14Å; M173-F233 HydrophobicContact CE-CB 4.15Å; M173-F233 HydrophobicContact CE-CG 4.48Å; M173-F233 HydrophobicContact SD-CB 4.44Å; M173-Y238 HydrophobicContact CE-CD1 4.47Å; M173-Y238 HydrophobicContact CE-CD2 3.79Å; M173-Y238 HydrophobicContact CE-CE1 4.03Å; M173-Y238 HydrophobicContact CE-CE2 3.28Å; M173-Y238 HydrophobicContact CE-CG 4.37Å; M173-Y238 VanDerWaalsContact CE-CZ 3.44Å; M173-Y238 HydrophobicContact SD-CE1 4.33Å; M173-Y238 HydrophobicContact SD-CE2 3.57Å; M173-Y238 VanDerWaalsContact SD-CE2 3.57Å; M173-Y238 PolarHBondContact SD-OH 2.84Å |
| 174 | V | 91.8 | Very high | 92.3 | Very high | 30 Ų | 30 | 82.8 Ų | 82.8 | 18% | 0.182 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -56.4 | -45.3 | 176.6 | 172.9 | 0 | 0 | 0 | 0 | 110.8 | F170 V171 T176 N177 V178 F233 | F170-V174 HydrophobicContact CD1-CG2 4.22Å; F170-V174 HydrophobicContact CD2-CG2 4.45Å; F170-V174 HydrophobicContact CE1-CG2 3.8Å; F170-V174 HydrophobicContact CE2-CG2 4.06Å; F170-V174 HydrophobicContact CZ-CG2 3.72Å; F170-V174 WeakPolarHBondContact O-CG2 3.22Å; F170-V174 PolarHBondContact O-N 3.39Å; V171-V174 PolarHBondContact O-N 3.26Å; V174-T176 PolarHBondContact O-N 2.92Å; V174-N177 PolarHBondContact O-N 2.95Å; V174-V178 HydrophobicContact CG1-CG2 4.31Å; V174-V178 WeakPolarHBondContact O-CG2 3.38Å; V174-V178 PolarHBondContact O-N 3.38Å; V174-F233 HydrophobicContact CB-CE1 4.07Å; V174-F233 HydrophobicContact CB-CE2 4.47Å; V174-F233 HydrophobicContact CB-CZ 4.01Å; V174-F233 HydrophobicContact CG1-CE1 3.66Å; V174-F233 HydrophobicContact CG1-CE2 4.38Å; V174-F233 HydrophobicContact CG1-CZ 3.53Å; V174-F233 HydrophobicContact CG2-CD1 4.08Å; V174-F233 HydrophobicContact CG2-CD2 3.74Å; V174-F233 HydrophobicContact CG2-CE1 3.73Å; V174-F233 HydrophobicContact CG2-CE2 3.36Å; V174-F233 HydrophobicContact CG2-CG 4.1Å; V174-F233 HydrophobicContact CG2-CZ 3.36Å |
| 175 | G | 92.3 | Very high | 91.9 | Very high | 34 Ų | 34 | 82.1 Ų | 82.1 | 35% | 0.351 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -54.6 | -49.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V171 K172 M173 N177 V178 S179 | V171-G175 PolarHBondContact O-N 3.13Å; K172-G175 PolarHBondContact O-N 3.45Å; M173-G175 VanDerWaalsContact C-N 3.28Å; M173-G175 PolarHBondContact O-N 3.2Å; G175-N177 VanDerWaalsContact C-N 3.33Å; G175-N177 PolarHBondContact O-N 3.47Å; G175-V178 PolarHBondContact O-N 3.01Å; G175-S179 PolarHBondContact O-N 3.02Å; G175-S179 PolarHBondContact O-OG 3.29Å; G175-S179 VanDerWaalsContact O-OG 3.13Å |
| 176 | T | 92.4 | Very high | 91.5 | Very high | 89 Ų | 89 | 81 Ų | 81 | 55% | 0.546 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.4 | -37.1 | 177.6 | 58.7 | 0 | 0 | 0 | 0 | 113.5 | K172 M173 V174 A180 | K172-T176 WeakPolarHBondContact O-CG2 3.45Å; K172-T176 PolarHBondContact O-N 2.99Å; M173-T176 WeakPolarHBondContact CA-OG1 3.27Å; M173-T176 PolarHBondContact O-N 3.05Å; M173-T176 VanDerWaalsContact O-N 3.09Å; M173-T176 PolarHBondContact O-OG1 3.24Å; V174-T176 PolarHBondContact O-N 2.92Å; T176-A180 WeakPolarHBondContact O-CB 3.48Å; T176-A180 PolarHBondContact O-N 3.42Å |
| 177 | N | 89.8 | Confident | 91.1 | Very high | 39 Ų | 39 | 79.4 Ų | 79.4 | 21% | 0.209 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -68.9 | -44.8 | 178.9 | -170.1 | -56.4 | 0 | 0 | 0 | 111.1 | M173 V174 G175 A180 M181 S231 F233 | M173-N177 PolarHBondContact O-N 3.14Å; V174-N177 PolarHBondContact O-N 2.95Å; G175-N177 VanDerWaalsContact C-N 3.33Å; G175-N177 PolarHBondContact O-N 3.47Å; N177-A180 PolarHBondContact O-N 2.88Å; N177-M181 WeakPolarHBondContact O-CB 3.3Å; N177-M181 PolarHBondContact O-N 3Å; N177-S231 PolarHBondContact ND2-O 3Å; N177-F233 HydrophobicContact CB-CD1 4.22Å |
