| 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 | 28.6 | Very low | 42.6 | Very low | 237 Ų | 237 | 152.8 Ų | 152.8 | 100% | 1.167 | 83% | 0.83 | S | S | * | * | 0 | 121.6 | 0 | -68.8 | -173.4 | 179.7 | 0 | 0 | 108.4 | |||||
| 2 | A | 37.6 | Very low | 43 | Very low | 96 Ų | 96 | 152.4 Ų | 152.4 | 79% | 0.793 | 83% | 0.827 | S | S | * | * | trans | -148.8 | 113.5 | 164.6 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 3 | R | 35.4 | Very low | 43.5 | Very low | 234 Ų | 234 | 153.2 Ų | 153.2 | 88% | 0.883 | 83% | 0.829 | S | S | * | * | trans | -96.7 | 118.3 | 177.6 | -57.1 | 179.6 | -178.9 | -173.1 | -0.4 | 105.9 | ||||
| 4 | V | 40.7 | Very low | 43.9 | Very low | 143 Ų | 143 | 154.4 Ų | 154.4 | 87% | 0.867 | 83% | 0.833 | S | S | * | * | trans | -97.3 | 107.7 | 178.8 | -178.5 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 5 | S | 44.8 | Very low | 43.6 | Very low | 114 Ų | 114 | 153.6 Ų | 153.6 | 80% | 0.797 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 136 | 174.4 | -61.1 | 0 | 0 | 0 | 0 | 110.3 | ||
| 6 | G | 42.2 | Very low | 43.7 | Very low | 71 Ų | 71 | 148.8 Ų | 148.8 | 73% | 0.732 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 155.3 | -170.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 7 | L | 52.4 | Low | 43.5 | Very low | 144 Ų | 144 | 145.1 Ų | 145.1 | 75% | 0.754 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 121.5 | 174 | -61.3 | 170.3 | 0 | 0 | 0 | 109.1 | Y9 | L7-Y9 PolarHBondContact O-N 2.88Š|
| 8 | V | 45.7 | Very low | 43.6 | Very low | 134 Ų | 134 | 144.6 Ų | 144.6 | 81% | 0.812 | 82% | 0.818 | S | S | * | * | trans | -79.6 | 109.7 | 172.1 | 179.3 | 0 | 0 | 0 | 0 | 107.6 | Q10 | V8-Q10 PolarHBondContact O-N 3.18Š| ||
| 9 | Y | 47.9 | Very low | 43.5 | Very low | 191 Ų | 191 | 144.8 Ų | 144.8 | 75% | 0.749 | 82% | 0.817 | S | S | * | * | trans | -72.8 | 118.2 | 174.9 | -68.1 | -88.6 | 0 | 0 | 0 | 109.1 | L7 | L7-Y9 PolarHBondContact O-N 2.88Š| ||
| 10 | Q | 40.5 | Very low | 43.4 | Very low | 174 Ų | 174 | 147 Ų | 147 | 81% | 0.813 | 82% | 0.82 | S | S | * | * | trans | -85.8 | 111.6 | 173.7 | -74.7 | -176.4 | -3.4 | 0 | 0 | 109.5 | V8 N12 | V8-Q10 PolarHBondContact O-N 3.18Å; Q10-N12 PolarHBondContact O-N 2.8Å | ||
| 11 | D | 52.4 | Low | 43.5 | Very low | 143 Ų | 143 | 144.8 Ų | 144.8 | 77% | 0.765 | 81% | 0.812 | S | S | * | * | G | 310 helix | trans | -69.4 | 10 | -176.4 | -71.8 | -34.3 | 0 | 0 | 0 | 115.6 | L13 | D11-L13 PolarHBondContact O-N 3.2Š|
| 12 | N | 47.7 | Very low | 44 | Very low | 148 Ų | 148 | 141.8 Ų | 141.8 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | G | 310 helix | trans | -93.5 | 9.9 | -167.8 | -77.1 | 10.2 | 0 | 0 | 0 | 115.8 | Q10 | Q10-N12 PolarHBondContact O-N 2.8Š|
| 13 | L | 49.7 | Very low | 44.3 | Very low | 163 Ų | 163 | 146.4 Ų | 146.4 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | G | 310 helix | trans | -88.8 | -2.8 | -178.9 | -83.1 | 165.9 | 0 | 0 | 0 | 115.3 | D11 T15 | D11-L13 PolarHBondContact O-N 3.2Å; L13-T15 PolarHBondContact O-N 2.95Å |
| 14 | L | 48.6 | Very low | 44.7 | Very low | 169 Ų | 169 | 142.3 Ų | 142.3 | 89% | 0.885 | 79% | 0.793 | S | S | * | * | trans | -92.8 | 14.5 | -173.4 | -93.6 | 139.2 | 0 | 0 | 0 | 116 | ||||
| 15 | T | 40.2 | Very low | 44.9 | Very low | 143 Ų | 143 | 138.6 Ų | 138.6 | 88% | 0.877 | 78% | 0.784 | S | S | * | * | trans | -118.1 | 68.6 | 173.1 | -42.3 | 0 | 0 | 0 | 0 | 111.3 | L13 | L13-T15 PolarHBondContact O-N 2.95Š| ||
| 16 | A | 44.4 | Very low | 45.1 | Very low | 77 Ų | 77 | 137.7 Ų | 137.7 | 64% | 0.636 | 78% | 0.783 | S | S | * | * | trans | -118 | 113.9 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 17 | A | 41.2 | Very low | 45.4 | Very low | 85 Ų | 85 | 146.4 Ų | 146.4 | 70% | 0.702 | 79% | 0.794 | S | S | * | * | trans | -41.2 | 139.6 | -169.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | N19 | A17-N19 PolarHBondContact O-N 3.13Š| ||
| 18 | T | 44 | Very low | 45.3 | Very low | 137 Ų | 137 | 143 Ų | 143 | 84% | 0.84 | 78% | 0.782 | S | S | * | * | trans | -60.7 | 101.4 | 166.9 | 52.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 19 | N | 41.7 | Very low | 45.8 | Very low | 149 Ų | 149 | 143 Ų | 143 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | trans | -118.9 | 100.7 | 161.2 | -79.9 | -38.8 | 0 | 0 | 0 | 107.8 | A17 | A17-N19 PolarHBondContact O-N 3.13Š| ||
| 20 | Q | 41.8 | Very low | 46.2 | Very low | 188 Ų | 188 | 141.1 Ų | 141.1 | 88% | 0.879 | 78% | 0.776 | S | S | * | * | trans | -67.4 | 128.5 | 177.7 | -74 | -138.5 | -8 | 0 | 0 | 110.9 | Q22 | Q20-Q22 PolarHBondContact O-N 3.47Š| ||
| 21 | P | 45.4 | Very low | 47 | Very low | 100 Ų | 100 | 136 Ų | 136 | 65% | 0.649 | 76% | 0.763 | S | S | * | * | trans | -73.5 | 120.7 | 172.8 | 26.5 | -29.3 | 0 | 0 | 0 | 110.7 | F23 | P21-F23 PolarHBondContact O-N 3Š| ||
| 22 | Q | 40.8 | Very low | 47.1 | Very low | 174 Ų | 174 | 131.1 Ų | 131.1 | 81% | 0.813 | 75% | 0.747 | S | S | * | * | trans | -72.2 | 106.5 | 175.1 | -158.4 | 177.5 | 11.1 | 0 | 0 | 109 | Q20 N24 | Q20-Q22 PolarHBondContact O-N 3.47Å; Q22-N24 PolarHBondContact O-N 3.18Å | ||
| 23 | F | 43.4 | Very low | 47.7 | Very low | 193 Ų | 193 | 128.7 Ų | 128.7 | 85% | 0.846 | 73% | 0.733 | S | S | * | * | trans | -67.6 | 88.1 | 178.5 | -84.6 | -92.4 | 0 | 0 | 0 | 111.5 | P21 G25 | P21-F23 PolarHBondContact O-N 3Å; F23-G25 VanDerWaalsContact C-N 3.32Å; F23-G25 PolarHBondContact O-N 3.02Å | ||
| 24 | N | 43.5 | Very low | 48.1 | Very low | 149 Ų | 149 | 129.1 Ų | 129.1 | 80% | 0.797 | 72% | 0.724 | S | S | * | * | trans | -96.5 | 57.1 | 162.8 | -88.7 | -12.8 | 0 | 0 | 0 | 110 | Q22 | Q22-N24 PolarHBondContact O-N 3.18Š| ||
| 25 | G | 43.9 | Very low | 48.4 | Very low | 65 Ų | 65 | 123.4 Ų | 123.4 | 67% | 0.67 | 70% | 0.701 | S | S | * | * | trans | -80.3 | 115.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | F23 R27 | F23-G25 VanDerWaalsContact C-N 3.32Å; F23-G25 PolarHBondContact O-N 3.02Å; G25-R27 PolarHBondContact O-N 3.04Å | ||
| 26 | A | 49.3 | Very low | 49.1 | Very low | 95 Ų | 95 | 122.6 Ų | 122.6 | 79% | 0.785 | 69% | 0.691 | S | S | * | * | trans | -36.1 | 125.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | S28 | A26-S28 PolarHBondContact O-N 2.75Š| ||
