| 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 | G | 36 | Very low | 42.4 | Very low | 123 Ų | 123 | 150.4 Ų | 150.4 | 100% | 1.268 | 86% | 0.862 | S | S | * | * | 0 | 151.6 | 0 | 0 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 2 | L | 42.2 | Very low | 42.1 | Very low | 185 Ų | 185 | 147.7 Ų | 147.7 | 97% | 0.969 | 85% | 0.85 | S | S | * | * | trans | 65.3 | 142.1 | -163.8 | -47.8 | 172 | 0 | 0 | 0 | 111.7 | ||||
| 3 | C | 40 | Very low | 42.7 | Very low | 126 Ų | 126 | 146.2 Ų | 146.2 | 85% | 0.851 | 85% | 0.849 | S | S | * | * | cis | -135.8 | 164.9 | 1.4 | -164.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 4 | G | 39.5 | Very low | 42.2 | Very low | 57 Ų | 57 | 141.5 Ų | 141.5 | 59% | 0.588 | 85% | 0.847 | S | S | * | * | trans | -111.1 | -151.9 | 164.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 5 | P | 67.1 | Low | 41.9 | Very low | 121 Ų | 121 | 146.9 Ų | 146.9 | 79% | 0.786 | 85% | 0.847 | S | S | * | * | -127.9 | -141.2 | -58.2 | 38.7 | -24.7 | 0 | 0 | 0 | 110.6 | |||||
| 6 | E | 39.2 | Very low | 42 | Very low | 183 Ų | 183 | 146.8 Ų | 146.8 | 86% | 0.855 | 84% | 0.836 | S | S | * | * | trans | 75.6 | 154.2 | 178.4 | -53.1 | -175.8 | 142.7 | 0 | 0 | 114.7 | ||||
| 7 | E | 40.4 | Very low | 41.5 | Very low | 176 Ų | 176 | 148 Ų | 148 | 82% | 0.822 | 84% | 0.84 | S | S | * | * | cis | -139.3 | 156.9 | 13.9 | -164.7 | -179.8 | -154.1 | 0 | 0 | 111.8 | ||||
| 8 | E | 47.8 | Very low | 41.6 | Very low | 187 Ų | 187 | 145.7 Ų | 145.7 | 87% | 0.874 | 83% | 0.834 | S | S | * | * | trans | -111.7 | 132.3 | 177.9 | 179.4 | -179.6 | -132 | 0 | 0 | 111.1 | ||||
| 9 | R | 42.6 | Very low | 41.6 | Very low | 238 Ų | 238 | 144.9 Ų | 144.9 | 90% | 0.898 | 84% | 0.835 | S | S | * | * | trans | -157.6 | 140.2 | 170.3 | -144.5 | 170.3 | -175.2 | 177.4 | 2.5 | 112.5 | ||||
| 10 | G | 35.6 | Very low | 41.3 | Very low | 64 Ų | 64 | 143.4 Ų | 143.4 | 66% | 0.66 | 83% | 0.833 | S | S | * | * | trans | -133.2 | -161.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 11 | E | 36.3 | Very low | 40.8 | Very low | 194 Ų | 194 | 143.1 Ų | 143.1 | 91% | 0.907 | 83% | 0.829 | S | S | * | * | trans | 67.5 | 154.4 | 176.8 | -42.7 | -166.3 | 124.9 | 0 | 0 | 115.6 | ||||
| 12 | T | 38.7 | Very low | 41.1 | Very low | 118 Ų | 118 | 144.7 Ų | 144.7 | 72% | 0.724 | 81% | 0.807 | S | S | * | * | cis | -133.5 | 156.1 | 4.3 | 50.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 13 | P | 49.3 | Very low | 40.5 | Very low | 129 Ų | 129 | 139.3 Ų | 139.3 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 132 | 163.5 | -12.7 | 29.4 | 0 | 0 | 0 | 112 | ||
| 14 | G | 36.1 | Very low | 40.3 | Very low | 80 Ų | 80 | 143.1 Ų | 143.1 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 145.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 15 | R | 38.2 | Very low | 40 | Very low | 223 Ų | 223 | 144.7 Ų | 144.7 | 84% | 0.842 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -101.6 | 163.3 | -168.2 | -175.7 | 170.7 | 172.2 | -157.5 | -7.8 | 113.8 | ||
| 16 | E | 42.6 | Very low | 38.4 | Very low | 144 Ų | 144 | 147.7 Ų | 147.7 | 67% | 0.673 | 81% | 0.813 | S | S | * | * | trans | -37.2 | 149.2 | 167.5 | -46.9 | 152.5 | 120.7 | 0 | 0 | 115.2 | ||||
| 17 | D | 34.3 | Very low | 38.3 | Very low | 168 Ų | 168 | 146.1 Ų | 146.1 | 90% | 0.898 | 81% | 0.81 | S | S | * | * | trans | -144 | 132.5 | 150.2 | -114.4 | -32.3 | 0 | 0 | 0 | 109.8 | ||||
| 18 | S | 42.4 | Very low | 38.1 | Very low | 106 Ų | 106 | 144.7 Ų | 144.7 | 74% | 0.741 | 81% | 0.807 | S | S | * | * | trans | -129.5 | 138.8 | 175.4 | -68.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 19 | P | 42.1 | Very low | 38 | Very low | 131 Ų | 131 | 141.7 Ų | 141.7 | 85% | 0.851 | 80% | 0.804 | S | S | * | * | trans | -108.7 | 95.3 | 163 | 9.9 | 11.4 | 0 | 0 | 0 | 111.7 | ||||
| 20 | S | 36.3 | Very low | 37.5 | Very low | 114 Ų | 114 | 133.6 Ų | 133.6 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | trans | -43.4 | 153.4 | 130.3 | -65.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 21 | D | 31.3 | Very low | 37.5 | Very low | 138 Ų | 138 | 134.1 Ų | 134.1 | 74% | 0.738 | 80% | 0.8 | S | S | * | * | cis | -169.9 | -165.2 | -1.1 | 171.2 | 32.4 | 0 | 0 | 0 | 105.8 | ||||
| 22 | L | 40.4 | Very low | 37.5 | Very low | 156 Ų | 156 | 131.9 Ų | 131.9 | 82% | 0.817 | 80% | 0.795 | S | S | * | * | trans | 79.8 | 137 | 167.2 | -43.1 | 174.6 | 0 | 0 | 0 | 115.4 | ||||