| 178 | V | 91.8 | Very high | 90.4 | Very high | 66 Ų | 66 | 77.2 Ų | 77.2 | 40% | 0.4 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.5 | -44.9 | 176.3 | 173.5 | 0 | 0 | 0 | 0 | 111 | V174 G175 A180 M181 E182 | V174-V178 HydrophobicContact CG1-CG2 4.31Å; V174-V178 WeakPolarHBondContact O-CG2 3.38Å; V174-V178 PolarHBondContact O-N 3.38Å; G175-V178 PolarHBondContact O-N 3.01Å; V178-A180 VanDerWaalsContact C-N 3.34Å; V178-A180 PolarHBondContact O-N 3.19Å; V178-M181 PolarHBondContact O-N 3.42Å; V178-E182 WeakPolarHBondContact O-CB 3.37Å; V178-E182 PolarHBondContact O-N 3.49Å |
| 179 | S | 91.1 | Very high | 89.9 | Confident | 71 Ų | 71 | 77 Ų | 77 | 50% | 0.497 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -61 | -42 | 176.2 | -62.6 | 0 | 0 | 0 | 0 | 112.4 | G175 M181 E182 E183 | G175-S179 PolarHBondContact O-N 3.02Å; G175-S179 PolarHBondContact O-OG 3.29Å; G175-S179 VanDerWaalsContact O-OG 3.13Å; S179-M181 VanDerWaalsContact C-N 3.33Å; S179-M181 PolarHBondContact O-N 2.92Å; S179-E182 PolarHBondContact O-N 2.96Å; S179-E183 PolarHBondContact O-N 3.19Å |
| 180 | A | 89.8 | Confident | 89.2 | Confident | 45 Ų | 45 | 77.6 Ų | 77.6 | 37% | 0.372 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63.9 | -39.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | T176 N177 V178 Q184 | T176-A180 WeakPolarHBondContact O-CB 3.48Å; T176-A180 PolarHBondContact O-N 3.42Å; N177-A180 PolarHBondContact O-N 2.88Å; V178-A180 VanDerWaalsContact C-N 3.34Å; V178-A180 PolarHBondContact O-N 3.19Å; A180-Q184 WeakPolarHBondContact O-CG 3.43Å; A180-Q184 PolarHBondContact O-N 3.41Å; A180-Q184 VanDerWaalsContact O-N 3.08Å |
| 181 | M | 89.3 | Confident | 88.5 | Confident | 88 Ų | 88 | 80.5 Ų | 80.5 | 43% | 0.433 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -66.9 | -41.9 | 176.2 | -172.4 | 174.6 | 63.5 | 0 | 0 | 111.7 | N177 V178 S179 Q184 V185 | N177-M181 WeakPolarHBondContact O-CB 3.3Å; N177-M181 PolarHBondContact O-N 3Å; V178-M181 PolarHBondContact O-N 3.42Å; S179-M181 VanDerWaalsContact C-N 3.33Å; S179-M181 PolarHBondContact O-N 2.92Å; M181-Q184 PolarHBondContact O-N 3.3Å; M181-V185 WeakPolarHBondContact O-CG2 3.26Å; M181-V185 PolarHBondContact O-N 3.42Å |
| 182 | E | 89.9 | Confident | 87.1 | Confident | 126 Ų | 126 | 83 Ų | 83 | 59% | 0.589 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -62.1 | -40.9 | 176.1 | -174.2 | 176.2 | -173.7 | 0 | 0 | 111.9 | V178 S179 V185 T186 | V178-E182 WeakPolarHBondContact O-CB 3.37Å; V178-E182 PolarHBondContact O-N 3.49Å; S179-E182 PolarHBondContact O-N 2.96Å; E182-V185 PolarHBondContact O-N 2.96Å; E182-T186 WeakPolarHBondContact O-CB 3.41Å; E182-T186 PolarHBondContact O-N 3.12Å; E182-T186 PolarHBondContact O-OG1 3.31Å |
| 183 | E | 90.6 | Very high | 85.4 | Confident | 144 Ų | 144 | 78.6 Ų | 78.6 | 67% | 0.673 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -63 | -44.5 | 174.3 | -174.3 | 176.6 | -171.7 | 0 | 0 | 111.6 | S179 V185 T186 Q187 | S179-E183 PolarHBondContact O-N 3.19Å; E183-V185 PolarHBondContact O-N 2.91Å; E183-T186 PolarHBondContact O-N 2.94Å; E183-Q187 WeakPolarHBondContact O-CB 3.34Å; E183-Q187 PolarHBondContact O-N 3.45Å |
| 184 | Q | 87.1 | Confident | 83.7 | Confident | 95 Ų | 95 | 80.8 Ų | 80.8 | 44% | 0.444 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.6 | -40.1 | 176.5 | -73.5 | -175.9 | 15.9 | 0 | 0 | 112.8 | A180 M181 Q187 A188 | A180-Q184 WeakPolarHBondContact O-CG 3.43Å; A180-Q184 PolarHBondContact O-N 3.41Å; A180-Q184 VanDerWaalsContact O-N 3.08Å; M181-Q184 PolarHBondContact O-N 3.3Å; Q184-Q187 PolarHBondContact O-N 3.19Å; Q184-A188 WeakPolarHBondContact O-CB 3.5Å; Q184-A188 PolarHBondContact O-N 3.34Å |