| 27 | R | 48.2 | Very low | 49.8 | Very low | 253 Ų | 253 | 125.9 Ų | 125.9 | 96% | 0.955 | 70% | 0.695 | S | S | * | * | trans | -57.7 | 85.9 | 164.1 | -74.9 | 175 | 157.5 | -177.7 | -6.6 | 108.5 | G25 N29 | G25-R27 PolarHBondContact O-N 3.04Å; R27-N29 PolarHBondContact O-N 3.29Å | ||
| 28 | S | 51.9 | Low | 50.8 | Low | 73 Ų | 73 | 128.5 Ų | 128.5 | 51% | 0.51 | 70% | 0.697 | S | S | . | * | trans | -59.5 | 105.3 | 172.8 | 162.2 | 0 | 0 | 0 | 0 | 107.3 | A26 E30 L33 | A26-S28 PolarHBondContact O-N 2.75Å; S28-E30 PolarHBondContact O-N 2.97Å; S28-L33 WeakPolarHBondContact OG-CD1 3.42Å; S28-L33 WeakPolarHBondContact OG-CG 3.44Å | ||
| 29 | N | 55.6 | Low | 51.6 | Low | 133 Ų | 133 | 127.5 Ų | 127.5 | 71% | 0.711 | 69% | 0.687 | S | S | * | * | trans | -57.4 | 112 | 176.9 | -169.1 | 10.7 | 0 | 0 | 0 | 107.9 | R27 A31 G32 | R27-N29 PolarHBondContact O-N 3.29Å; N29-A31 PolarHBondContact O-N 3.37Å; N29-G32 PolarHBondContact O-N 2.79Å | ||
| 30 | E | 56.1 | Low | 52.1 | Low | 152 Ų | 152 | 122.5 Ų | 122.5 | 71% | 0.71 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -54.1 | -28.2 | -169 | -166.8 | 175.9 | 174.2 | 0 | 0 | 112.9 | S28 G32 L33 | S28-E30 PolarHBondContact O-N 2.97Å; E30-G32 VanDerWaalsContact C-N 3.31Å; E30-G32 PolarHBondContact O-N 3.27Å; E30-L33 PolarHBondContact O-N 3.38Å |
| 31 | A | 56.3 | Low | 52.9 | Low | 67 Ų | 67 | 123 Ų | 123 | 55% | 0.554 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -61.3 | -33.9 | 174 | 0 | 0 | 0 | 0 | 0 | 113.8 | N29 A35 | N29-A31 PolarHBondContact O-N 3.37Å; A31-A35 PolarHBondContact O-N 3.28Å |
| 32 | G | 56.3 | Low | 53.2 | Low | 41 Ų | 41 | 123 Ų | 123 | 42% | 0.423 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -72.5 | -30.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | N29 E30 N36 | N29-G32 PolarHBondContact O-N 2.79Å; E30-G32 VanDerWaalsContact C-N 3.31Å; E30-G32 PolarHBondContact O-N 3.27Å; G32-N36 PolarHBondContact O-N 3.26Å |
| 33 | L | 59.4 | Low | 53.9 | Low | 96 Ų | 96 | 117.7 Ų | 117.7 | 50% | 0.503 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -69.4 | -37.9 | 177.8 | -64.6 | 177.2 | 0 | 0 | 0 | 111.5 | S28 E30 N36 M37 | S28-L33 WeakPolarHBondContact OG-CD1 3.42Å; S28-L33 WeakPolarHBondContact OG-CG 3.44Å; E30-L33 PolarHBondContact O-N 3.38Å; L33-N36 PolarHBondContact O-N 3.38Å; L33-M37 PolarHBondContact O-N 2.79Å |
| 34 | R | 58.5 | Low | 54.2 | Low | 173 Ų | 173 | 113.5 Ų | 113.5 | 65% | 0.653 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -65.1 | -46.4 | 178.4 | -61.5 | -178.8 | 76.1 | 162.9 | 3.5 | 111.3 | N36 M37 D38 | R34-N36 VanDerWaalsContact C-N 3.25Å; R34-N36 PolarHBondContact O-N 3.44Å; R34-M37 PolarHBondContact O-N 3.24Å; R34-D38 PolarHBondContact O-N 3.22Å |
| 35 | A | 55.4 | Low | 54.3 | Low | 49 Ų | 49 | 112.9 Ų | 112.9 | 41% | 0.405 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -63.5 | -29.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | A31 N39 | A31-A35 PolarHBondContact O-N 3.28Å; A35-N39 PolarHBondContact O-ND2 3.03Å |
| 36 | N | 55 | Low | 54.6 | Low | 126 Ų | 126 | 113.6 Ų | 113.6 | 67% | 0.674 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -78.8 | -27.6 | 177.5 | -94.9 | 23.9 | 0 | 0 | 0 | 113.6 | G32 L33 R34 | G32-N36 PolarHBondContact O-N 3.26Å; L33-N36 PolarHBondContact O-N 3.38Å; R34-N36 VanDerWaalsContact C-N 3.25Å; R34-N36 PolarHBondContact O-N 3.44Å |
| 37 | M | 57.2 | Low | 54.2 | Low | 145 Ų | 145 | 112.7 Ų | 112.7 | 71% | 0.714 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -75.1 | -39.7 | 175.5 | -68.9 | -169.7 | -61.3 | 0 | 0 | 111.8 | L33 R34 N39 G40 | L33-M37 PolarHBondContact O-N 2.79Å; R34-M37 PolarHBondContact O-N 3.24Å; M37-N39 VanDerWaalsContact C-N 3.3Å; M37-N39 PolarHBondContact O-N 2.99Å; M37-G40 PolarHBondContact O-N 2.84Å |
| 38 | D | 63.2 | Low | 54.4 | Low | 140 Ų | 140 | 106 Ų | 106 | 75% | 0.749 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -69.6 | -26.4 | -177 | -69.4 | -24.2 | 0 | 0 | 0 | 113.1 | R34 | R34-D38 PolarHBondContact O-N 3.22Å |
| 39 | N | 61 | Low | 54.3 | Low | 116 Ų | 116 | 111.8 Ų | 111.8 | 62% | 0.62 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | 1.1 | -179 | -71.4 | -46.2 | 0 | 0 | 0 | 114.3 | A35 M37 V42 | A35-N39 PolarHBondContact O-ND2 3.03Å; M37-N39 VanDerWaalsContact C-N 3.3Å; M37-N39 PolarHBondContact O-N 2.99Å; N39-V42 WeakPolarHBondContact O-CG2 3.41Å |
| 40 | G | 52.4 | Low | 54 | Low | 45 Ų | 45 | 107.9 Ų | 107.9 | 46% | 0.464 | 62% | 0.621 | S | S | . | * | trans | 60.4 | 174.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | M37 V42 | M37-G40 PolarHBondContact O-N 2.84Å; G40-V42 VanDerWaalsContact C-N 3.32Å; G40-V42 PolarHBondContact O-N 3.35Å | ||
| 41 | F | 58.2 | Low | 53.6 | Low | 197 Ų | 197 | 102.4 Ų | 102.4 | 86% | 0.864 | 60% | 0.602 | S | S | * | * | trans | -67.1 | 89.3 | 179 | -176 | -96.1 | 0 | 0 | 0 | 110.4 | A43 | F41-A43 HydrophobicContact CE1-CB 4.28Å; F41-A43 PolarHBondContact O-N 3.37Å | ||
| 42 | V | 51.9 | Low | 53.1 | Low | 102 Ų | 102 | 103.9 Ų | 103.9 | 62% | 0.618 | 61% | 0.608 | S | S | * | * | trans | -81.1 | 103.6 | 169.6 | -175.9 | 0 | 0 | 0 | 0 | 107 | N39 G40 | N39-V42 WeakPolarHBondContact O-CG2 3.41Å; G40-V42 VanDerWaalsContact C-N 3.32Å; G40-V42 PolarHBondContact O-N 3.35Å | ||
| 43 | A | 54.3 | Low | 52.7 | Low | 62 Ų | 62 | 111.2 Ų | 111.2 | 51% | 0.512 | 63% | 0.628 | S | S | . | * | trans | -52.6 | 130.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | F41 T45 | F41-A43 HydrophobicContact CE1-CB 4.28Å; F41-A43 PolarHBondContact O-N 3.37Å; A43-T45 PolarHBondContact O-N 2.73Å | ||
| 44 | P | 50.3 | Low | 52.1 | Low | 104 Ų | 104 | 115 Ų | 115 | 68% | 0.675 | 64% | 0.637 | S | S | * | * | trans | -57.8 | 119.9 | -171 | 20.6 | -31 | 0 | 0 | 0 | 109.7 | V46 | P44-V46 PolarHBondContact O-N 2.88Š| ||
| 45 | T | 46.6 | Very low | 51.3 | Low | 136 Ų | 136 | 111.4 Ų | 111.4 | 83% | 0.834 | 64% | 0.638 | S | S | * | * | trans | -65.1 | 83.5 | 172.4 | -46.3 | 0 | 0 | 0 | 0 | 108.1 | A43 S47 | A43-T45 PolarHBondContact O-N 2.73Å; T45-S47 PolarHBondContact O-N 2.98Å | ||
| 46 | V | 49.2 | Very low | 50.9 | Low | 80 Ų | 80 | 114 Ų | 114 | 49% | 0.485 | 65% | 0.654 | S | S | . | * | trans | -70.3 | 97.5 | 175.7 | -73.8 | 0 | 0 | 0 | 0 | 107.8 | P44 S48 A51 | P44-V46 PolarHBondContact O-N 2.88Å; V46-S48 PolarHBondContact O-N 2.79Å; V46-A51 HydrophobicContact CB-CB 4.41Å; V46-A51 HydrophobicContact CG2-CB 4.42Å | ||