| 23 | G | 31.4 | Very low | 37.6 | Very low | 72 Ų | 72 | 130.7 Ų | 130.7 | 74% | 0.742 | 79% | 0.791 | S | S | * | * | cis | 141.2 | 71.9 | -3.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | A25 | G23-A25 PolarHBondContact O-N 2.87Š| ||
| 24 | E | 34.5 | Very low | 37.1 | Very low | 206 Ų | 206 | 134.3 Ų | 134.3 | 96% | 0.963 | 79% | 0.794 | S | S | * | * | trans | -87.8 | 105.5 | 173.5 | -70.9 | -162.5 | 145.1 | 0 | 0 | 111.2 | ||||
| 25 | A | 33.9 | Very low | 37.3 | Very low | 90 Ų | 90 | 134.4 Ų | 134.4 | 74% | 0.744 | 79% | 0.787 | S | S | * | * | trans | -143.1 | 71.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | G23 | G23-A25 PolarHBondContact O-N 2.87Š| ||
| 26 | E | 32.5 | Very low | 37.7 | Very low | 184 Ų | 184 | 125.9 Ų | 125.9 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | trans | -123.4 | 114.5 | 156.7 | -73 | -157.1 | 117 | 0 | 0 | 107.9 | ||||
| 27 | L | 37.7 | Very low | 38.1 | Very low | 151 Ų | 151 | 125.2 Ų | 125.2 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | 85.5 | 105.7 | 64.4 | -73.9 | 173.1 | 0 | 0 | 0 | 112.6 | |||||
| 28 | D | 35.9 | Very low | 38.8 | Very low | 145 Ų | 145 | 123.9 Ų | 123.9 | 78% | 0.775 | 76% | 0.762 | S | S | * | * | trans | -49.7 | 124.3 | 168.4 | 175 | 40.1 | 0 | 0 | 0 | 113.2 | G30 | D28-G30 PolarHBondContact O-N 3.27Š| ||
| 29 | P | 45.2 | Very low | 39.2 | Very low | 125 Ų | 125 | 127 Ų | 127 | 81% | 0.812 | 76% | 0.762 | S | S | * | * | trans | -82.7 | 86.7 | 172.1 | 33.4 | -32.4 | 0 | 0 | 0 | 110.8 | ||||
| 30 | G | 33.6 | Very low | 39.8 | Very low | 67 Ų | 67 | 123.4 Ų | 123.4 | 69% | 0.691 | 74% | 0.744 | S | S | * | * | trans | -66.3 | 173.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | D28 | D28-G30 PolarHBondContact O-N 3.27Š| ||
| 31 | G | 34.3 | Very low | 40.8 | Very low | 76 Ų | 76 | 124.6 Ų | 124.6 | 78% | 0.784 | 74% | 0.735 | S | S | * | * | trans | 140.3 | 70.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 32 | D | 36.7 | Very low | 41.9 | Very low | 147 Ų | 147 | 120 Ų | 120 | 79% | 0.786 | 72% | 0.72 | S | S | * | * | 80.8 | 139.3 | 60 | -164 | 19.6 | 0 | 0 | 0 | 114.6 | |||||
| 33 | S | 39.9 | Very low | 42.9 | Very low | 93 Ų | 93 | 119.9 Ų | 119.9 | 65% | 0.65 | 71% | 0.713 | S | S | * | * | trans | 40.4 | 83.9 | 157.1 | -69.8 | 0 | 0 | 0 | 0 | 119.7 | A35 | S33-A35 VanDerWaalsContact C-N 3.31Å; S33-A35 PolarHBondContact O-N 3.46Å | ||
| 34 | K | 39.3 | Very low | 44.4 | Very low | 204 Ų | 204 | 120.9 Ų | 120.9 | 89% | 0.887 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -88.5 | 17 | 166.2 | -135.2 | 179.8 | -171.6 | -178.4 | 0 | 115 | ||
| 35 | A | 41.6 | Very low | 45.7 | Very low | 82 Ų | 82 | 114.4 Ų | 114.4 | 68% | 0.678 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -117.2 | 3.3 | -168.8 | 0 | 0 | 0 | 0 | 0 | 115 | S33 | S33-A35 VanDerWaalsContact C-N 3.31Å; S33-A35 PolarHBondContact O-N 3.46Å |
| 36 | G | 45.4 | Very low | 47.3 | Very low | 44 Ų | 44 | 114.3 Ų | 114.3 | 45% | 0.454 | 66% | 0.663 | S | S | . | * | S | Bend | trans | -83.2 | -45.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | D38 K39 A40 | G36-D38 PolarHBondContact O-N 3.44Å; G36-K39 PolarHBondContact O-N 3.49Å; G36-A40 PolarHBondContact O-N 3.44Å |
| 37 | D | 50.4 | Low | 49.1 | Very low | 130 Ų | 130 | 110.9 Ų | 110.9 | 70% | 0.695 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -63.7 | -47.1 | -162.2 | -62.2 | -31.7 | 0 | 0 | 0 | 113.5 | K39 A40 F41 | D37-K39 PolarHBondContact O-N 2.68Å; D37-K39 VanDerWaalsContact O-N 3.08Å; D37-A40 WeakPolarHBondContact O-CB 3.42Å; D37-A40 PolarHBondContact O-N 3.36Å; D37-F41 WeakPolarHBondContact O-CB 3.49Å; D37-F41 PolarHBondContact O-N 3.31Å |
| 38 | D | 50.7 | Low | 50.5 | Low | 140 Ų | 140 | 106.3 Ų | 106.3 | 75% | 0.749 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -53.9 | -35.6 | 179.6 | -68.4 | -27.4 | 0 | 0 | 0 | 112.5 | G36 G42 | G36-D38 PolarHBondContact O-N 3.44Å; D38-G42 PolarHBondContact O-N 2.91Å |
| 39 | K | 50.8 | Low | 52 | Low | 172 Ų | 172 | 104.9 Ų | 104.9 | 75% | 0.748 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -84.7 | -20.6 | -176.9 | -150.5 | 170.4 | -170.2 | 172.7 | 0 | 113 | G36 D37 | G36-K39 PolarHBondContact O-N 3.49Å; D37-K39 PolarHBondContact O-N 2.68Å; D37-K39 VanDerWaalsContact O-N 3.08Å |