| 185 | V | 88.6 | Confident | 82 | Confident | 73 Ų | 73 | 83.5 Ų | 83.5 | 44% | 0.442 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.2 | -46.5 | 175.2 | 171 | 0 | 0 | 0 | 0 | 110.1 | M181 E182 E183 Q187 A188 E189 | M181-V185 WeakPolarHBondContact O-CG2 3.26Å; M181-V185 PolarHBondContact O-N 3.42Å; E182-V185 PolarHBondContact O-N 2.96Å; E183-V185 PolarHBondContact O-N 2.91Å; V185-Q187 VanDerWaalsContact C-N 3.32Å; V185-Q187 PolarHBondContact O-N 3.27Å; V185-A188 PolarHBondContact O-N 3.33Å; V185-E189 HydrophobicContact CG1-CG 4.36Å; V185-E189 WeakPolarHBondContact O-CB 3.3Å; V185-E189 WeakPolarHBondContact O-CG 3.39Å; V185-E189 PolarHBondContact O-N 3.37Å |
| 186 | T | 87.5 | Confident | 80.2 | Confident | 73 Ų | 73 | 85.7 Ų | 85.7 | 45% | 0.448 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60 | -41.6 | 177.7 | -57 | 0 | 0 | 0 | 0 | 111.8 | E182 E183 E189 T190 | E182-T186 WeakPolarHBondContact O-CB 3.41Å; E182-T186 PolarHBondContact O-N 3.12Å; E182-T186 PolarHBondContact O-OG1 3.31Å; E183-T186 PolarHBondContact O-N 2.94Å; T186-E189 PolarHBondContact O-N 3.47Å; T186-T190 WeakPolarHBondContact O-CB 3.28Å; T186-T190 PolarHBondContact O-N 3.46Å; T186-T190 PolarHBondContact O-OG1 3Å |
| 187 | Q | 85.3 | Confident | 78.4 | Confident | 103 Ų | 103 | 85.9 Ų | 85.9 | 48% | 0.481 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.2 | -47 | 175.9 | -177 | 59.6 | 43.5 | 0 | 0 | 111.2 | E183 Q184 V185 E189 T190 D191 | E183-Q187 WeakPolarHBondContact O-CB 3.34Å; E183-Q187 PolarHBondContact O-N 3.45Å; Q184-Q187 PolarHBondContact O-N 3.19Å; V185-Q187 VanDerWaalsContact C-N 3.32Å; V185-Q187 PolarHBondContact O-N 3.27Å; Q187-E189 PolarHBondContact O-N 2.85Å; Q187-T190 PolarHBondContact O-N 3.43Å; Q187-D191 VanDerWaalsContact NE2-CG 3.32Å; Q187-D191 PolarHBondContact NE2-OD1 2.88Å; Q187-D191 VanDerWaalsContact NE2-OD1 3.09Å; Q187-D191 PolarHBondContact NE2-OD2 3.27Å; Q187-D191 PolarHBondContact O-N 3.35Å |
| 188 | A | 82.6 | Confident | 76.7 | Confident | 41 Ų | 41 | 86.5 Ų | 86.5 | 34% | 0.339 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.9 | -39.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q184 V185 D191 L192 | Q184-A188 WeakPolarHBondContact O-CB 3.5Å; Q184-A188 PolarHBondContact O-N 3.34Å; V185-A188 PolarHBondContact O-N 3.33Å; A188-D191 PolarHBondContact O-N 2.81Å; A188-L192 VanDerWaalsContact O-CB 3.24Å; A188-L192 WeakPolarHBondContact O-CB 3.48Å; A188-L192 PolarHBondContact O-N 2.85Å |
| 189 | E | 83.1 | Confident | 75.1 | Confident | 127 Ų | 127 | 88.5 Ų | 88.5 | 59% | 0.593 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.3 | -37.7 | 174.3 | -74.6 | -176.8 | 174.4 | 0 | 0 | 112.2 | V185 T186 Q187 G193 | V185-E189 HydrophobicContact CG1-CG 4.36Å; V185-E189 WeakPolarHBondContact O-CB 3.3Å; V185-E189 WeakPolarHBondContact O-CG 3.39Å; V185-E189 PolarHBondContact O-N 3.37Å; T186-E189 PolarHBondContact O-N 3.47Å; Q187-E189 PolarHBondContact O-N 2.85Å; E189-G193 WeakPolarHBondContact O-CA 3.28Å; E189-G193 PolarHBondContact O-N 3.33Å |
| 190 | T | 80.5 | Confident | 73.5 | Confident | 71 Ų | 71 | 92 Ų | 92 | 44% | 0.436 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.1 | -45.6 | 175.6 | -58.7 | 0 | 0 | 0 | 0 | 111 | T186 Q187 L192 G193 T194 | T186-T190 WeakPolarHBondContact O-CB 3.28Å; T186-T190 PolarHBondContact O-N 3.46Å; T186-T190 PolarHBondContact O-OG1 3Å; Q187-T190 PolarHBondContact O-N 3.43Å; T190-L192 VanDerWaalsContact C-N 3.31Å; T190-L192 PolarHBondContact O-N 2.85Å; T190-G193 PolarHBondContact O-N 3.42Å; T190-T194 HydrophobicContact CG2-CG2 4.1Å; T190-T194 VanDerWaalsContact O-CB 3.26Å; T190-T194 WeakPolarHBondContact O-CB 3.32Å; T190-T194 WeakPolarHBondContact O-CG2 3.28Å; T190-T194 PolarHBondContact O-N 3.39Å; T190-T194 PolarHBondContact O-OG1 2.82Å |
| 191 | D | 76 | Confident | 72 | Confident | 84 Ų | 84 | 97 Ų | 97 | 45% | 0.449 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.3 | -34.4 | 178.8 | -68.6 | -25.3 | 0 | 0 | 0 | 111.9 | Q187 A188 T194 | Q187-D191 VanDerWaalsContact NE2-CG 3.32Å; Q187-D191 PolarHBondContact NE2-OD1 2.88Å; Q187-D191 VanDerWaalsContact NE2-OD1 3.09Å; Q187-D191 PolarHBondContact NE2-OD2 3.27Å; Q187-D191 PolarHBondContact O-N 3.35Å; A188-D191 PolarHBondContact O-N 2.81Å; D191-T194 PolarHBondContact O-OG1 3.39Å |