| 47 | S | 41.6 | Very low | 50.6 | Low | 76 Ų | 76 | 111.2 Ų | 111.2 | 53% | 0.531 | 65% | 0.648 | S | S | . | * | trans | -44.1 | 126.2 | 161.4 | 159.6 | 0 | 0 | 0 | 0 | 108.1 | T45 K49 A50 A51 | T45-S47 PolarHBondContact O-N 2.98Å; S47-K49 PolarHBondContact O-N 2.67Å; S47-A50 PolarHBondContact O-N 2.74Å; S47-A51 PolarHBondContact O-N 3.38Å | ||
| 48 | S | 52.5 | Low | 49.9 | Very low | 112 Ų | 112 | 107.6 Ų | 107.6 | 78% | 0.783 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.6 | -13.6 | -173 | 44.1 | 0 | 0 | 0 | 0 | 113.6 | V46 | V46-S48 PolarHBondContact O-N 2.79Š|
| 49 | K | 48.6 | Very low | 49.4 | Very low | 195 Ų | 195 | 106.8 Ų | 106.8 | 85% | 0.848 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -24.5 | 172.3 | -151.9 | 171.6 | -174.6 | 178.9 | 0 | 113.7 | S47 | S47-K49 PolarHBondContact O-N 2.67Š|
| 50 | A | 50.8 | Low | 49 | Very low | 52 Ų | 52 | 107.2 Ų | 107.2 | 43% | 0.43 | 64% | 0.644 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96.2 | -20.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | S47 S52 K53 | S47-A50 PolarHBondContact O-N 2.74Å; A50-S52 PolarHBondContact O-N 2.96Å; A50-S52 VanDerWaalsContact O-N 3.13Å; A50-K53 PolarHBondContact O-N 2.83Å |
| 51 | A | 47.2 | Very low | 48.7 | Very low | 36 Ų | 36 | 109.1 Ų | 109.1 | 30% | 0.298 | 65% | 0.65 | S | S | . | * | G | 310 helix | trans | -59.2 | -23.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | V46 S47 K53 Y54 S55 | V46-A51 HydrophobicContact CB-CB 4.41Å; V46-A51 HydrophobicContact CG2-CB 4.42Å; S47-A51 PolarHBondContact O-N 3.38Å; A51-K53 PolarHBondContact O-N 2.89Å; A51-Y54 CarbonylContact O-C 3.41Å; A51-Y54 PolarHBondContact O-N 3.37Å; A51-S55 PolarHBondContact O-N 2.73Å |
| 52 | S | 46.7 | Very low | 48.2 | Very low | 98 Ų | 98 | 105.5 Ų | 105.5 | 69% | 0.685 | 64% | 0.639 | S | S | * | * | G | 310 helix | trans | -64.6 | -16.3 | 174.2 | -175.5 | 0 | 0 | 0 | 0 | 114.2 | A50 | A50-S52 PolarHBondContact O-N 2.96Å; A50-S52 VanDerWaalsContact O-N 3.13Å |
| 53 | K | 47.7 | Very low | 48.4 | Very low | 195 Ų | 195 | 109.9 Ų | 109.9 | 85% | 0.848 | 65% | 0.65 | S | S | * | * | G | 310 helix | trans | -87.4 | -13.4 | 172 | -72.1 | -167.5 | 179 | -174.5 | 0 | 113.5 | A50 A51 S55 | A50-K53 PolarHBondContact O-N 2.83Å; A51-K53 PolarHBondContact O-N 2.89Å; K53-S55 VanDerWaalsContact C-N 3.35Å |
| 54 | Y | 46.9 | Very low | 48.5 | Very low | 177 Ų | 177 | 112.8 Ų | 112.8 | 69% | 0.694 | 66% | 0.663 | S | S | * | * | G | 310 helix | trans | -103.7 | 31.8 | 169.5 | -60 | -84.9 | 0 | 0 | 0 | 110.6 | A51 S56 | A51-Y54 CarbonylContact O-C 3.41Å; A51-Y54 PolarHBondContact O-N 3.37Å; Y54-S56 PolarHBondContact O-N 3.5Å |
| 55 | S | 40.2 | Very low | 48.8 | Very low | 96 Ų | 96 | 114.5 Ų | 114.5 | 67% | 0.671 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -57.1 | 98.6 | 150.7 | 176.8 | 0 | 0 | 0 | 0 | 104.8 | A51 K53 A57 | A51-S55 PolarHBondContact O-N 2.73Å; K53-S55 VanDerWaalsContact C-N 3.35Å; S55-A57 PolarHBondContact O-N 2.9Å |
| 56 | S | 47.1 | Very low | 49.3 | Very low | 104 Ų | 104 | 111.9 Ų | 111.9 | 73% | 0.727 | 65% | 0.653 | S | S | * | * | trans | -34.3 | 109.5 | 174.3 | -51.5 | 0 | 0 | 0 | 0 | 106.7 | Y54 S58 | Y54-S56 PolarHBondContact O-N 3.5Å; S56-S58 VanDerWaalsContact C-N 3.26Å; S56-S58 PolarHBondContact O-N 3.33Å | ||
| 57 | A | 48.4 | Very low | 49.9 | Very low | 68 Ų | 68 | 113.1 Ų | 113.1 | 56% | 0.562 | 67% | 0.666 | S | S | * | * | trans | -53.8 | 106.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 103.9 | S55 V59 | S55-A57 PolarHBondContact O-N 2.9Å; A57-V59 PolarHBondContact O-N 3.31Å | ||
| 58 | S | 42.9 | Very low | 50.6 | Low | 69 Ų | 69 | 118.6 Ų | 118.6 | 48% | 0.483 | 68% | 0.68 | S | S | . | * | trans | -52.5 | 117 | -179.6 | -179.3 | 0 | 0 | 0 | 0 | 104.3 | S56 T60 S61 | S56-S58 VanDerWaalsContact C-N 3.26Å; S56-S58 PolarHBondContact O-N 3.33Å; S58-T60 PolarHBondContact O-N 3.28Å; S58-T60 PolarHBondContact OG-OG1 3.23Å; S58-S61 PolarHBondContact O-N 3.35Å; S58-S61 PolarHBondContact O-OG 3.39Å | ||
| 59 | V | 52.4 | Low | 50.8 | Low | 122 Ų | 122 | 119.3 Ų | 119.3 | 74% | 0.739 | 67% | 0.671 | S | S | * | * | G | 310 helix | trans | -56 | -10.4 | -175.1 | -85.1 | 0 | 0 | 0 | 0 | 112.3 | A57 S61 L62 | A57-V59 PolarHBondContact O-N 3.31Å; V59-S61 PolarHBondContact O-N 3.16Å; V59-L62 HydrophobicContact CG1-CD1 4.47Å |
| 60 | T | 52.4 | Low | 51 | Low | 126 Ų | 126 | 118.1 Ų | 118.1 | 77% | 0.773 | 67% | 0.671 | S | S | * | * | G | 310 helix | trans | -69.9 | -7.7 | 167 | 46.8 | 0 | 0 | 0 | 0 | 115.6 | S58 | S58-T60 PolarHBondContact O-N 3.28Å; S58-T60 PolarHBondContact OG-OG1 3.23Å |
| 61 | S | 46.9 | Very low | 51.1 | Low | 84 Ų | 84 | 122.1 Ų | 122.1 | 59% | 0.587 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -111.5 | -2.1 | -179.1 | 53.3 | 0 | 0 | 0 | 0 | 114.6 | S58 V59 K63 | S58-S61 PolarHBondContact O-N 3.35Å; S58-S61 PolarHBondContact O-OG 3.39Å; V59-S61 PolarHBondContact O-N 3.16Å; S61-K63 VanDerWaalsContact C-N 3.34Å; S61-K63 PolarHBondContact O-N 2.95Å |
| 62 | L | 47.9 | Very low | 51 | Low | 122 Ų | 122 | 124.7 Ų | 124.7 | 64% | 0.639 | 71% | 0.706 | S | S | * | * | trans | -75.2 | 90.5 | 169.4 | -61.2 | 179.5 | 0 | 0 | 0 | 108.3 | V59 | V59-L62 HydrophobicContact CG1-CD1 4.47Š| ||
| 63 | K | 55.3 | Low | 50.8 | Low | 193 Ų | 193 | 123.1 Ų | 123.1 | 84% | 0.839 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 130 | 163.8 | -93.4 | -179.1 | 178.4 | 174.2 | 0 | 107.5 | S61 L65 | S61-K63 VanDerWaalsContact C-N 3.34Å; S61-K63 PolarHBondContact O-N 2.95Å; K63-L65 PolarHBondContact O-N 3Å |
| 64 | P | 57.3 | Low | 50.8 | Low | 123 Ų | 123 | 119.9 Ų | 119.9 | 80% | 0.799 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 132.5 | 179.6 | 18.1 | -29 | 0 | 0 | 0 | 110.2 | S66 | P64-S66 PolarHBondContact O-N 2.84Š|
| 65 | L | 56.4 | Low | 50.7 | Low | 140 Ų | 140 | 117.4 Ų | 117.4 | 73% | 0.733 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 127.8 | 173.9 | -70.9 | 159.8 | 0 | 0 | 0 | 107.9 | K63 E69 | K63-L65 PolarHBondContact O-N 3Å; L65-E69 WeakPolarHBondContact CD2-OE2 3.11Å |
| 66 | S | 58 | Low | 50.9 | Low | 81 Ų | 81 | 117.9 Ų | 117.9 | 57% | 0.566 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 140 | -178.5 | 170.6 | 0 | 0 | 0 | 0 | 108.7 | P64 K68 E69 | P64-S66 PolarHBondContact O-N 2.84Å; S66-K68 PolarHBondContact O-N 3.49Å; S66-E69 PolarHBondContact O-N 2.73Å |