| 40 | A | 54.6 | Low | 53 | Low | 56 Ų | 56 | 105.1 Ų | 105.1 | 46% | 0.463 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -77.6 | -48.2 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | G36 D37 G42 K43 E44 | G36-A40 PolarHBondContact O-N 3.44Å; D37-A40 WeakPolarHBondContact O-CB 3.42Å; D37-A40 PolarHBondContact O-N 3.36Å; A40-G42 VanDerWaalsContact C-N 3.32Å; A40-G42 PolarHBondContact O-N 2.89Å; A40-K43 WeakPolarHBondContact O-CB 3.14Å; A40-K43 PolarHBondContact O-N 3.18Å; A40-E44 PolarHBondContact O-N 3.29Å |
| 41 | F | 56.1 | Low | 54.5 | Low | 138 Ų | 138 | 104.6 Ų | 104.6 | 61% | 0.605 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -56.8 | -44.3 | 178.9 | -145.6 | -89.1 | 0 | 0 | 0 | 111.6 | D37 K43 E44 V45 | D37-F41 WeakPolarHBondContact O-CB 3.49Å; D37-F41 PolarHBondContact O-N 3.31Å; F41-K43 VanDerWaalsContact C-N 3.27Å; F41-K43 PolarHBondContact O-N 3.39Å; F41-E44 PolarHBondContact O-N 2.98Å; F41-V45 HydrophobicContact CD1-CG2 4.17Å; F41-V45 HydrophobicContact CE1-CG2 4.39Å; F41-V45 WeakPolarHBondContact O-CG2 3.2Å; F41-V45 PolarHBondContact O-N 3.42Å |
| 42 | G | 54.8 | Low | 55.9 | Low | 42 Ų | 42 | 102 Ų | 102 | 43% | 0.433 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -60.5 | -29.4 | 175 | 0 | 0 | 0 | 0 | 0 | 114.7 | D38 A40 V46 | D38-G42 PolarHBondContact O-N 2.91Å; A40-G42 VanDerWaalsContact C-N 3.32Å; A40-G42 PolarHBondContact O-N 2.89Å; G42-V46 WeakPolarHBondContact O-CG2 3.47Å |
| 43 | K | 62 | Low | 57.4 | Low | 154 Ų | 154 | 100.4 Ų | 100.4 | 67% | 0.67 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -79 | -40.2 | 173.9 | -76.7 | -176 | 174.3 | -176.9 | 0 | 112.4 | A40 F41 V45 V46 L47 | A40-K43 WeakPolarHBondContact O-CB 3.14Å; A40-K43 PolarHBondContact O-N 3.18Å; F41-K43 VanDerWaalsContact C-N 3.27Å; F41-K43 PolarHBondContact O-N 3.39Å; K43-V45 VanDerWaalsContact C-N 3.31Å; K43-V45 PolarHBondContact O-N 3.46Å; K43-V46 PolarHBondContact O-N 2.94Å; K43-L47 PolarHBondContact O-N 3.26Å |
| 44 | E | 62.6 | Low | 58.4 | Low | 93 Ų | 93 | 100.6 Ų | 100.6 | 44% | 0.435 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -59.2 | -42.4 | 173.9 | -82.9 | -146.7 | 95.3 | 0 | 0 | 111.9 | A40 F41 V46 L47 L48 K68 | A40-E44 PolarHBondContact O-N 3.29Å; F41-E44 PolarHBondContact O-N 2.98Å; E44-V46 VanDerWaalsContact C-N 3.31Å; E44-V46 PolarHBondContact O-N 3.34Å; E44-L47 PolarHBondContact O-N 2.85Å; E44-L48 VanDerWaalsContact O-CB 3.3Å; E44-L48 WeakPolarHBondContact O-CB 3.45Å; E44-L48 PolarHBondContact O-N 3.08Å; E44-K68 IonicContact OE1-NZ 2.68Å; E44-K68 PolarHBondContact OE1-NZ 3.4Å; E44-K68 IonicContact OE2-NZ 3.69Å |
| 45 | V | 61.6 | Low | 59.7 | Low | 69 Ų | 69 | 93.3 Ų | 93.3 | 42% | 0.418 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.7 | -39.3 | 177.8 | 170.8 | 0 | 0 | 0 | 0 | 111.8 | F41 K43 M49 | F41-V45 HydrophobicContact CD1-CG2 4.17Å; F41-V45 HydrophobicContact CE1-CG2 4.39Å; F41-V45 WeakPolarHBondContact O-CG2 3.2Å; F41-V45 PolarHBondContact O-N 3.42Å; K43-V45 VanDerWaalsContact C-N 3.31Å; K43-V45 PolarHBondContact O-N 3.46Å; V45-M49 WeakPolarHBondContact O-CB 3.48Å; V45-M49 PolarHBondContact O-N 3.27Å |
| 46 | V | 67.9 | Low | 60.4 | Low | 89 Ų | 89 | 94.1 Ų | 94.1 | 54% | 0.539 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -68.8 | -43.2 | 176.6 | 173.3 | 0 | 0 | 0 | 0 | 111.8 | G42 K43 E44 M49 Q50 | G42-V46 WeakPolarHBondContact O-CG2 3.47Å; K43-V46 PolarHBondContact O-N 2.94Å; E44-V46 VanDerWaalsContact C-N 3.31Å; E44-V46 PolarHBondContact O-N 3.34Å; V46-M49 PolarHBondContact O-N 3.49Å; V46-Q50 PolarHBondContact O-N 3.36Å |
| 47 | L | 69.2 | Low | 61.2 | Low | 111 Ų | 111 | 94.7 Ų | 94.7 | 58% | 0.581 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64 | -40.5 | 176.2 | -75.1 | 168.8 | 0 | 0 | 0 | 111.8 | K43 E44 Q50 A51 | K43-L47 PolarHBondContact O-N 3.26Å; E44-L47 PolarHBondContact O-N 2.85Å; L47-Q50 PolarHBondContact O-N 2.98Å; L47-A51 WeakPolarHBondContact O-CB 3.48Å; L47-A51 PolarHBondContact O-N 2.84Å |
| 48 | L | 68.8 | Low | 62.2 | Low | 55 Ų | 55 | 93 Ų | 93 | 29% | 0.288 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62 | -44.6 | 173.9 | -174.9 | 62.4 | 0 | 0 | 0 | 111 | E44 Q50 A51 L52 L65 K68 | E44-L48 VanDerWaalsContact O-CB 3.3Å; E44-L48 WeakPolarHBondContact O-CB 3.45Å; E44-L48 PolarHBondContact O-N 3.08Å; L48-Q50 VanDerWaalsContact C-N 3.31Å; L48-Q50 PolarHBondContact O-N 3.33Å; L48-A51 PolarHBondContact O-N 3.2Å; L48-L52 HydrophobicContact CD1-CD1 4.37Å; L48-L52 HydrophobicContact CD1-CG 4.44Å; L48-L52 HydrophobicContact CG-CD1 4.02Å; L48-L52 WeakPolarHBondContact O-CB 2.92Å; L48-L52 WeakPolarHBondContact O-CG 2.96Å; L48-L52 PolarHBondContact O-N 3.14Å; L48-L65 HydrophobicContact CD2-CD2 4.24Å; L48-K68 HydrophobicContact CD1-CB 4.48Å; L48-K68 HydrophobicContact CD1-CG 4.17Å |