| 192 | L | 65.2 | Low | 70.5 | Confident | 142 Ų | 142 | 97.4 Ų | 97.4 | 74% | 0.743 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -77.3 | -37.2 | 174.7 | -165.3 | 71.6 | 0 | 0 | 0 | 112.5 | A188 T190 | A188-L192 VanDerWaalsContact O-CB 3.24Å; A188-L192 WeakPolarHBondContact O-CB 3.48Å; A188-L192 PolarHBondContact O-N 2.85Å; T190-L192 VanDerWaalsContact C-N 3.31Å; T190-L192 PolarHBondContact O-N 2.85Å |
| 193 | G | 58.6 | Low | 69.1 | Low | 66 Ų | 66 | 97.5 Ų | 97.5 | 68% | 0.68 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -75.5 | -25.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | E189 T190 | E189-G193 WeakPolarHBondContact O-CA 3.28Å; E189-G193 PolarHBondContact O-N 3.33Å; T190-G193 PolarHBondContact O-N 3.42Å |
| 194 | T | 55.6 | Low | 67.5 | Low | 89 Ų | 89 | 100.2 Ų | 100.2 | 55% | 0.546 | 54% | 0.54 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -9.3 | -179.9 | 51.5 | 0 | 0 | 0 | 0 | 114.2 | T190 D191 | T190-T194 HydrophobicContact CG2-CG2 4.1Å; T190-T194 VanDerWaalsContact O-CB 3.26Å; T190-T194 WeakPolarHBondContact O-CB 3.32Å; T190-T194 WeakPolarHBondContact O-CG2 3.28Å; T190-T194 PolarHBondContact O-N 3.39Å; T190-T194 PolarHBondContact O-OG1 2.82Å; D191-T194 PolarHBondContact O-OG1 3.39Å |
| 195 | L | 54.8 | Low | 66 | Low | 88 Ų | 88 | 101.4 Ų | 101.4 | 46% | 0.461 | 55% | 0.554 | S | S | . | * | S | Bend | trans | -142.5 | 122.7 | 172 | -68.5 | 174.9 | 0 | 0 | 0 | 112 | A198 F199 | L195-A198 HydrophobicContact CD2-CB 3.82Å; L195-F199 HydrophobicContact CD1-CE2 4.18Å; L195-F199 HydrophobicContact CD2-CD2 4.28Å; L195-F199 HydrophobicContact CD2-CE2 4.34Å |
| 196 | P | 53.8 | Low | 64.4 | Low | 79 Ų | 79 | 105.5 Ų | 105.5 | 51% | 0.513 | 57% | 0.57 | S | S | . | * | S | Bend | cis | -140.2 | 65.2 | 48 | 21.8 | 5 | 0 | 0 | 0 | 115.2 | A198 F199 K200 | P196-A198 VanDerWaalsContact C-N 3.34Å; P196-F199 HydrophobicContact CB-CB 3.57Å; P196-F199 HydrophobicContact CB-CD2 3.94Å; P196-F199 HydrophobicContact CB-CG 4.13Å; P196-K200 WeakPolarHBondContact O-CG 3.28Å; P196-K200 PolarHBondContact O-N 2.98Å; P196-K200 VanDerWaalsContact O-N 3.16Å |
| 197 | S | 55.2 | Low | 62.6 | Low | 93 Ų | 93 | 107.5 Ų | 107.5 | 65% | 0.65 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -71.6 | -34.3 | 158.9 | -169.9 | 0 | 0 | 0 | 0 | 110.9 | K200 K201 | S197-K200 PolarHBondContact O-N 3.34Å; S197-K201 PolarHBondContact O-N 2.95Å |
| 198 | A | 55.2 | Low | 61 | Low | 52 Ų | 52 | 108.5 Ų | 108.5 | 43% | 0.43 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -67.4 | -39.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L195 P196 K201 I202 | L195-A198 HydrophobicContact CD2-CB 3.82Å; P196-A198 VanDerWaalsContact C-N 3.34Å; A198-K201 PolarHBondContact O-N 3.28Å; A198-I202 WeakPolarHBondContact O-CG1 3.48Å; A198-I202 PolarHBondContact O-N 3.25Å |
| 199 | F | 57.6 | Low | 59.8 | Low | 109 Ų | 109 | 112 Ų | 112 | 48% | 0.478 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -73.5 | -28.9 | 174.4 | -73.7 | -96.2 | 0 | 0 | 0 | 112.9 | L195 P196 K201 I202 L203 | L195-F199 HydrophobicContact CD1-CE2 4.18Å; L195-F199 HydrophobicContact CD2-CD2 4.28Å; L195-F199 HydrophobicContact CD2-CE2 4.34Å; P196-F199 HydrophobicContact CB-CB 3.57Å; P196-F199 HydrophobicContact CB-CD2 3.94Å; P196-F199 HydrophobicContact CB-CG 4.13Å; F199-K201 PolarHBondContact O-N 3.43Å; F199-I202 PolarHBondContact O-N 3.43Å; F199-L203 WeakPolarHBondContact O-CB 3.3Å; F199-L203 PolarHBondContact O-N 3.32Å |