| 67 | S | 60.9 | Low | 50.4 | Low | 107 Ų | 107 | 118.6 Ų | 118.6 | 75% | 0.748 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.7 | -15.4 | -174.9 | -38.3 | 0 | 0 | 0 | 0 | 114.9 | E69 | S67-E69 VanDerWaalsContact C-N 3.32Å; S67-E69 PolarHBondContact O-N 3.38Å |
| 68 | K | 56.7 | Low | 50.1 | Low | 191 Ų | 191 | 119.1 Ų | 119.1 | 83% | 0.83 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | -25.1 | 176.8 | -165.7 | 167.7 | -176.5 | 176.4 | 0 | 114 | S66 | S66-K68 PolarHBondContact O-N 3.49Š|
| 69 | E | 55.6 | Low | 49.8 | Very low | 126 Ų | 126 | 125.2 Ų | 125.2 | 59% | 0.589 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -87.7 | -19 | -174.8 | -67.5 | 166.4 | 143.6 | 0 | 0 | 113.2 | L65 S66 S67 N71 | L65-E69 WeakPolarHBondContact CD2-OE2 3.11Å; S66-E69 PolarHBondContact O-N 2.73Å; S67-E69 VanDerWaalsContact C-N 3.32Å; S67-E69 PolarHBondContact O-N 3.38Å; E69-N71 VanDerWaalsContact C-N 3.34Å; E69-N71 PolarHBondContact O-N 2.88Å |
| 70 | M | 53.8 | Low | 49.1 | Very low | 171 Ų | 171 | 121.4 Ų | 121.4 | 84% | 0.842 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -77.9 | -9 | -175.6 | -90.9 | 176.7 | 55.4 | 0 | 0 | 115.4 | ||
| 71 | N | 52.2 | Low | 48.9 | Very low | 136 Ų | 136 | 121.4 Ų | 121.4 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | trans | -105.3 | 38 | -174.1 | -161 | 14.2 | 0 | 0 | 0 | 113.6 | E69 | E69-N71 VanDerWaalsContact C-N 3.34Å; E69-N71 PolarHBondContact O-N 2.88Å | ||
| 72 | A | 46.1 | Very low | 48.9 | Very low | 89 Ų | 89 | 122.9 Ų | 122.9 | 74% | 0.736 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -124.3 | 86.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 73 | G | 41.6 | Very low | 48.7 | Very low | 65 Ų | 65 | 122 Ų | 122 | 67% | 0.67 | 75% | 0.754 | S | S | * | * | trans | 93.6 | 109 | 145.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 74 | S | 48.5 | Very low | 48.1 | Very low | 127 Ų | 127 | 114.9 Ų | 114.9 | 89% | 0.888 | 74% | 0.735 | S | S | * | * | trans | -171.7 | 77.3 | 134 | -79.9 | 0 | 0 | 0 | 0 | 109.3 | A76 | S74-A76 PolarHBondContact O-N 3.42Š| ||
| 75 | S | 43.9 | Very low | 47.9 | Very low | 126 Ų | 126 | 114.6 Ų | 114.6 | 88% | 0.881 | 73% | 0.726 | S | S | * | * | trans | -87.6 | 96.3 | 172.1 | -43 | 0 | 0 | 0 | 0 | 108.7 | S77 | S75-S77 PolarHBondContact O-N 2.99Š| ||
| 76 | A | 45.2 | Very low | 47.7 | Very low | 105 Ų | 105 | 110.6 Ų | 110.6 | 87% | 0.868 | 71% | 0.713 | S | S | * | * | trans | -74 | 111 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | S74 | S74-A76 PolarHBondContact O-N 3.42Š| ||
| 77 | S | 36.7 | Very low | 47.9 | Very low | 120 Ų | 120 | 110 Ų | 110 | 84% | 0.839 | 71% | 0.706 | S | S | * | * | trans | -69.1 | 124.9 | 170.3 | 161.3 | 0 | 0 | 0 | 0 | 109.6 | S75 | S75-S77 PolarHBondContact O-N 2.99Š| ||
| 78 | G | 40.7 | Very low | 47.6 | Very low | 78 Ų | 78 | 109.5 Ų | 109.5 | 80% | 0.804 | 69% | 0.691 | S | S | * | * | trans | -151.9 | 73.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 79 | E | 36.4 | Very low | 47.9 | Very low | 197 Ų | 197 | 103 Ų | 103 | 92% | 0.921 | 67% | 0.672 | S | S | * | * | trans | -78.3 | 119.3 | 170.7 | -159 | 167.3 | -161.2 | 0 | 0 | 108.2 | ||||
| 80 | G | 38.4 | Very low | 48.3 | Very low | 42 Ų | 42 | 105 Ų | 105 | 43% | 0.433 | 67% | 0.674 | S | S | . | * | trans | 139 | 62.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | T82 T83 G84 | G80-T82 PolarHBondContact O-N 3.17Å; G80-T83 PolarHBondContact O-N 3.03Å; G80-G84 PolarHBondContact O-N 3.28Å | ||
| 81 | T | 49.1 | Very low | 48.7 | Very low | 126 Ų | 126 | 102.3 Ų | 102.3 | 77% | 0.773 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.1 | -6.2 | -171.2 | 7.5 | 0 | 0 | 0 | 0 | 117 | I85 | T81-I85 VanDerWaalsContact O-CD1 3.23Å; T81-I85 WeakPolarHBondContact O-CD1 3.31Å; T81-I85 WeakPolarHBondContact O-CG1 3.27Å |
| 82 | T | 47.1 | Very low | 49.2 | Very low | 116 Ų | 116 | 99.1 Ų | 99.1 | 71% | 0.712 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.5 | -38 | 178.2 | 42.3 | 0 | 0 | 0 | 0 | 113.4 | G80 G84 I85 A86 | G80-T82 PolarHBondContact O-N 3.17Å; T82-G84 VanDerWaalsContact C-N 3.31Å; T82-G84 PolarHBondContact O-N 3.39Å; T82-I85 PolarHBondContact O-N 3.37Å; T82-A86 PolarHBondContact O-N 2.92Å |
| 83 | T | 42.5 | Very low | 49.9 | Very low | 103 Ų | 103 | 99.6 Ų | 99.6 | 63% | 0.632 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -68 | -34.2 | 176 | -48.5 | 0 | 0 | 0 | 0 | 111.4 | G80 T87 | G80-T83 PolarHBondContact O-N 3.03Å; T83-T87 WeakPolarHBondContact O-CB 3.48Å; T83-T87 PolarHBondContact O-N 3.48Å; T83-T87 VanDerWaalsContact O-N 3.13Å; T83-T87 PolarHBondContact O-OG1 3.27Å |
| 84 | G | 43.3 | Very low | 50.9 | Low | 44 Ų | 44 | 104.2 Ų | 104.2 | 45% | 0.454 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -61.5 | -44.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | G80 T82 T87 F88 | G80-G84 PolarHBondContact O-N 3.28Å; T82-G84 VanDerWaalsContact C-N 3.31Å; T82-G84 PolarHBondContact O-N 3.39Å; G84-T87 PolarHBondContact O-N 3.33Å; G84-F88 VanDerWaalsContact O-CB 3.3Å; G84-F88 WeakPolarHBondContact O-CB 3.35Å; G84-F88 PolarHBondContact O-N 3.3Å |
| 85 | I | 53.5 | Low | 51.6 | Low | 116 Ų | 116 | 101.7 Ų | 101.7 | 60% | 0.595 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -67.5 | -45 | -177.6 | -59.8 | 174.3 | 0 | 0 | 0 | 110.9 | T81 T82 T87 F88 A89 | T81-I85 VanDerWaalsContact O-CD1 3.23Å; T81-I85 WeakPolarHBondContact O-CD1 3.31Å; T81-I85 WeakPolarHBondContact O-CG1 3.27Å; T82-I85 PolarHBondContact O-N 3.37Å; I85-T87 VanDerWaalsContact C-N 3.26Å; I85-T87 PolarHBondContact O-N 2.9Å; I85-F88 PolarHBondContact O-N 2.97Å; I85-A89 WeakPolarHBondContact O-CB 3.35Å; I85-A89 PolarHBondContact O-N 3.2Å |
| 86 | A | 52.3 | Low | 52.3 | Low | 56 Ų | 56 | 98.1 Ų | 98.1 | 46% | 0.463 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -63.5 | -34.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | T82 R90 | T82-A86 PolarHBondContact O-N 2.92Å; A86-R90 WeakPolarHBondContact O-CG 3.41Å; A86-R90 PolarHBondContact O-N 3.42Å |