| 49 | M | 65.9 | Low | 63.2 | Low | 115 Ų | 115 | 92.9 Ų | 92.9 | 57% | 0.567 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.6 | -37.2 | 177 | -158.1 | 91.5 | 76.9 | 0 | 0 | 112.4 | V45 V46 N53 | V45-M49 WeakPolarHBondContact O-CB 3.48Å; V45-M49 PolarHBondContact O-N 3.27Å; V46-M49 PolarHBondContact O-N 3.49Å; M49-N53 WeakPolarHBondContact O-CB 3.27Å; M49-N53 PolarHBondContact O-N 2.86Å; M49-N53 VanDerWaalsContact O-N 3.14Å |
| 50 | Q | 67.1 | Low | 64.2 | Low | 130 Ų | 130 | 88.8 Ų | 88.8 | 61% | 0.607 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -68.9 | -48 | 173.8 | -77.9 | -173 | -39.1 | 0 | 0 | 112.2 | V46 L47 L48 L52 N53 S54 | V46-Q50 PolarHBondContact O-N 3.36Å; L47-Q50 PolarHBondContact O-N 2.98Å; L48-Q50 VanDerWaalsContact C-N 3.31Å; L48-Q50 PolarHBondContact O-N 3.33Å; Q50-L52 VanDerWaalsContact C-N 3.27Å; Q50-L52 PolarHBondContact O-N 3.1Å; Q50-N53 PolarHBondContact O-N 3.17Å; Q50-S54 PolarHBondContact O-N 2.88Å |
| 51 | A | 64.5 | Low | 65.1 | Low | 56 Ų | 56 | 89 Ų | 89 | 46% | 0.463 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.5 | -35 | 179 | 0 | 0 | 0 | 0 | 0 | 112.6 | L47 L48 S54 | L47-A51 WeakPolarHBondContact O-CB 3.48Å; L47-A51 PolarHBondContact O-N 2.84Å; L48-A51 PolarHBondContact O-N 3.2Å; A51-S54 PolarHBondContact O-OG 2.96Å |
| 52 | L | 63.8 | Low | 66.1 | Low | 21 Ų | 21 | 87.9 Ų | 87.9 | 11% | 0.11 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -68.6 | -34.7 | 171.2 | -68.4 | 169 | 0 | 0 | 0 | 112 | L48 Q50 S54 L55 K61 A64 L65 | L48-L52 HydrophobicContact CD1-CD1 4.37Å; L48-L52 HydrophobicContact CD1-CG 4.44Å; L48-L52 HydrophobicContact CG-CD1 4.02Å; L48-L52 WeakPolarHBondContact O-CB 2.92Å; L48-L52 WeakPolarHBondContact O-CG 2.96Å; L48-L52 PolarHBondContact O-N 3.14Å; Q50-L52 VanDerWaalsContact C-N 3.27Å; Q50-L52 PolarHBondContact O-N 3.1Å; L52-S54 PolarHBondContact O-N 3.34Å; L52-L55 PolarHBondContact O-N 3.13Å; L52-K61 HydrophobicContact CB-CG 4.49Å; L52-K61 HydrophobicContact CD2-CB 4.03Å; L52-K61 WeakPolarHBondContact CD2-O 3.46Å; L52-K61 VanDerWaalsContact O-CD 3.27Å; L52-K61 WeakPolarHBondContact O-CD 3.47Å; L52-K61 WeakPolarHBondContact O-CE 3.48Å; L52-K61 VanDerWaalsContact O-CG 3.3Å; L52-K61 WeakPolarHBondContact O-CG 3.4Å; L52-K61 PolarHBondContact O-NZ 2.67Å; L52-A64 HydrophobicContact CD2-CB 3.85Å; L52-L65 HydrophobicContact CD1-CD1 3.94Å; L52-L65 HydrophobicContact CD1-CD2 4.49Å; L52-L65 HydrophobicContact CD1-CG 3.96Å; L52-L65 HydrophobicContact CD2-CD1 4.39Å; L52-L65 HydrophobicContact CD2-CG 4.14Å |
| 53 | N | 68.3 | Low | 67.1 | Low | 114 Ų | 114 | 88.9 Ų | 88.9 | 61% | 0.61 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -77.6 | -15.3 | -178.8 | -84.8 | -22.9 | 0 | 0 | 0 | 115.4 | M49 Q50 L55 K61 | M49-N53 WeakPolarHBondContact O-CB 3.27Å; M49-N53 PolarHBondContact O-N 2.86Å; M49-N53 VanDerWaalsContact O-N 3.14Å; Q50-N53 PolarHBondContact O-N 3.17Å; N53-L55 VanDerWaalsContact C-N 3.27Å; N53-K61 PolarHBondContact OD1-NZ 3.31Å; N53-K61 VanDerWaalsContact OD1-NZ 3.1Å |
| 54 | S | 62.1 | Low | 67.8 | Low | 97 Ų | 97 | 83.2 Ų | 83.2 | 68% | 0.678 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -9.1 | 167.2 | 39.2 | 0 | 0 | 0 | 0 | 114.8 | Q50 A51 L52 | Q50-S54 PolarHBondContact O-N 2.88Å; A51-S54 PolarHBondContact O-OG 2.96Å; L52-S54 PolarHBondContact O-N 3.34Å |
| 55 | L | 66.3 | Low | 68.6 | Low | 51 Ų | 51 | 81.6 Ų | 81.6 | 27% | 0.267 | 47% | 0.473 | S | S | . | . | trans | -91.9 | 134.7 | 178.7 | -58.5 | 171 | 0 | 0 | 0 | 110.1 | L52 N53 E60 K61 A64 | L52-L55 PolarHBondContact O-N 3.13Å; N53-L55 VanDerWaalsContact C-N 3.27Å; L55-E60 HydrophobicContact CB-CB 3.85Å; L55-E60 HydrophobicContact CD1-CB 4.15Å; L55-E60 HydrophobicContact CD2-CB 4.32Å; L55-E60 HydrophobicContact CG-CB 4.32Å; L55-K61 HydrophobicContact CB-CG 3.92Å; L55-K61 HydrophobicContact CD1-CG 4.44Å; L55-K61 WeakPolarHBondContact O-CE 3.41Å; L55-A64 HydrophobicContact CD1-CB 3.82Å | ||
| 56 | A | 56.5 | Low | 69.5 | Low | 99 Ų | 99 | 82 Ų | 82 | 82% | 0.818 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -85.2 | -29.9 | -166.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | E60 | A56-E60 PolarHBondContact N-OE2 3.22Š|