| 200 | K | 57.8 | Low | 57.9 | Low | 145 Ų | 145 | 109.3 Ų | 109.3 | 63% | 0.63 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -61.1 | -29.2 | 168.8 | -85.7 | 177.1 | 179.7 | 166.4 | 0 | 112.5 | P196 S197 R204 | P196-K200 WeakPolarHBondContact O-CG 3.28Å; P196-K200 PolarHBondContact O-N 2.98Å; P196-K200 VanDerWaalsContact O-N 3.16Å; S197-K200 PolarHBondContact O-N 3.34Å; K200-R204 WeakPolarHBondContact O-CG 3.49Å; K200-R204 PolarHBondContact O-N 2.95Å |
| 201 | K | 58.3 | Low | 56.2 | Low | 150 Ų | 150 | 115.1 Ų | 115.1 | 65% | 0.652 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -75.6 | -41.3 | 172.4 | -74.9 | -176 | 176.4 | 179.6 | 0 | 112.2 | S197 A198 F199 R204 T205 | S197-K201 PolarHBondContact O-N 2.95Å; A198-K201 PolarHBondContact O-N 3.28Å; F199-K201 PolarHBondContact O-N 3.43Å; K201-R204 PolarHBondContact O-N 3.38Å; K201-T205 PolarHBondContact O-N 3.27Å; K201-T205 PolarHBondContact O-OG1 3.33Å |
| 202 | I | 58.2 | Low | 54.9 | Low | 96 Ų | 96 | 118.1 Ų | 118.1 | 49% | 0.492 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -67.5 | -38.4 | 178.8 | -64.1 | 166.1 | 0 | 0 | 0 | 111.6 | A198 F199 R204 T205 M206 | A198-I202 WeakPolarHBondContact O-CG1 3.48Å; A198-I202 PolarHBondContact O-N 3.25Å; F199-I202 PolarHBondContact O-N 3.43Å; I202-R204 VanDerWaalsContact C-N 3.29Å; I202-R204 PolarHBondContact O-N 3.44Å; I202-T205 PolarHBondContact O-N 2.92Å; I202-T205 VanDerWaalsContact O-N 3.14Å; I202-M206 PolarHBondContact O-N 3.25Å |
| 203 | L | 59.5 | Low | 53.8 | Low | 128 Ų | 128 | 118.5 Ų | 118.5 | 67% | 0.67 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -70.4 | -20.7 | 175.6 | -82.3 | 155.3 | 0 | 0 | 0 | 113.7 | F199 T205 | F199-L203 WeakPolarHBondContact O-CB 3.3Å; F199-L203 PolarHBondContact O-N 3.32Å; L203-T205 VanDerWaalsContact C-N 3.34Å |
| 204 | R | 56.8 | Low | 52.7 | Low | 201 Ų | 201 | 125.4 Ų | 125.4 | 76% | 0.758 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -78.6 | -19.2 | 170.2 | -79.4 | -177.8 | -170.5 | 156.9 | 2.5 | 113.1 | K200 K201 I202 | K200-R204 WeakPolarHBondContact O-CG 3.49Å; K200-R204 PolarHBondContact O-N 2.95Å; K201-R204 PolarHBondContact O-N 3.38Å; I202-R204 VanDerWaalsContact C-N 3.29Å; I202-R204 PolarHBondContact O-N 3.44Å |
| 205 | T | 56.8 | Low | 52.2 | Low | 119 Ų | 119 | 130.7 Ų | 130.7 | 73% | 0.73 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -93.2 | -12.7 | -179.7 | -45.4 | 0 | 0 | 0 | 0 | 112.7 | K201 I202 L203 | K201-T205 PolarHBondContact O-N 3.27Å; K201-T205 PolarHBondContact O-OG1 3.33Å; I202-T205 PolarHBondContact O-N 2.92Å; I202-T205 VanDerWaalsContact O-N 3.14Å; L203-T205 VanDerWaalsContact C-N 3.34Å |
| 206 | M | 54.9 | Low | 51.2 | Low | 160 Ų | 160 | 131.1 Ų | 131.1 | 79% | 0.788 | 70% | 0.704 | S | S | * | * | trans | -116.3 | 58.2 | -178.1 | -72.4 | -165.8 | 104.8 | 0 | 0 | 113.7 | I202 | I202-M206 PolarHBondContact O-N 3.25Š| ||
| 207 | T | 48 | Very low | 50.4 | Low | 114 Ų | 114 | 132.5 Ų | 132.5 | 70% | 0.699 | 72% | 0.715 | S | S | * | * | trans | -98.4 | 89.3 | 166 | -44.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 208 | V | 52.3 | Low | 49.7 | Very low | 124 Ų | 124 | 133.9 Ų | 133.9 | 75% | 0.752 | 72% | 0.722 | S | S | * | * | S | Bend | trans | 76.9 | 148 | 143.9 | -169.9 | 0 | 0 | 0 | 0 | 118.3 | ||
| 209 | P | 57.7 | Low | 49 | Very low | 116 Ų | 116 | 142.9 Ų | 142.9 | 75% | 0.753 | 75% | 0.745 | S | S | * | * | cis | -133.6 | 167.4 | -48.2 | 37.1 | -18.4 | 0 | 0 | 0 | 113 | ||||
| 210 | G | 42.5 | Very low | 48.1 | Very low | 70 Ų | 70 | 147.4 Ų | 147.4 | 72% | 0.722 | 76% | 0.759 | S | S | * | * | trans | -178.1 | 95.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 211 | F | 44.8 | Very low | 47.1 | Very low | 193 Ų | 193 | 146.5 Ų | 146.5 | 85% | 0.846 | 77% | 0.768 | S | S | * | * | trans | 26.6 | 119.5 | 142.9 | -68.1 | -85.6 | 0 | 0 | 0 | 121.3 | ||||
| 212 | L | 49.9 | Very low | 46 | Very low | 147 Ų | 147 | 143.6 Ų | 143.6 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | trans | 82.4 | 118.8 | 135 | -60 | 169.2 | 0 | 0 | 0 | 120.9 | ||||