| 87 | T | 61.1 | Low | 53 | Low | 69 Ų | 69 | 97.8 Ų | 97.8 | 42% | 0.423 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -71.8 | -41.5 | 176.6 | -54.4 | 0 | 0 | 0 | 0 | 110.9 | T83 G84 I85 R90 Q91 | T83-T87 WeakPolarHBondContact O-CB 3.48Å; T83-T87 PolarHBondContact O-N 3.48Å; T83-T87 VanDerWaalsContact O-N 3.13Å; T83-T87 PolarHBondContact O-OG1 3.27Å; G84-T87 PolarHBondContact O-N 3.33Å; I85-T87 VanDerWaalsContact C-N 3.26Å; I85-T87 PolarHBondContact O-N 2.9Å; T87-R90 PolarHBondContact O-N 2.96Å; T87-Q91 WeakPolarHBondContact O-CG 3.48Å; T87-Q91 PolarHBondContact O-N 3.33Å |
| 88 | F | 55.7 | Low | 54.1 | Low | 97 Ų | 97 | 98.6 Ų | 98.6 | 43% | 0.425 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.1 | -44.6 | 176.3 | -178 | -112.2 | 0 | 0 | 0 | 112.3 | G84 I85 R90 Q91 I92 L129 | G84-F88 VanDerWaalsContact O-CB 3.3Å; G84-F88 WeakPolarHBondContact O-CB 3.35Å; G84-F88 PolarHBondContact O-N 3.3Å; I85-F88 PolarHBondContact O-N 2.97Å; F88-R90 VanDerWaalsContact C-N 3.32Å; F88-R90 PolarHBondContact O-N 2.69Å; F88-Q91 WeakPolarHBondContact O-CB 3.36Å; F88-Q91 PolarHBondContact O-N 3.16Å; F88-Q91 VanDerWaalsContact O-N 3.11Å; F88-I92 HydrophobicContact CD1-CD1 3.76Å; F88-I92 HydrophobicContact CE1-CD1 3.27Å; F88-I92 HydrophobicContact CE1-CG1 4.31Å; F88-I92 HydrophobicContact CE2-CD1 4.14Å; F88-I92 HydrophobicContact CE2-CG1 4.38Å; F88-I92 HydrophobicContact CG-CD1 4.38Å; F88-I92 HydrophobicContact CZ-CD1 3.49Å; F88-I92 VanDerWaalsContact CZ-CD1 3.49Å; F88-I92 HydrophobicContact CZ-CG1 4.18Å; F88-I92 PolarHBondContact O-N 2.88Å; F88-L129 HydrophobicContact CE1-CD2 4.13Å; F88-L129 HydrophobicContact CZ-CD2 4Å |
| 89 | A | 61.5 | Low | 54.9 | Low | 53 Ų | 53 | 100 Ų | 100 | 44% | 0.438 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -59.5 | -43.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | I85 Q91 I92 Q93 | I85-A89 WeakPolarHBondContact O-CB 3.35Å; I85-A89 PolarHBondContact O-N 3.2Å; A89-Q91 VanDerWaalsContact C-N 3.33Å; A89-Q91 PolarHBondContact O-N 3.11Å; A89-I92 PolarHBondContact O-N 2.95Å; A89-Q93 WeakPolarHBondContact O-CB 3.36Å; A89-Q93 PolarHBondContact O-N 3.36Å |
| 90 | R | 63.9 | Low | 55.5 | Low | 169 Ų | 169 | 92.8 Ų | 92.8 | 64% | 0.638 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66.5 | -32 | 174.9 | -75 | -177.9 | -179.9 | -163.3 | 0.3 | 113.1 | A86 T87 F88 R94 | A86-R90 WeakPolarHBondContact O-CG 3.41Å; A86-R90 PolarHBondContact O-N 3.42Å; T87-R90 PolarHBondContact O-N 2.96Å; F88-R90 VanDerWaalsContact C-N 3.32Å; F88-R90 PolarHBondContact O-N 2.69Å; R90-R94 WeakPolarHBondContact O-CG 3.13Å; R90-R94 PolarHBondContact O-N 2.93Å; R90-R94 VanDerWaalsContact O-N 3.16Å |
| 91 | Q | 62.5 | Low | 56.5 | Low | 114 Ų | 114 | 95 Ų | 95 | 53% | 0.533 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -69.2 | -44.5 | 174.8 | -76.7 | 175.3 | -2.9 | 0 | 0 | 111.2 | T87 F88 A89 Q93 R94 V95 | T87-Q91 WeakPolarHBondContact O-CG 3.48Å; T87-Q91 PolarHBondContact O-N 3.33Å; F88-Q91 WeakPolarHBondContact O-CB 3.36Å; F88-Q91 PolarHBondContact O-N 3.16Å; F88-Q91 VanDerWaalsContact O-N 3.11Å; A89-Q91 VanDerWaalsContact C-N 3.33Å; A89-Q91 PolarHBondContact O-N 3.11Å; Q91-Q93 VanDerWaalsContact C-N 3.33Å; Q91-Q93 PolarHBondContact O-N 3.41Å; Q91-R94 PolarHBondContact O-N 2.93Å; Q91-V95 WeakPolarHBondContact O-CG2 3.39Å; Q91-V95 PolarHBondContact O-N 3.18Å |
| 92 | I | 64 | Low | 56.6 | Low | 69 Ų | 69 | 93.7 Ų | 93.7 | 35% | 0.354 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.3 | -44.7 | 175 | -66.8 | 168.5 | 0 | 0 | 0 | 110.3 | F88 A89 R94 V95 L96 | F88-I92 HydrophobicContact CD1-CD1 3.76Å; F88-I92 HydrophobicContact CE1-CD1 3.27Å; F88-I92 HydrophobicContact CE1-CG1 4.31Å; F88-I92 HydrophobicContact CE2-CD1 4.14Å; F88-I92 HydrophobicContact CE2-CG1 4.38Å; F88-I92 HydrophobicContact CG-CD1 4.38Å; F88-I92 HydrophobicContact CZ-CD1 3.49Å; F88-I92 VanDerWaalsContact CZ-CD1 3.49Å; F88-I92 HydrophobicContact CZ-CG1 4.18Å; F88-I92 PolarHBondContact O-N 2.88Å; A89-I92 PolarHBondContact O-N 2.95Å; I92-R94 VanDerWaalsContact C-N 3.31Å; I92-R94 PolarHBondContact O-N 3.4Å; I92-V95 PolarHBondContact O-N 2.87Å; I92-L96 HydrophobicContact CG2-CD1 3.75Å; I92-L96 HydrophobicContact CG2-CG 4.13Å; I92-L96 WeakPolarHBondContact O-CG 3.47Å; I92-L96 PolarHBondContact O-N 2.92Å |
| 93 | Q | 59 | Low | 56.7 | Low | 100 Ų | 100 | 95.8 Ų | 95.8 | 47% | 0.467 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.3 | -44.1 | 179.3 | -171.8 | -179.7 | -13.3 | 0 | 0 | 111.6 | A89 Q91 L96 E97 | A89-Q93 WeakPolarHBondContact O-CB 3.36Å; A89-Q93 PolarHBondContact O-N 3.36Å; Q91-Q93 VanDerWaalsContact C-N 3.33Å; Q91-Q93 PolarHBondContact O-N 3.41Å; Q93-L96 PolarHBondContact O-N 3.26Å; Q93-E97 WeakPolarHBondContact CG-OE1 3.3Å; Q93-E97 PolarHBondContact NE2-OE1 3.32Å; Q93-E97 WeakPolarHBondContact O-CB 3.4Å; Q93-E97 WeakPolarHBondContact O-CG 3.44Å; Q93-E97 PolarHBondContact O-N 3.36Å |
| 94 | R | 62.9 | Low | 56.9 | Low | 161 Ų | 161 | 98.8 Ų | 98.8 | 61% | 0.608 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.4 | -43.2 | 175.7 | -72 | -176.8 | -147.4 | -153.1 | 3.9 | 112.7 | R90 Q91 I92 L96 E97 D98 | R90-R94 WeakPolarHBondContact O-CG 3.13Å; R90-R94 PolarHBondContact O-N 2.93Å; R90-R94 VanDerWaalsContact O-N 3.16Å; Q91-R94 PolarHBondContact O-N 2.93Å; I92-R94 VanDerWaalsContact C-N 3.31Å; I92-R94 PolarHBondContact O-N 3.4Å; R94-L96 VanDerWaalsContact C-N 3.28Å; R94-L96 PolarHBondContact O-N 3.47Å; R94-E97 PolarHBondContact O-N 3.35Å; R94-D98 VanDerWaalsContact O-CB 3.31Å; R94-D98 WeakPolarHBondContact O-CB 3.39Å; R94-D98 VanDerWaalsContact O-CG 3.22Å; R94-D98 PolarHBondContact O-N 3.13Å |
| 95 | V | 62.9 | Low | 56.7 | Low | 74 Ų | 74 | 102.2 Ų | 102.2 | 45% | 0.448 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60 | -41.2 | 176.7 | 172.9 | 0 | 0 | 0 | 0 | 110.7 | Q91 I92 D99 | Q91-V95 WeakPolarHBondContact O-CG2 3.39Å; Q91-V95 PolarHBondContact O-N 3.18Å; I92-V95 PolarHBondContact O-N 2.87Å; V95-D99 VanDerWaalsContact O-CB 3.27Å; V95-D99 WeakPolarHBondContact O-CB 3.37Å; V95-D99 PolarHBondContact O-N 2.74Å |