| 57 | T | 61.6 | Low | 70.2 | Confident | 57 Ų | 57 | 84.3 Ų | 84.3 | 35% | 0.35 | 48% | 0.481 | S | S | . | . | S | Bend | trans | -108 | 152.8 | -177.9 | 64 | 0 | 0 | 0 | 0 | 112.3 | E59 E60 K61 | T57-E59 VanDerWaalsContact C-N 3.31Å; T57-E59 PolarHBondContact O-N 3.07Å; T57-E60 WeakPolarHBondContact CB-OE2 3.3Å; T57-E60 PolarHBondContact N-OE2 2.94Å; T57-E60 PolarHBondContact O-N 2.96Å; T57-E60 WeakPolarHBondContact OG1-CG 3.48Å; T57-E60 PolarHBondContact OG1-N 3Å; T57-E60 PolarHBondContact OG1-OE2 3.36Å; T57-K61 PolarHBondContact O-N 2.85Å |
| 58 | P | 71.7 | Confident | 70.8 | Confident | 95 Ų | 95 | 82 Ų | 82 | 62% | 0.617 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -66.6 | -31.9 | 176.1 | 25.3 | -29.9 | 0 | 0 | 0 | 112.4 | K61 L62 | P58-K61 PolarHBondContact O-N 3.21Å; P58-L62 PolarHBondContact O-N 2.93Å |
| 59 | E | 70.9 | Confident | 71.4 | Confident | 136 Ų | 136 | 87 Ų | 87 | 64% | 0.636 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -59.1 | -45.1 | 174 | -75.3 | 72.4 | -164.2 | 0 | 0 | 112.5 | T57 K61 L62 A63 | T57-E59 VanDerWaalsContact C-N 3.31Å; T57-E59 PolarHBondContact O-N 3.07Å; E59-K61 VanDerWaalsContact C-N 3.34Å; E59-K61 PolarHBondContact O-N 2.82Å; E59-L62 PolarHBondContact O-N 3.14Å; E59-A63 WeakPolarHBondContact O-CB 3.3Å; E59-A63 PolarHBondContact O-N 2.96Å |
| 60 | E | 72 | Confident | 72.2 | Confident | 86 Ų | 86 | 84.1 Ų | 84.1 | 40% | 0.402 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.4 | -41.5 | 177.8 | -73.1 | 164.5 | 133.8 | 0 | 0 | 111.7 | L55 A56 T57 L62 A63 A64 | L55-E60 HydrophobicContact CB-CB 3.85Å; L55-E60 HydrophobicContact CD1-CB 4.15Å; L55-E60 HydrophobicContact CD2-CB 4.32Å; L55-E60 HydrophobicContact CG-CB 4.32Å; A56-E60 PolarHBondContact N-OE2 3.22Å; T57-E60 WeakPolarHBondContact CB-OE2 3.3Å; T57-E60 PolarHBondContact N-OE2 2.94Å; T57-E60 PolarHBondContact O-N 2.96Å; T57-E60 WeakPolarHBondContact OG1-CG 3.48Å; T57-E60 PolarHBondContact OG1-N 3Å; T57-E60 PolarHBondContact OG1-OE2 3.36Å; E60-L62 VanDerWaalsContact C-N 3.34Å; E60-A63 PolarHBondContact O-N 3.39Å; E60-A64 WeakPolarHBondContact O-CB 3.5Å; E60-A64 PolarHBondContact O-N 3.01Å |
| 61 | K | 73.2 | Confident | 72.9 | Confident | 62 Ų | 62 | 81.4 Ų | 81.4 | 27% | 0.27 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.9 | -42.2 | 176.2 | -63.1 | -171.9 | -168.4 | -158 | 0 | 111.3 | L52 N53 L55 T57 P58 E59 L65 | L52-K61 HydrophobicContact CB-CG 4.49Å; L52-K61 HydrophobicContact CD2-CB 4.03Å; L52-K61 WeakPolarHBondContact CD2-O 3.46Å; L52-K61 VanDerWaalsContact O-CD 3.27Å; L52-K61 WeakPolarHBondContact O-CD 3.47Å; L52-K61 WeakPolarHBondContact O-CE 3.48Å; L52-K61 VanDerWaalsContact O-CG 3.3Å; L52-K61 WeakPolarHBondContact O-CG 3.4Å; L52-K61 PolarHBondContact O-NZ 2.67Å; N53-K61 PolarHBondContact OD1-NZ 3.31Å; N53-K61 VanDerWaalsContact OD1-NZ 3.1Å; L55-K61 HydrophobicContact CB-CG 3.92Å; L55-K61 HydrophobicContact CD1-CG 4.44Å; L55-K61 WeakPolarHBondContact O-CE 3.41Å; T57-K61 PolarHBondContact O-N 2.85Å; P58-K61 PolarHBondContact O-N 3.21Å; E59-K61 VanDerWaalsContact C-N 3.34Å; E59-K61 PolarHBondContact O-N 2.82Å; K61-L65 PolarHBondContact O-N 2.91Å; K61-L65 VanDerWaalsContact O-N 3.08Å |
| 62 | L | 76.5 | Confident | 73.9 | Confident | 114 Ų | 114 | 82.3 Ų | 82.3 | 60% | 0.597 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -64 | -45.5 | 176 | -167.8 | 70.6 | 0 | 0 | 0 | 111.1 | P58 E59 E60 A64 L65 C66 | P58-L62 PolarHBondContact O-N 2.93Å; E59-L62 PolarHBondContact O-N 3.14Å; E60-L62 VanDerWaalsContact C-N 3.34Å; L62-A64 PolarHBondContact O-N 3.38Å; L62-L65 PolarHBondContact O-N 3.29Å; L62-C66 WeakPolarHBondContact O-CB 3.2Å; L62-C66 PolarHBondContact O-N 2.97Å; L62-C66 PolarHBondContact O-SG 3.18Å |
| 63 | A | 75.8 | Confident | 74.8 | Confident | 62 Ų | 62 | 87.3 Ų | 87.3 | 51% | 0.512 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.9 | -41.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | E59 E60 C66 K67 | E59-A63 WeakPolarHBondContact O-CB 3.3Å; E59-A63 PolarHBondContact O-N 2.96Å; E60-A63 PolarHBondContact O-N 3.39Å; A63-C66 PolarHBondContact O-N 3.32Å; A63-K67 WeakPolarHBondContact O-CB 3.41Å; A63-K67 PolarHBondContact O-N 2.81Å |
| 64 | A | 77.2 | Confident | 75.6 | Confident | 36 Ų | 36 | 86.4 Ų | 86.4 | 30% | 0.298 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.5 | -40.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L52 L55 E60 L62 K67 K68 | L52-A64 HydrophobicContact CD2-CB 3.85Å; L55-A64 HydrophobicContact CD1-CB 3.82Å; E60-A64 WeakPolarHBondContact O-CB 3.5Å; E60-A64 PolarHBondContact O-N 3.01Å; L62-A64 PolarHBondContact O-N 3.38Å; A64-K67 PolarHBondContact O-N 3.32Å; A64-K68 PolarHBondContact O-N 3.01Å |