| 213 | N | 40.6 | Very low | 45.2 | Very low | 149 Ų | 149 | 143.3 Ų | 143.3 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | trans | 52.3 | 107.2 | 138.2 | -78.8 | -13 | 0 | 0 | 0 | 119.7 | ||||
| 214 | K | 35.5 | Very low | 44.5 | Very low | 212 Ų | 212 | 143 Ų | 143 | 92% | 0.922 | 78% | 0.776 | S | S | * | * | -172 | 128.7 | 122.4 | -105.3 | 167 | 178.7 | -167.3 | 0 | 110.4 | |||||
| 215 | Q | 46.1 | Very low | 43.9 | Very low | 200 Ų | 200 | 142.5 Ų | 142.5 | 94% | 0.935 | 78% | 0.781 | S | S | * | * | trans | -74.7 | 124.5 | 169.7 | -66 | -163.1 | -15.4 | 0 | 0 | 109.9 | ||||
| 216 | A | 33.7 | Very low | 43.3 | Very low | 96 Ų | 96 | 146.5 Ų | 146.5 | 79% | 0.793 | 78% | 0.783 | S | S | * | * | trans | -164.7 | 88.6 | 152.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 217 | S | 37.2 | Very low | 42.9 | Very low | 108 Ų | 108 | 146.7 Ų | 146.7 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | trans | 33.2 | 100.9 | 149.2 | -174.9 | 0 | 0 | 0 | 0 | 119.2 | R219 | S217-R219 PolarHBondContact O-N 3.27Š| ||
| 218 | P | 39.4 | Very low | 43.2 | Very low | 122 Ų | 122 | 149.1 Ų | 149.1 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | trans | -70.6 | 118.4 | 153.7 | -1.5 | 19.1 | 0 | 0 | 0 | 108.2 | R220 | P218-R220 PolarHBondContact O-N 2.89Š| ||
| 219 | R | 40.6 | Very low | 43.5 | Very low | 242 Ų | 242 | 149 Ų | 149 | 91% | 0.913 | 79% | 0.785 | S | S | * | * | trans | -53.8 | 109.9 | 168.3 | -173.6 | 174.3 | -178.1 | 166.4 | -1 | 107.8 | S217 | S217-R219 PolarHBondContact O-N 3.27Š| ||
| 220 | R | 39 | Very low | 43.7 | Very low | 204 Ų | 204 | 145.6 Ų | 145.6 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | trans | -39.9 | 133.8 | 176.7 | -71.2 | 177.5 | -175 | 143.1 | 1 | 110.9 | P218 A222 | P218-R220 PolarHBondContact O-N 2.89Å; R220-A222 PolarHBondContact O-N 2.98Å | ||
| 221 | P | 37.8 | Very low | 44.7 | Very low | 126 Ų | 126 | 147 Ų | 147 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 127.2 | 146.5 | -10.2 | 25.1 | 0 | 0 | 0 | 106.2 | ||
| 222 | A | 34.2 | Very low | 45.9 | Very low | 89 Ų | 89 | 143.1 Ų | 143.1 | 74% | 0.736 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -48 | 127.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | R220 | R220-A222 PolarHBondContact O-N 2.98Š|
| 223 | P | 42.8 | Very low | 46.7 | Very low | 90 Ų | 90 | 138.9 Ų | 138.9 | 58% | 0.584 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -71.9 | 139.4 | 168.5 | 32.1 | -29.2 | 0 | 0 | 0 | 106.8 | ||
| 224 | N | 43.1 | Very low | 48.3 | Very low | 122 Ų | 122 | 137.4 Ų | 137.4 | 65% | 0.652 | 72% | 0.717 | S | S | * | * | trans | 86.9 | 65.8 | 173.1 | -41.2 | -29.1 | 0 | 0 | 0 | 115.6 | R226 | N224-R226 HydrophobicContact CB-CG 4.18Å; N224-R226 PolarHBondContact O-N 3.09Å | ||
| 225 | Q | 45.6 | Very low | 49.9 | Very low | 189 Ų | 189 | 130.9 Ų | 130.9 | 88% | 0.883 | 70% | 0.695 | S | S | * | * | -81.4 | 82.9 | 118.1 | -69.4 | -163.6 | -2 | 0 | 0 | 105.1 | Q227 | Q225-Q227 VanDerWaalsContact C-N 3.35Å; Q225-Q227 PolarHBondContact O-N 3.43Å | |||
| 226 | R | 44.4 | Very low | 51 | Low | 203 Ų | 203 | 126.4 Ų | 126.4 | 77% | 0.766 | 68% | 0.678 | S | S | * | * | trans | -59.7 | 112.2 | 165.4 | -90.6 | -178.6 | 177 | -177.1 | -2.6 | 103.5 | N224 E228 | N224-R226 HydrophobicContact CB-CG 4.18Å; N224-R226 PolarHBondContact O-N 3.09Å; R226-E228 PolarHBondContact O-N 3.44Å | ||
| 227 | Q | 46.6 | Very low | 52.8 | Low | 164 Ų | 164 | 127.6 Ų | 127.6 | 77% | 0.766 | 67% | 0.671 | S | S | * | * | trans | -57.6 | 93.5 | 163.2 | -159.8 | 170.3 | 8.9 | 0 | 0 | 104.7 | Q225 V229 | Q225-Q227 VanDerWaalsContact C-N 3.35Å; Q225-Q227 PolarHBondContact O-N 3.43Å; Q227-V229 PolarHBondContact O-N 3.04Å | ||