| 96 | L | 60.2 | Low | 55.9 | Low | 52 Ų | 52 | 103.4 Ų | 103.4 | 27% | 0.272 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -72.8 | -32.3 | 178.7 | -65.1 | 175.2 | 0 | 0 | 0 | 113.6 | I92 Q93 R94 G100 L101 L102 | I92-L96 HydrophobicContact CG2-CD1 3.75Å; I92-L96 HydrophobicContact CG2-CG 4.13Å; I92-L96 WeakPolarHBondContact O-CG 3.47Å; I92-L96 PolarHBondContact O-N 2.92Å; Q93-L96 PolarHBondContact O-N 3.26Å; R94-L96 VanDerWaalsContact C-N 3.28Å; R94-L96 PolarHBondContact O-N 3.47Å; L96-G100 PolarHBondContact O-N 3.41Å; L96-L101 HydrophobicContact CD2-CB 4.09Å; L96-L101 HydrophobicContact CD2-CD1 3.88Å; L96-L101 PolarHBondContact O-N 3.35Å; L96-L102 HydrophobicContact CB-CG 4.19Å; L96-L102 PolarHBondContact O-N 2.84Å |
| 97 | E | 60.3 | Low | 54.9 | Low | 98 Ų | 98 | 103.6 Ų | 103.6 | 46% | 0.458 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.5 | -47.1 | 171.6 | -76.8 | 171.7 | -170.4 | 0 | 0 | 111 | Q93 R94 G100 L102 | Q93-E97 WeakPolarHBondContact CG-OE1 3.3Å; Q93-E97 PolarHBondContact NE2-OE1 3.32Å; Q93-E97 WeakPolarHBondContact O-CB 3.4Å; Q93-E97 WeakPolarHBondContact O-CG 3.44Å; Q93-E97 PolarHBondContact O-N 3.36Å; R94-E97 PolarHBondContact O-N 3.35Å; E97-G100 PolarHBondContact O-N 2.74Å; E97-G100 VanDerWaalsContact O-N 3.16Å; E97-L102 HydrophobicContact CG-CD1 3.46Å; E97-L102 VanDerWaalsContact CG-CD1 3.46Å; E97-L102 HydrophobicContact CG-CG 4.45Å |
| 98 | D | 58.6 | Low | 54 | Low | 136 Ų | 136 | 108.1 Ų | 108.1 | 73% | 0.727 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -66.2 | -38.6 | -179.3 | -72.3 | -15.1 | 0 | 0 | 0 | 111.8 | R94 G100 | R94-D98 VanDerWaalsContact O-CB 3.31Å; R94-D98 WeakPolarHBondContact O-CB 3.39Å; R94-D98 VanDerWaalsContact O-CG 3.22Å; R94-D98 PolarHBondContact O-N 3.13Å; D98-G100 PolarHBondContact O-N 3.46Å |
| 99 | D | 57 | Low | 53.6 | Low | 108 Ų | 108 | 112.8 Ų | 112.8 | 58% | 0.578 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | -4.9 | 176.8 | -70.7 | -20 | 0 | 0 | 0 | 112.8 | V95 L101 | V95-D99 VanDerWaalsContact O-CB 3.27Å; V95-D99 WeakPolarHBondContact O-CB 3.37Å; V95-D99 PolarHBondContact O-N 2.74Å; D99-L101 HydrophobicContact CB-CD1 4.03Å; D99-L101 HydrophobicContact CB-CG 3.96Å; D99-L101 PolarHBondContact O-N 3.06Å |
| 100 | G | 50.9 | Low | 52.9 | Low | 46 Ų | 46 | 117.1 Ų | 117.1 | 47% | 0.474 | 58% | 0.58 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 66.5 | 18.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | L96 E97 D98 L102 | L96-G100 PolarHBondContact O-N 3.41Å; E97-G100 PolarHBondContact O-N 2.74Å; E97-G100 VanDerWaalsContact O-N 3.16Å; D98-G100 PolarHBondContact O-N 3.46Å; G100-L102 VanDerWaalsContact C-N 3.35Å |
| 101 | L | 57.8 | Low | 51.8 | Low | 89 Ų | 89 | 113.1 Ų | 113.1 | 47% | 0.466 | 58% | 0.578 | S | S | . | * | trans | -82.2 | -14.7 | 179.8 | -67.2 | 175.6 | 0 | 0 | 0 | 112.8 | L96 D99 Y103 | L96-L101 HydrophobicContact CD2-CB 4.09Å; L96-L101 HydrophobicContact CD2-CD1 3.88Å; L96-L101 PolarHBondContact O-N 3.35Å; D99-L101 HydrophobicContact CB-CD1 4.03Å; D99-L101 HydrophobicContact CB-CG 3.96Å; D99-L101 PolarHBondContact O-N 3.06Å; L101-Y103 WeakPolarHBondContact O-CD2 3.47Å; L101-Y103 PolarHBondContact O-N 3.48Å | ||
| 102 | L | 51 | Low | 51 | Low | 98 Ų | 98 | 109.5 Ų | 109.5 | 51% | 0.513 | 57% | 0.565 | S | S | . | * | S | Bend | trans | -75.4 | 80.7 | 160.5 | -70.5 | -175.4 | 0 | 0 | 0 | 108.6 | L96 E97 G100 Q104 | L96-L102 HydrophobicContact CB-CG 4.19Å; L96-L102 PolarHBondContact O-N 2.84Å; E97-L102 HydrophobicContact CG-CD1 3.46Å; E97-L102 VanDerWaalsContact CG-CD1 3.46Å; E97-L102 HydrophobicContact CG-CG 4.45Å; G100-L102 VanDerWaalsContact C-N 3.35Å; L102-Q104 PolarHBondContact O-N 3.44Å |
| 103 | Y | 50 | Low | 50.1 | Low | 159 Ų | 159 | 113.8 Ų | 113.8 | 62% | 0.624 | 58% | 0.581 | S | S | * | * | trans | -54.7 | 112.5 | 166.8 | -69.9 | -79.8 | 0 | 0 | 0 | 108 | L101 Y105 | L101-Y103 WeakPolarHBondContact O-CD2 3.47Å; L101-Y103 PolarHBondContact O-N 3.48Å; Y103-Y105 PolarHBondContact O-N 3.09Å | ||
| 104 | Q | 45.8 | Very low | 49.5 | Very low | 166 Ų | 166 | 117.5 Ų | 117.5 | 78% | 0.776 | 59% | 0.592 | S | S | * | * | trans | -52.6 | 111.5 | 161.6 | -174.1 | 163 | 37.8 | 0 | 0 | 105.1 | L102 I106 | L102-Q104 PolarHBondContact O-N 3.44Å; Q104-I106 HydrophobicContact CB-CG1 4.28Å; Q104-I106 HydrophobicContact CG-CG1 3.99Å; Q104-I106 WeakPolarHBondContact O-CG1 3.47Å; Q104-I106 PolarHBondContact O-N 3.19Å | ||
| 105 | Y | 40.2 | Very low | 48.6 | Very low | 116 Ų | 116 | 116.3 Ų | 116.3 | 46% | 0.455 | 59% | 0.593 | S | S | . | * | trans | -68.3 | 74.2 | -179.9 | -137.6 | -89.8 | 0 | 0 | 0 | 107.2 | Y103 G107 P112 Y116 | Y103-Y105 PolarHBondContact O-N 3.09Å; Y105-G107 PolarHBondContact O-N 3.39Å; Y105-P112 WeakPolarHBondContact OH-CD 3.22Å; Y105-P112 VanDerWaalsContact OH-CG 3.25Å; Y105-P112 WeakPolarHBondContact OH-CG 3.19Å; Y105-Y116 HydrophobicContact CD2-CE2 4.49Å; Y105-Y116 HydrophobicContact CE2-CD2 4.4Å; Y105-Y116 AromaticContact CE2-CE2 3.61Å; Y105-Y116 HydrophobicContact CE2-CE2 3.61Å | ||
| 106 | I | 35.7 | Very low | 47.8 | Very low | 141 Ų | 141 | 117.2 Ų | 117.2 | 72% | 0.723 | 59% | 0.589 | S | S | * | * | trans | -73.4 | 119.2 | 171.8 | -53.9 | 165.8 | 0 | 0 | 0 | 103.7 | Q104 | Q104-I106 HydrophobicContact CB-CG1 4.28Å; Q104-I106 HydrophobicContact CG-CG1 3.99Å; Q104-I106 WeakPolarHBondContact O-CG1 3.47Å; Q104-I106 PolarHBondContact O-N 3.19Å | ||
| 107 | G | 33 | Very low | 47.4 | Very low | 60 Ų | 60 | 118.2 Ų | 118.2 | 62% | 0.619 | 60% | 0.597 | S | S | * | * | trans | -51.6 | 140.7 | -157.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y105 | Y105-G107 PolarHBondContact O-N 3.39Š| ||
| 108 | E | 40.7 | Very low | 47 | Very low | 164 Ų | 164 | 119.3 Ų | 119.3 | 77% | 0.766 | 60% | 0.602 | S | S | * | * | trans | -147.6 | 122 | 138.8 | -107.5 | 172.8 | -161.6 | 0 | 0 | 106.2 | N110 | E108-N110 PolarHBondContact O-N 3Š| ||
| 109 | E | 48.5 | Very low | 46.7 | Very low | 196 Ų | 196 | 117.8 Ų | 117.8 | 92% | 0.916 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -67.7 | 69 | 179.9 | -58.5 | -178.1 | 176.7 | 0 | 0 | 109.4 | ||
| 110 | N | 45.7 | Very low | 46.5 | Very low | 143 Ų | 143 | 117.6 Ų | 117.6 | 77% | 0.765 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -158.3 | 57.3 | 175.5 | -90 | -49 | 0 | 0 | 0 | 111 | E108 P112 | E108-N110 PolarHBondContact O-N 3Å; N110-P112 VanDerWaalsContact O-CD 3.24Å; N110-P112 WeakPolarHBondContact O-CD 3.31Å |