| 65 | L | 80.6 | Confident | 76.7 | Confident | 59 Ų | 59 | 87 Ų | 87 | 31% | 0.309 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.2 | -49.1 | 172.4 | -95.3 | 162.5 | 0 | 0 | 0 | 112 | L48 L52 K61 L62 K67 K68 Y69 | L48-L65 HydrophobicContact CD2-CD2 4.24Å; L52-L65 HydrophobicContact CD1-CD1 3.94Å; L52-L65 HydrophobicContact CD1-CD2 4.49Å; L52-L65 HydrophobicContact CD1-CG 3.96Å; L52-L65 HydrophobicContact CD2-CD1 4.39Å; L52-L65 HydrophobicContact CD2-CG 4.14Å; K61-L65 PolarHBondContact O-N 2.91Å; K61-L65 VanDerWaalsContact O-N 3.08Å; L62-L65 PolarHBondContact O-N 3.29Å; L65-K67 PolarHBondContact O-N 2.89Å; L65-K68 PolarHBondContact O-N 2.77Å; L65-Y69 HydrophobicContact CD2-CD2 4.37Å; L65-Y69 HydrophobicContact CD2-CE2 4.17Å; L65-Y69 WeakPolarHBondContact O-CD2 3.43Å; L65-Y69 PolarHBondContact O-N 3.41Å |
| 66 | C | 78.9 | Confident | 77.5 | Confident | 78 Ų | 78 | 87.9 Ų | 87.9 | 53% | 0.527 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -56.7 | -38.4 | 175.9 | -71.4 | 0 | 0 | 0 | 0 | 111.8 | L62 A63 A70 | L62-C66 WeakPolarHBondContact O-CB 3.2Å; L62-C66 PolarHBondContact O-N 2.97Å; L62-C66 PolarHBondContact O-SG 3.18Å; A63-C66 PolarHBondContact O-N 3.32Å; C66-A70 WeakPolarHBondContact O-CB 3.45Å; C66-A70 PolarHBondContact O-N 2.89Å |
| 67 | K | 82.9 | Confident | 79 | Confident | 137 Ų | 137 | 89.6 Ų | 89.6 | 60% | 0.596 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -65.7 | -52.4 | 174 | -170.4 | -175.4 | 172 | -174.8 | 0 | 112.1 | A63 A64 L65 Y69 A70 D71 | A63-K67 WeakPolarHBondContact O-CB 3.41Å; A63-K67 PolarHBondContact O-N 2.81Å; A64-K67 PolarHBondContact O-N 3.32Å; L65-K67 PolarHBondContact O-N 2.89Å; K67-Y69 PolarHBondContact O-N 3.03Å; K67-A70 CarbonylContact O-C 3.6Å; K67-A70 WeakPolarHBondContact O-CA 3.45Å; K67-A70 WeakPolarHBondContact O-CB 3.25Å; K67-A70 PolarHBondContact O-N 2.9Å; K67-D71 WeakPolarHBondContact CE-OD2 3.45Å; K67-D71 VanDerWaalsContact O-CG 3.27Å; K67-D71 PolarHBondContact O-N 2.84Å |
| 68 | K | 83.4 | Confident | 80.2 | Confident | 61 Ų | 61 | 90.1 Ų | 90.1 | 27% | 0.265 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59.9 | -33.3 | 179.8 | -131.1 | -71.9 | -170 | -179.9 | 0 | 111.9 | E44 L48 A64 L65 L72 | E44-K68 IonicContact OE1-NZ 2.68Å; E44-K68 PolarHBondContact OE1-NZ 3.4Å; E44-K68 IonicContact OE2-NZ 3.69Å; L48-K68 HydrophobicContact CD1-CB 4.48Å; L48-K68 HydrophobicContact CD1-CG 4.17Å; A64-K68 PolarHBondContact O-N 3.01Å; L65-K68 PolarHBondContact O-N 2.77Å; K68-L72 HydrophobicContact CD-CD1 4.18Å; K68-L72 HydrophobicContact CD-CG 4.37Å; K68-L72 WeakPolarHBondContact O-CB 3.46Å; K68-L72 WeakPolarHBondContact O-CD1 3.43Å; K68-L72 VanDerWaalsContact O-CG 3.3Å; K68-L72 WeakPolarHBondContact O-CG 3.17Å; K68-L72 PolarHBondContact O-N 3.38Å |
| 69 | Y | 80.7 | Confident | 80.9 | Confident | 162 Ų | 162 | 91.2 Ų | 91.2 | 64% | 0.635 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -68.8 | -39.9 | 170.9 | -92.8 | -76 | 0 | 0 | 0 | 113.4 | L65 K67 L73 | L65-Y69 HydrophobicContact CD2-CD2 4.37Å; L65-Y69 HydrophobicContact CD2-CE2 4.17Å; L65-Y69 WeakPolarHBondContact O-CD2 3.43Å; L65-Y69 PolarHBondContact O-N 3.41Å; K67-Y69 PolarHBondContact O-N 3.03Å; Y69-L73 WeakPolarHBondContact O-CB 3.48Å; Y69-L73 PolarHBondContact O-N 3.29Å |
| 70 | A | 81.6 | Confident | 81.6 | Confident | 54 Ų | 54 | 89.6 Ų | 89.6 | 45% | 0.446 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -67 | -42.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | C66 K67 L73 E74 | C66-A70 WeakPolarHBondContact O-CB 3.45Å; C66-A70 PolarHBondContact O-N 2.89Å; K67-A70 CarbonylContact O-C 3.6Å; K67-A70 WeakPolarHBondContact O-CA 3.45Å; K67-A70 WeakPolarHBondContact O-CB 3.25Å; K67-A70 PolarHBondContact O-N 2.9Å; A70-L73 WeakPolarHBondContact O-CB 3.34Å; A70-L73 PolarHBondContact O-N 2.68Å; A70-L73 VanDerWaalsContact O-N 3.14Å; A70-E74 PolarHBondContact O-N 3.27Å |
| 71 | D | 83.5 | Confident | 82.5 | Confident | 73 Ų | 73 | 91.3 Ų | 91.3 | 39% | 0.39 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60.1 | -47.4 | 175.5 | -63.9 | -24.7 | 0 | 0 | 0 | 110.2 | K67 L73 E74 E75 | K67-D71 WeakPolarHBondContact CE-OD2 3.45Å; K67-D71 VanDerWaalsContact O-CG 3.27Å; K67-D71 PolarHBondContact O-N 2.84Å; D71-L73 VanDerWaalsContact C-N 3.3Å; D71-L73 PolarHBondContact O-N 3.28Å; D71-E74 WeakPolarHBondContact O-CB 3.32Å; D71-E74 PolarHBondContact O-N 3.46Å; D71-E74 VanDerWaalsContact O-N 3.17Å; D71-E75 WeakPolarHBondContact O-CG 3.38Å; D71-E75 PolarHBondContact O-N 3.06Å |