| 228 | E | 54.1 | Low | 54.1 | Low | 165 Ų | 165 | 127.5 Ų | 127.5 | 77% | 0.771 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 116.8 | 179.8 | -169.8 | 168.7 | -161.1 | 0 | 0 | 105.1 | R226 P230 | R226-E228 PolarHBondContact O-N 3.44Å; E228-P230 WeakPolarHBondContact O-CD 3.39Å; E228-P230 VanDerWaalsContact O-N 3.13Å |
| 229 | V | 58.8 | Low | 55.5 | Low | 123 Ų | 123 | 125.6 Ų | 125.6 | 75% | 0.745 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 122.3 | -178.4 | -179 | 0 | 0 | 0 | 0 | 106.9 | Q227 S231 | Q227-V229 PolarHBondContact O-N 3.04Å; V229-S231 PolarHBondContact O-N 3.49Å |
| 230 | P | 60.1 | Low | 56.8 | Low | 43 Ų | 43 | 119.3 Ų | 119.3 | 28% | 0.279 | 63% | 0.627 | S | S | . | * | P | Polyproline II helix | trans | -53.7 | 130.1 | -180 | -24.3 | 31.6 | 0 | 0 | 0 | 109.3 | E228 V232 | E228-P230 WeakPolarHBondContact O-CD 3.39Å; E228-P230 VanDerWaalsContact O-N 3.13Å; P230-V232 PolarHBondContact O-N 3.35Å |
| 231 | S | 64.6 | Low | 57.6 | Low | 100 Ų | 100 | 114.6 Ų | 114.6 | 70% | 0.699 | 63% | 0.626 | S | S | * | * | trans | -58.8 | 104.8 | 173.7 | 172.5 | 0 | 0 | 0 | 0 | 108.5 | N177 V229 F233 | N177-S231 PolarHBondContact ND2-O 3Å; V229-S231 PolarHBondContact O-N 3.49Å; S231-F233 PolarHBondContact O-N 3.34Å | ||
| 232 | V | 68.9 | Low | 58.5 | Low | 111 Ų | 111 | 116.4 Ų | 116.4 | 67% | 0.673 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -71 | 123.3 | 174.8 | -176.8 | 0 | 0 | 0 | 0 | 107.4 | P230 | P230-V232 PolarHBondContact O-N 3.35Š|
| 233 | F | 66.8 | Low | 59.5 | Low | 59 Ų | 59 | 117.6 Ų | 117.6 | 26% | 0.259 | 62% | 0.623 | S | S | . | * | P | Polyproline II helix | trans | -64.2 | 137.7 | 177 | 64 | -89.7 | 0 | 0 | 0 | 109.6 | F170 M173 V174 N177 S231 | F170-F233 AromaticContact CE2-CD2 3.84Å; F170-F233 HydrophobicContact CE2-CD2 3.84Å; F170-F233 HydrophobicContact CE2-CE2 4.15Å; F170-F233 AromaticContact CZ-CD2 3.84Å; F170-F233 HydrophobicContact CZ-CD2 3.84Å; F170-F233 AromaticContact CZ-CE2 3.66Å; F170-F233 HydrophobicContact CZ-CE2 3.66Å; M173-F233 HydrophobicContact CE-CB 4.15Å; M173-F233 HydrophobicContact CE-CG 4.48Å; M173-F233 HydrophobicContact SD-CB 4.44Å; V174-F233 HydrophobicContact CB-CE1 4.07Å; V174-F233 HydrophobicContact CB-CE2 4.47Å; V174-F233 HydrophobicContact CB-CZ 4.01Å; V174-F233 HydrophobicContact CG1-CE1 3.66Å; V174-F233 HydrophobicContact CG1-CE2 4.38Å; V174-F233 HydrophobicContact CG1-CZ 3.53Å; V174-F233 HydrophobicContact CG2-CD1 4.08Å; V174-F233 HydrophobicContact CG2-CD2 3.74Å; V174-F233 HydrophobicContact CG2-CE1 3.73Å; V174-F233 HydrophobicContact CG2-CE2 3.36Å; V174-F233 HydrophobicContact CG2-CG 4.1Å; V174-F233 HydrophobicContact CG2-CZ 3.36Å; N177-F233 HydrophobicContact CB-CD1 4.22Å; S231-F233 PolarHBondContact O-N 3.34Å |
| 234 | Q | 75.1 | Confident | 59.6 | Low | 118 Ų | 118 | 122.3 Ų | 122.3 | 55% | 0.551 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -100 | 129.3 | 173.3 | -64.6 | -169.9 | -2.3 | 0 | 0 | 109.3 | D236 D237 | Q234-D236 PolarHBondContact O-N 3.22Å; Q234-D237 PolarHBondContact O-N 2.98Å |
| 235 | T | 67.9 | Low | 59.3 | Low | 75 Ų | 75 | 129.2 Ų | 129.2 | 46% | 0.46 | 67% | 0.666 | S | S | . | * | G | 310 helix | trans | -64 | -29.9 | -179.8 | -29.9 | 0 | 0 | 0 | 0 | 111.7 | F170 D237 Y238 F239 | F170-T235 HydrophobicContact CE1-CG2 4.44Å; F170-T235 HydrophobicContact CE2-CG2 4.34Å; F170-T235 HydrophobicContact CZ-CG2 3.83Å; T235-D237 VanDerWaalsContact C-N 3.25Å; T235-D237 PolarHBondContact O-N 2.71Å; T235-Y238 PolarHBondContact O-N 2.87Å; T235-Y238 VanDerWaalsContact O-N 3.15Å; T235-F239 HydrophobicContact CG2-CD2 3.98Å; T235-F239 HydrophobicContact CG2-CE2 4.45Å; T235-F239 PolarHBondContact O-N 2.9Å |
| 236 | D | 71.1 | Confident | 60 | Low | 106 Ų | 106 | 126.3 Ų | 126.3 | 57% | 0.567 | 66% | 0.655 | S | S | * | * | G | 310 helix | trans | -67 | -23.9 | -178.7 | -62.5 | -43.7 | 0 | 0 | 0 | 113 | Q234 Y238 | Q234-D236 PolarHBondContact O-N 3.22Å; D236-Y238 PolarHBondContact O-N 3.47Å |