| 111 | S | 40.8 | Very low | 46.6 | Very low | 85 Ų | 85 | 120.8 Ų | 120.8 | 59% | 0.594 | 60% | 0.595 | S | S | * | * | trans | 28 | 82.1 | 153 | 178.6 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 112 | P | 46.9 | Very low | 46.4 | Very low | 39 Ų | 39 | 122.9 Ų | 122.9 | 25% | 0.253 | 60% | 0.602 | S | S | . | * | trans | -102.3 | 29.6 | 157 | 36.6 | -34.2 | 0 | 0 | 0 | 113 | Y105 N110 Y114 E115 Y116 | Y105-P112 WeakPolarHBondContact OH-CD 3.22Å; Y105-P112 VanDerWaalsContact OH-CG 3.25Å; Y105-P112 WeakPolarHBondContact OH-CG 3.19Å; N110-P112 VanDerWaalsContact O-CD 3.24Å; N110-P112 WeakPolarHBondContact O-CD 3.31Å; P112-Y114 PolarHBondContact O-N 2.85Å; P112-Y114 VanDerWaalsContact O-N 3.07Å; P112-E115 HydrophobicContact CB-CB 4.35Å; P112-E115 PolarHBondContact O-N 2.85Å; P112-Y116 HydrophobicContact CG-CE2 4.5Å; P112-Y116 WeakPolarHBondContact O-CD2 3.06Å; P112-Y116 PolarHBondContact O-N 2.87Å | ||
| 113 | F | 43.5 | Very low | 46.4 | Very low | 159 Ų | 159 | 123.9 Ų | 123.9 | 70% | 0.697 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -54.1 | -26.1 | 166.9 | -88.5 | -80.6 | 0 | 0 | 0 | 112.1 | T117 | F113-T117 PolarHBondContact O-OG1 2.96Å |
| 114 | Y | 47.1 | Very low | 46.5 | Very low | 178 Ų | 178 | 119.2 Ų | 119.2 | 70% | 0.698 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -75.5 | -28 | 175.2 | -77 | -82 | 0 | 0 | 0 | 114.2 | P112 T117 H118 | P112-Y114 PolarHBondContact O-N 2.85Å; P112-Y114 VanDerWaalsContact O-N 3.07Å; Y114-T117 PolarHBondContact O-OG1 3.42Å; Y114-H118 PolarHBondContact O-CD2 3.05Å |
| 115 | E | 44.2 | Very low | 46.8 | Very low | 136 Ų | 136 | 117.6 Ų | 117.6 | 64% | 0.636 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -79.1 | -33.7 | 179.6 | -70.5 | -163.1 | 168.4 | 0 | 0 | 112 | P112 T117 H118 L119 | P112-E115 HydrophobicContact CB-CB 4.35Å; P112-E115 PolarHBondContact O-N 2.85Å; E115-T117 PolarHBondContact O-N 3.37Å; E115-H118 PolarHBondContact O-N 2.88Å; E115-L119 WeakPolarHBondContact O-CG 3.44Å; E115-L119 PolarHBondContact O-N 3.48Å |
| 116 | Y | 46 | Very low | 47.4 | Very low | 93 Ų | 93 | 121 Ų | 121 | 37% | 0.365 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -66.7 | -36.6 | 177.3 | -76.2 | -80.8 | 0 | 0 | 0 | 113 | Y105 P112 H118 L119 L120 | Y105-Y116 HydrophobicContact CD2-CE2 4.49Å; Y105-Y116 HydrophobicContact CE2-CD2 4.4Å; Y105-Y116 AromaticContact CE2-CE2 3.61Å; Y105-Y116 HydrophobicContact CE2-CE2 3.61Å; P112-Y116 HydrophobicContact CG-CE2 4.5Å; P112-Y116 WeakPolarHBondContact O-CD2 3.06Å; P112-Y116 PolarHBondContact O-N 2.87Å; Y116-H118 VanDerWaalsContact C-N 3.34Å; Y116-L119 PolarHBondContact O-N 3.33Å; Y116-L120 WeakPolarHBondContact O-CB 3.36Å; Y116-L120 PolarHBondContact O-N 3.47Å |
| 117 | T | 52.7 | Low | 48.1 | Very low | 72 Ų | 72 | 120.6 Ų | 120.6 | 44% | 0.442 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -65.1 | -39.4 | 176.3 | 44.2 | 0 | 0 | 0 | 0 | 111.8 | F113 Y114 E115 E121 | F113-T117 PolarHBondContact O-OG1 2.96Å; Y114-T117 PolarHBondContact O-OG1 3.42Å; E115-T117 PolarHBondContact O-N 3.37Å; T117-E121 WeakPolarHBondContact O-CB 3.18Å; T117-E121 WeakPolarHBondContact O-CG 3.25Å; T117-E121 PolarHBondContact O-N 3.43Å |
| 118 | H | 52 | Low | 48.6 | Very low | 121 Ų | 121 | 120.5 Ų | 120.5 | 56% | 0.56 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -69.1 | -41.2 | 178 | -77.5 | -58.9 | 0 | 0 | 0 | 112.3 | Y114 E115 Y116 E121 E122 | Y114-H118 PolarHBondContact O-CD2 3.05Å; E115-H118 PolarHBondContact O-N 2.88Å; Y116-H118 VanDerWaalsContact C-N 3.34Å; H118-E121 PolarHBondContact O-N 3.38Å; H118-E122 WeakPolarHBondContact O-CB 3.41Å; H118-E122 PolarHBondContact O-N 3.07Å |
| 119 | L | 51.8 | Low | 48.8 | Very low | 104 Ų | 104 | 117.6 Ų | 117.6 | 55% | 0.545 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -68.8 | -36.1 | 177.4 | -69.4 | 173.5 | 0 | 0 | 0 | 112.6 | E115 Y116 Y123 | E115-L119 WeakPolarHBondContact O-CG 3.44Å; E115-L119 PolarHBondContact O-N 3.48Å; Y116-L119 PolarHBondContact O-N 3.33Å; L119-Y123 VanDerWaalsContact O-CB 3.22Å; L119-Y123 WeakPolarHBondContact O-CB 3.43Å; L119-Y123 PolarHBondContact O-N 3.46Å |
| 120 | L | 52.8 | Low | 48.4 | Very low | 105 Ų | 105 | 113.6 Ų | 113.6 | 55% | 0.55 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -66 | -45 | 172.3 | -100.6 | 144 | 0 | 0 | 0 | 111.3 | Y116 Y123 I124 | Y116-L120 WeakPolarHBondContact O-CB 3.36Å; Y116-L120 PolarHBondContact O-N 3.47Å; L120-Y123 PolarHBondContact O-N 3.43Å; L120-I124 HydrophobicContact CB-CD1 4.49Å; L120-I124 HydrophobicContact CD2-CD1 3.97Å; L120-I124 WeakPolarHBondContact O-CB 3.3Å; L120-I124 VanDerWaalsContact O-CD1 3.31Å; L120-I124 WeakPolarHBondContact O-CD1 3.24Å; L120-I124 WeakPolarHBondContact O-CG1 3.35Å; L120-I124 PolarHBondContact O-N 3.46Å |
| 121 | E | 52.8 | Low | 48.2 | Very low | 112 Ų | 112 | 110.9 Ų | 110.9 | 52% | 0.523 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -61.3 | -44.4 | 175.4 | -79.9 | -175.7 | 175.7 | 0 | 0 | 111.9 | T117 H118 I124 Q125 | T117-E121 WeakPolarHBondContact O-CB 3.18Å; T117-E121 WeakPolarHBondContact O-CG 3.25Å; T117-E121 PolarHBondContact O-N 3.43Å; H118-E121 PolarHBondContact O-N 3.38Å; E121-I124 PolarHBondContact O-N 3.47Å; E121-Q125 WeakPolarHBondContact O-CB 3.36Å; E121-Q125 VanDerWaalsContact O-CG 3.3Å; E121-Q125 WeakPolarHBondContact O-CG 3.42Å; E121-Q125 PolarHBondContact O-N 3.41Å |
| 122 | E | 53.7 | Low | 48 | Very low | 134 Ų | 134 | 114 Ų | 114 | 63% | 0.626 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -63.9 | -43.6 | 176.3 | -112.8 | -168.3 | 168.4 | 0 | 0 | 111.6 | H118 I124 Q125 F126 | H118-E122 WeakPolarHBondContact O-CB 3.41Å; H118-E122 PolarHBondContact O-N 3.07Å; E122-I124 PolarHBondContact O-N 2.76Å; E122-Q125 PolarHBondContact O-N 3.02Å; E122-F126 WeakPolarHBondContact O-CB 3.43Å; E122-F126 PolarHBondContact O-N 3.35Å |
| 123 | Y | 49.5 | Very low | 47.7 | Very low | 119 Ų | 119 | 117.9 Ų | 117.9 | 47% | 0.467 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -65.9 | -39.5 | 178.4 | -174.6 | -102.5 | 0 | 0 | 0 | 112 | L119 L120 F126 K127 | L119-Y123 VanDerWaalsContact O-CB 3.22Å; L119-Y123 WeakPolarHBondContact O-CB 3.43Å; L119-Y123 PolarHBondContact O-N 3.46Å; L120-Y123 PolarHBondContact O-N 3.43Å; Y123-F126 PolarHBondContact O-N 2.95Å; Y123-K127 HydrophobicContact CE1-CD 4.2Å; Y123-K127 HydrophobicContact CE2-CD 3.88Å; Y123-K127 HydrophobicContact CE2-CG 4.39Å; Y123-K127 PolarHBondContact O-N 3.13Å; Y123-K127 WeakPolarHBondContact OH-CE 3.23Å; Y123-K127 PolarHBondContact OH-NZ 2.99Å |