| 72 | L | 84.3 | Confident | 83.2 | Confident | 74 Ų | 74 | 94 Ų | 94 | 39% | 0.387 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.4 | -33.6 | 173.2 | -78.7 | 167.2 | 0 | 0 | 0 | 113.4 | K68 S76 | K68-L72 HydrophobicContact CD-CD1 4.18Å; K68-L72 HydrophobicContact CD-CG 4.37Å; K68-L72 WeakPolarHBondContact O-CB 3.46Å; K68-L72 WeakPolarHBondContact O-CD1 3.43Å; K68-L72 VanDerWaalsContact O-CG 3.3Å; K68-L72 WeakPolarHBondContact O-CG 3.17Å; K68-L72 PolarHBondContact O-N 3.38Å; L72-S76 WeakPolarHBondContact O-CB 3.45Å; L72-S76 PolarHBondContact O-N 3.3Å |
| 73 | L | 84 | Confident | 83.7 | Confident | 126 Ų | 126 | 93.2 Ų | 93.2 | 66% | 0.66 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -71 | -37 | 175.1 | -120.2 | 166.7 | 0 | 0 | 0 | 111.7 | Y69 A70 D71 R77 | Y69-L73 WeakPolarHBondContact O-CB 3.48Å; Y69-L73 PolarHBondContact O-N 3.29Å; A70-L73 WeakPolarHBondContact O-CB 3.34Å; A70-L73 PolarHBondContact O-N 2.68Å; A70-L73 VanDerWaalsContact O-N 3.14Å; D71-L73 VanDerWaalsContact C-N 3.3Å; D71-L73 PolarHBondContact O-N 3.28Å; L73-R77 WeakPolarHBondContact O-CB 3.2Å; L73-R77 PolarHBondContact O-N 2.83Å |
| 74 | E | 84.8 | Confident | 84.4 | Confident | 95 Ų | 95 | 96.5 Ų | 96.5 | 44% | 0.444 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -68.5 | -42.9 | 173.7 | -171.2 | 73.4 | -88.2 | 0 | 0 | 111.1 | A70 D71 R77 C78 | A70-E74 PolarHBondContact O-N 3.27Å; D71-E74 WeakPolarHBondContact O-CB 3.32Å; D71-E74 PolarHBondContact O-N 3.46Å; D71-E74 VanDerWaalsContact O-N 3.17Å; E74-R77 VanDerWaalsContact CD-NH2 3.31Å; E74-R77 CarbonylContact O-C 3.58Å; E74-R77 PolarHBondContact O-N 2.99Å; E74-R77 IonicContact OE1-CZ 3.16Å; E74-R77 IonicContact OE1-NE 2.86Å; E74-R77 PolarHBondContact OE1-NE 3.38Å; E74-R77 IonicContact OE1-NH2 2.67Å; E74-R77 PolarHBondContact OE1-NH2 2.96Å; E74-R77 IonicContact OE2-NH2 3.13Å; E74-R77 PolarHBondContact OE2-NH2 3.4Å; E74-R77 VanDerWaalsContact OE2-NH2 3.13Å; E74-C78 VanDerWaalsContact O-CB 3.32Å; E74-C78 WeakPolarHBondContact O-CB 3.39Å; E74-C78 PolarHBondContact O-N 3.15Å |
| 75 | E | 83.9 | Confident | 85.1 | Confident | 110 Ų | 110 | 97.4 Ų | 97.4 | 51% | 0.514 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.9 | -47.7 | 173.2 | -75.3 | -177.7 | 161.2 | 0 | 0 | 111.8 | D71 R77 C78 M79 | D71-E75 WeakPolarHBondContact O-CG 3.38Å; D71-E75 PolarHBondContact O-N 3.06Å; E75-R77 VanDerWaalsContact C-N 3.31Å; E75-R77 PolarHBondContact O-N 3.36Å; E75-C78 CarbonylContact O-C 3.58Å; E75-C78 WeakPolarHBondContact O-CA 3.3Å; E75-C78 WeakPolarHBondContact O-CB 3.47Å; E75-C78 PolarHBondContact O-N 2.92Å; E75-M79 PolarHBondContact O-N 3.16Å |
| 76 | S | 83.7 | Confident | 85.5 | Confident | 69 Ų | 69 | 99.5 Ų | 99.5 | 48% | 0.483 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.4 | -43.2 | 173.4 | -179.6 | 0 | 0 | 0 | 0 | 111.5 | L72 C78 Q80 | L72-S76 WeakPolarHBondContact O-CB 3.45Å; L72-S76 PolarHBondContact O-N 3.3Å; S76-C78 VanDerWaalsContact C-N 3.29Å; S76-C78 PolarHBondContact O-N 2.97Å; S76-Q80 WeakPolarHBondContact O-CB 3.49Å; S76-Q80 PolarHBondContact O-N 2.87Å |
| 77 | R | 87.7 | Confident | 86 | Confident | 136 Ų | 136 | 101.2 Ų | 101.2 | 51% | 0.513 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.5 | -30.3 | 173.9 | -170.6 | 174 | 78.3 | 153.7 | -3.3 | 112.6 | L73 E74 E75 K81 | L73-R77 WeakPolarHBondContact O-CB 3.2Å; L73-R77 PolarHBondContact O-N 2.83Å; E74-R77 VanDerWaalsContact CD-NH2 3.31Å; E74-R77 CarbonylContact O-C 3.58Å; E74-R77 PolarHBondContact O-N 2.99Å; E74-R77 IonicContact OE1-CZ 3.16Å; E74-R77 IonicContact OE1-NE 2.86Å; E74-R77 PolarHBondContact OE1-NE 3.38Å; E74-R77 IonicContact OE1-NH2 2.67Å; E74-R77 PolarHBondContact OE1-NH2 2.96Å; E74-R77 IonicContact OE2-NH2 3.13Å; E74-R77 PolarHBondContact OE2-NH2 3.4Å; E74-R77 VanDerWaalsContact OE2-NH2 3.13Å; E75-R77 VanDerWaalsContact C-N 3.31Å; E75-R77 PolarHBondContact O-N 3.36Å; R77-K81 WeakPolarHBondContact O-CD 3.49Å; R77-K81 VanDerWaalsContact O-CG 3.25Å; R77-K81 WeakPolarHBondContact O-CG 3.47Å; R77-K81 PolarHBondContact O-N 3.04Å |