| 237 | D | 70.6 | Confident | 60.8 | Low | 120 Ų | 120 | 122.2 Ų | 122.2 | 64% | 0.642 | 65% | 0.649 | S | S | * | * | G | 310 helix | trans | -71 | -20.2 | 175.8 | -66.5 | -25.9 | 0 | 0 | 0 | 112.4 | Q234 T235 | Q234-D237 PolarHBondContact O-N 2.98Å; T235-D237 VanDerWaalsContact C-N 3.25Å; T235-D237 PolarHBondContact O-N 2.71Å |
| 238 | Y | 64.9 | Low | 61.6 | Low | 106 Ų | 106 | 119.9 Ų | 119.9 | 42% | 0.416 | 64% | 0.643 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -110.4 | -31.3 | -175.4 | -75.5 | -94.4 | 0 | 0 | 0 | 113.1 | F170 M173 T235 D236 | F170-Y238 HydrophobicContact CB-CD1 4.33Å; F170-Y238 HydrophobicContact CD2-CD1 4.04Å; F170-Y238 AromaticContact CD2-CD2 3.84Å; F170-Y238 HydrophobicContact CD2-CD2 3.84Å; F170-Y238 AromaticContact CD2-CG 3.57Å; F170-Y238 HydrophobicContact CD2-CG 3.57Å; F170-Y238 HydrophobicContact CE2-CD2 4.15Å; F170-Y238 HydrophobicContact CE2-CG 4.25Å; M173-Y238 HydrophobicContact CE-CD1 4.47Å; M173-Y238 HydrophobicContact CE-CD2 3.79Å; M173-Y238 HydrophobicContact CE-CE1 4.03Å; M173-Y238 HydrophobicContact CE-CE2 3.28Å; M173-Y238 HydrophobicContact CE-CG 4.37Å; M173-Y238 VanDerWaalsContact CE-CZ 3.44Å; M173-Y238 HydrophobicContact SD-CE1 4.33Å; M173-Y238 HydrophobicContact SD-CE2 3.57Å; M173-Y238 VanDerWaalsContact SD-CE2 3.57Å; M173-Y238 PolarHBondContact SD-OH 2.84Å; T235-Y238 PolarHBondContact O-N 2.87Å; T235-Y238 VanDerWaalsContact O-N 3.15Å; D236-Y238 PolarHBondContact O-N 3.47Å |
| 239 | F | 67.6 | Low | 62 | Low | 82 Ų | 82 | 117.2 Ų | 117.2 | 36% | 0.36 | 64% | 0.635 | S | S | . | * | S | Bend | trans | -121.3 | 91.9 | 177.5 | -57.6 | -81.6 | 0 | 0 | 0 | 109.2 | L167 F170 T235 S241 | L167-F239 HydrophobicContact CB-CZ 4.48Å; L167-F239 HydrophobicContact CD1-CZ 3.82Å; F170-F239 HydrophobicContact CB-CE2 4.28Å; F170-F239 HydrophobicContact CB-CZ 4.38Å; F170-F239 AromaticContact CD1-CE2 3.89Å; F170-F239 HydrophobicContact CD1-CE2 3.89Å; F170-F239 HydrophobicContact CD1-CZ 4.42Å; F170-F239 HydrophobicContact CD2-CE2 4.19Å; F170-F239 HydrophobicContact CE1-CE2 4.26Å; F170-F239 AromaticContact CG-CE2 3.85Å; F170-F239 HydrophobicContact CG-CE2 3.85Å; F170-F239 HydrophobicContact CG-CZ 4.38Å; T235-F239 HydrophobicContact CG2-CD2 3.98Å; T235-F239 HydrophobicContact CG2-CE2 4.45Å; T235-F239 PolarHBondContact O-N 2.9Å; F239-S241 PolarHBondContact O-N 3.24Å; F239-S241 VanDerWaalsContact O-N 3.16Å |
| 240 | S | 67.8 | Low | 62.2 | Low | 110 Ų | 110 | 116.9 Ų | 116.9 | 77% | 0.769 | 63% | 0.628 | S | S | * | * | trans | -58.8 | 120.6 | 171.6 | -39 | 0 | 0 | 0 | 0 | 109.1 | Q242 | S240-Q242 PolarHBondContact O-N 2.61Š| ||
| 241 | S | 57.5 | Low | 62.3 | Low | 106 Ų | 106 | 121.8 Ų | 121.8 | 74% | 0.741 | 65% | 0.652 | S | S | * | * | trans | -79 | 67.2 | 174.8 | 25.9 | 0 | 0 | 0 | 0 | 110.2 | F239 | F239-S241 PolarHBondContact O-N 3.24Å; F239-S241 VanDerWaalsContact O-N 3.16Å | ||
| 242 | Q | 56.8 | Low | 62.2 | Low | 163 Ų | 163 | 123.4 Ų | 123.4 | 76% | 0.762 | 65% | 0.648 | S | S | * | * | trans | -147 | 138.5 | 157.6 | -91.4 | -149.2 | -35.8 | 0 | 0 | 114.5 | S240 | S240-Q242 PolarHBondContact O-N 2.61Š| ||
| 243 | P | 54.8 | Low | 61.7 | Low | 114 Ų | 114 | 124.3 Ų | 124.3 | 74% | 0.74 | 65% | 0.646 | S | S | * | * | trans | -83.2 | 111.2 | 163.5 | 32.9 | -25.3 | 0 | 0 | 0 | 108.7 | ||||
| 244 | E | 45.3 | Very low | 61.2 | Low | 190 Ų | 190 | 129.8 Ų | 129.8 | 89% | 0.888 | 68% | 0.679 | S | S | * | * | trans | -82.2 | 126.3 | 158.7 | -96.4 | -156.7 | 119.2 | 0 | 0 | 108.8 | ||||
| 245 | Q | 35.3 | Very low | 60 | Low | 267 Ų | 267 | 130.8 Ų | 130.8 | 100% | 1.248 | 69% | 0.69 | S | S | * | * | trans | -70 | 0 | 179.2 | -73.4 | 176.9 | -21.5 | 0 | 0 | 112.1 |
Retrieved 245 of 245 residues in 230 ms
(Link to these results)