| 124 | I | 52.9 | Low | 47.4 | Very low | 61 Ų | 61 | 115.1 Ų | 115.1 | 31% | 0.313 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -68.1 | -38.4 | 177 | -70.4 | 166.3 | 0 | 0 | 0 | 110.8 | L120 E121 E122 G128 L129 I130 | L120-I124 HydrophobicContact CB-CD1 4.49Å; L120-I124 HydrophobicContact CD2-CD1 3.97Å; L120-I124 WeakPolarHBondContact O-CB 3.3Å; L120-I124 VanDerWaalsContact O-CD1 3.31Å; L120-I124 WeakPolarHBondContact O-CD1 3.24Å; L120-I124 WeakPolarHBondContact O-CG1 3.35Å; L120-I124 PolarHBondContact O-N 3.46Å; E121-I124 PolarHBondContact O-N 3.47Å; E122-I124 PolarHBondContact O-N 2.76Å; I124-G128 PolarHBondContact O-N 2.98Å; I124-L129 PolarHBondContact O-N 3.42Å; I124-L129 VanDerWaalsContact O-N 3.09Å; I124-I130 HydrophobicContact CG2-CD1 3.97Å; I124-I130 HydrophobicContact CG2-CG1 3.41Å; I124-I130 VanDerWaalsContact CG2-CG1 3.41Å |
| 125 | Q | 53 | Low | 47 | Very low | 131 Ų | 131 | 112 Ų | 112 | 61% | 0.612 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -68.6 | -46.3 | 172.2 | -75.5 | -175.1 | 30.3 | 0 | 0 | 111.8 | E121 E122 K127 G128 I130 | E121-Q125 WeakPolarHBondContact O-CB 3.36Å; E121-Q125 VanDerWaalsContact O-CG 3.3Å; E121-Q125 WeakPolarHBondContact O-CG 3.42Å; E121-Q125 PolarHBondContact O-N 3.41Å; E122-Q125 PolarHBondContact O-N 3.02Å; Q125-K127 VanDerWaalsContact C-N 3.35Å; Q125-K127 PolarHBondContact O-N 3.48Å; Q125-G128 PolarHBondContact O-N 3.49Å; Q125-I130 HydrophobicContact CG-CD1 4.04Å |
| 126 | F | 51.2 | Low | 46.8 | Very low | 188 Ų | 188 | 112.8 Ų | 112.8 | 83% | 0.825 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -67.5 | -33.9 | -174 | -164.7 | -92.2 | 0 | 0 | 0 | 112.4 | E122 Y123 G128 | E122-F126 WeakPolarHBondContact O-CB 3.43Å; E122-F126 PolarHBondContact O-N 3.35Å; Y123-F126 PolarHBondContact O-N 2.95Å; F126-G128 VanDerWaalsContact C-N 3.35Å |
| 127 | K | 51.6 | Low | 46.3 | Very low | 132 Ų | 132 | 116.4 Ų | 116.4 | 57% | 0.574 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.8 | 10.2 | 173.1 | -70.9 | -163.1 | 174.8 | -177.7 | 0 | 114.3 | Y123 Q125 L129 | Y123-K127 HydrophobicContact CE1-CD 4.2Å; Y123-K127 HydrophobicContact CE2-CD 3.88Å; Y123-K127 HydrophobicContact CE2-CG 4.39Å; Y123-K127 PolarHBondContact O-N 3.13Å; Y123-K127 WeakPolarHBondContact OH-CE 3.23Å; Y123-K127 PolarHBondContact OH-NZ 2.99Å; Q125-K127 VanDerWaalsContact C-N 3.35Å; Q125-K127 PolarHBondContact O-N 3.48Å; K127-L129 PolarHBondContact O-N 3.01Å |
| 128 | G | 42.5 | Very low | 45.4 | Very low | 58 Ų | 58 | 122.5 Ų | 122.5 | 60% | 0.598 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 60.8 | 28.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | I124 Q125 F126 I130 | I124-G128 PolarHBondContact O-N 2.98Å; Q125-G128 PolarHBondContact O-N 3.49Å; F126-G128 VanDerWaalsContact C-N 3.35Å; G128-I130 VanDerWaalsContact C-N 3.32Å; G128-I130 PolarHBondContact O-N 3.5Å |
| 129 | L | 44.7 | Very low | 44.6 | Very low | 103 Ų | 103 | 122.1 Ų | 122.1 | 54% | 0.539 | 65% | 0.648 | S | S | . | * | trans | -92 | 17.6 | -173.4 | -152.1 | 76.9 | 0 | 0 | 0 | 113.5 | F88 I124 K127 A131 | F88-L129 HydrophobicContact CE1-CD2 4.13Å; F88-L129 HydrophobicContact CZ-CD2 4Å; I124-L129 PolarHBondContact O-N 3.42Å; I124-L129 VanDerWaalsContact O-N 3.09Å; K127-L129 PolarHBondContact O-N 3.01Å; L129-A131 PolarHBondContact O-N 3.02Å | ||
| 130 | I | 41.8 | Very low | 44 | Very low | 112 Ų | 112 | 128.4 Ų | 128.4 | 57% | 0.574 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.1 | 47.4 | 170 | -41 | 177.7 | 0 | 0 | 0 | 110.3 | I124 Q125 G128 | I124-I130 HydrophobicContact CG2-CD1 3.97Å; I124-I130 HydrophobicContact CG2-CG1 3.41Å; I124-I130 VanDerWaalsContact CG2-CG1 3.41Å; Q125-I130 HydrophobicContact CG-CD1 4.04Å; G128-I130 VanDerWaalsContact C-N 3.32Å; G128-I130 PolarHBondContact O-N 3.5Å |
| 131 | A | 40.5 | Very low | 43.6 | Very low | 86 Ų | 86 | 129.6 Ų | 129.6 | 71% | 0.711 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | -6.2 | 164.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L129 | L129-A131 PolarHBondContact O-N 3.02Š|
| 132 | L | 37.6 | Very low | 43.1 | Very low | 152 Ų | 152 | 130.5 Ų | 130.5 | 80% | 0.796 | 70% | 0.698 | S | S | * | * | trans | -145.9 | 66.8 | -170.6 | -99 | 104.7 | 0 | 0 | 0 | 113.8 | ||||
| 133 | V | 39.4 | Very low | 42.5 | Very low | 119 Ų | 119 | 130.3 Ų | 130.3 | 72% | 0.721 | 70% | 0.702 | S | S | * | * | trans | -134.6 | 99.5 | 146.6 | -176.3 | 0 | 0 | 0 | 0 | 107.8 | S135 | V133-S135 PolarHBondContact O-N 3.41Š| ||
| 134 | P | 37.9 | Very low | 42.1 | Very low | 101 Ų | 101 | 130.9 Ų | 130.9 | 66% | 0.656 | 72% | 0.716 | S | S | * | * | trans | -63.1 | 110 | 172.2 | 24.1 | -30 | 0 | 0 | 0 | 108.6 | N136 | P134-N136 PolarHBondContact O-N 2.86Š| ||
| 135 | S | 39.2 | Very low | 41.4 | Very low | 113 Ų | 113 | 135.3 Ų | 135.3 | 79% | 0.79 | 74% | 0.741 | S | S | * | * | trans | -61.9 | 87.3 | 166.5 | -68.7 | 0 | 0 | 0 | 0 | 109 | V133 H137 | V133-S135 PolarHBondContact O-N 3.41Å; S135-H137 PolarHBondContact O-N 2.79Å | ||
| 136 | N | 39.3 | Very low | 40.7 | Very low | 153 Ų | 153 | 135.6 Ų | 135.6 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | trans | -70.7 | 61.5 | 159.2 | -76.7 | -58.5 | 0 | 0 | 0 | 108.9 | P134 | P134-N136 PolarHBondContact O-N 2.86Š| ||
| 137 | H | 34.4 | Very low | 39.9 | Very low | 168 Ų | 168 | 131.9 Ų | 131.9 | 78% | 0.778 | 74% | 0.744 | S | S | * | * | trans | -98.8 | 89.8 | 160.9 | -149.5 | 48.3 | 0 | 0 | 0 | 105.9 | S135 P139 | S135-H137 PolarHBondContact O-N 2.79Å; H137-P139 WeakPolarHBondContact O-CD 3.18Å | ||
| 138 | K | 34.9 | Very low | 39 | Very low | 201 Ų | 201 | 131.8 Ų | 131.8 | 87% | 0.874 | 76% | 0.757 | S | S | * | * | trans | -77.6 | 109.6 | 174.8 | -165.2 | -179.1 | -173.9 | -174.8 | 0 | 106.9 | ||||
| 139 | P | 35.9 | Very low | 38.7 | Very low | 112 Ų | 112 | 138 Ų | 138 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | trans | -96.4 | 103.3 | 174.1 | 29 | -11.8 | 0 | 0 | 0 | 107.9 | H137 | H137-P139 WeakPolarHBondContact O-CD 3.18Š| ||
| 140 | N | 39 | Very low | 38.2 | Very low | 236 Ų | 236 | 141.2 Ų | 141.2 | 100% | 1.262 | 79% | 0.792 | S | S | * | * | trans | -168.3 | 0 | 148.7 | -134.6 | -11.5 | 0 | 0 | 0 | 109.6 |
Retrieved 140 of 140 residues in 47.5 ms
(Link to these results)