| 78 | C | 87.2 | Confident | 86.5 | Confident | 68 Ų | 68 | 102.1 Ų | 102.1 | 46% | 0.459 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -73.2 | -51.9 | 175.9 | -164.3 | 0 | 0 | 0 | 0 | 111.1 | E74 E75 S76 Q80 K81 Q82 | E74-C78 VanDerWaalsContact O-CB 3.32Å; E74-C78 WeakPolarHBondContact O-CB 3.39Å; E74-C78 PolarHBondContact O-N 3.15Å; E75-C78 CarbonylContact O-C 3.58Å; E75-C78 WeakPolarHBondContact O-CA 3.3Å; E75-C78 WeakPolarHBondContact O-CB 3.47Å; E75-C78 PolarHBondContact O-N 2.92Å; S76-C78 VanDerWaalsContact C-N 3.29Å; S76-C78 PolarHBondContact O-N 2.97Å; C78-Q80 VanDerWaalsContact C-N 3.27Å; C78-Q80 PolarHBondContact O-N 3.38Å; C78-K81 WeakPolarHBondContact O-CA 3.19Å; C78-K81 WeakPolarHBondContact O-CB 3.42Å; C78-K81 PolarHBondContact O-N 3.27Å; C78-Q82 PolarHBondContact O-N 2.78Å |
| 79 | M | 85.4 | Confident | 86.9 | Confident | 117 Ų | 117 | 106 Ų | 106 | 58% | 0.576 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -56.8 | -41.1 | 173.5 | -71.8 | -171.2 | -81.2 | 0 | 0 | 111.3 | E75 K81 Q82 L83 | E75-M79 PolarHBondContact O-N 3.16Å; M79-K81 VanDerWaalsContact C-N 3.32Å; M79-K81 PolarHBondContact O-N 2.84Å; M79-Q82 PolarHBondContact O-N 2.97Å; M79-Q82 VanDerWaalsContact O-N 3.16Å; M79-L83 VanDerWaalsContact O-CB 3.29Å; M79-L83 WeakPolarHBondContact O-CB 3.25Å; M79-L83 PolarHBondContact O-N 3.34Å |
| 80 | Q | 87.2 | Confident | 87.4 | Confident | 103 Ų | 103 | 104.4 Ų | 104.4 | 48% | 0.481 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.1 | -28.5 | 176.5 | -169.5 | 68.8 | -25.8 | 0 | 0 | 113.3 | S76 C78 K84 | S76-Q80 WeakPolarHBondContact O-CB 3.49Å; S76-Q80 PolarHBondContact O-N 2.87Å; C78-Q80 VanDerWaalsContact C-N 3.27Å; C78-Q80 PolarHBondContact O-N 3.38Å; Q80-K84 WeakPolarHBondContact O-CB 3.29Å; Q80-K84 WeakPolarHBondContact O-CD 3.45Å; Q80-K84 VanDerWaalsContact O-CG 3.25Å; Q80-K84 WeakPolarHBondContact O-CG 3.39Å; Q80-K84 PolarHBondContact O-N 3.22Å |
| 81 | K | 89.3 | Confident | 87.9 | Confident | 121 Ų | 121 | 104.4 Ų | 104.4 | 53% | 0.526 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -72.2 | -44.3 | 168.5 | -71.1 | 161.3 | -176.8 | 169.1 | 0 | 110.9 | R77 C78 M79 K84 A85 | R77-K81 WeakPolarHBondContact O-CD 3.49Å; R77-K81 VanDerWaalsContact O-CG 3.25Å; R77-K81 WeakPolarHBondContact O-CG 3.47Å; R77-K81 PolarHBondContact O-N 3.04Å; C78-K81 WeakPolarHBondContact O-CA 3.19Å; C78-K81 WeakPolarHBondContact O-CB 3.42Å; C78-K81 PolarHBondContact O-N 3.27Å; M79-K81 VanDerWaalsContact C-N 3.32Å; M79-K81 PolarHBondContact O-N 2.84Å; K81-K84 PolarHBondContact O-N 3.04Å; K81-A85 WeakPolarHBondContact O-CB 3.47Å; K81-A85 PolarHBondContact O-N 2.75Å |
| 82 | Q | 88.5 | Confident | 88.4 | Confident | 118 Ų | 118 | 105.1 Ų | 105.1 | 55% | 0.551 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66.2 | -42 | -178.2 | -171.6 | 171.5 | -0.9 | 0 | 0 | 111.9 | C78 M79 A85 L86 | C78-Q82 PolarHBondContact O-N 2.78Å; M79-Q82 PolarHBondContact O-N 2.97Å; M79-Q82 VanDerWaalsContact O-N 3.16Å; Q82-A85 WeakPolarHBondContact O-CB 3.49Å; Q82-A85 PolarHBondContact O-N 3.36Å; Q82-A85 VanDerWaalsContact O-N 3.15Å; Q82-L86 HydrophobicContact CG-CD1 4.32Å; Q82-L86 WeakPolarHBondContact O-CB 3.5Å; Q82-L86 WeakPolarHBondContact O-CG 3.37Å; Q82-L86 PolarHBondContact O-N 3.27Å |
| 83 | L | 87.8 | Confident | 88.8 | Confident | 99 Ų | 99 | 106.7 Ų | 106.7 | 52% | 0.518 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.6 | -44.4 | 174.6 | -164.2 | 160.7 | 0 | 0 | 0 | 110.7 | M79 A85 L86 Q87 | M79-L83 VanDerWaalsContact O-CB 3.29Å; M79-L83 WeakPolarHBondContact O-CB 3.25Å; M79-L83 PolarHBondContact O-N 3.34Å; L83-A85 VanDerWaalsContact C-N 3.32Å; L83-A85 PolarHBondContact O-N 2.87Å; L83-L86 PolarHBondContact O-N 3.42Å; L83-Q87 VanDerWaalsContact O-CB 3.28Å; L83-Q87 WeakPolarHBondContact O-CB 3.46Å; L83-Q87 PolarHBondContact O-N 3.28Å |
| 84 | K | 90.4 | Very high | 89.3 | Confident | 130 Ų | 130 | 104.3 Ų | 104.3 | 57% | 0.565 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61 | -37.3 | 171.8 | -75.3 | 175.6 | -179.9 | -176.5 | 0 | 112.9 | Q80 K81 K88 | Q80-K84 WeakPolarHBondContact O-CB 3.29Å; Q80-K84 WeakPolarHBondContact O-CD 3.45Å; Q80-K84 VanDerWaalsContact O-CG 3.25Å; Q80-K84 WeakPolarHBondContact O-CG 3.39Å; Q80-K84 PolarHBondContact O-N 3.22Å; K81-K84 PolarHBondContact O-N 3.04Å; K84-K88 WeakPolarHBondContact O-CB 3.3Å; K84-K88 PolarHBondContact O-N 2.74Å |
| 85 | A | 90.5 | Very high | 89.7 | Confident | 55 Ų | 55 | 106 Ų | 106 | 46% | 0.455 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -69.3 | -41 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | K81 Q82 L83 K88 K89 | K81-A85 WeakPolarHBondContact O-CB 3.47Å; K81-A85 PolarHBondContact O-N 2.75Å; Q82-A85 WeakPolarHBondContact O-CB 3.49Å; Q82-A85 PolarHBondContact O-N 3.36Å; Q82-A85 VanDerWaalsContact O-N 3.15Å; L83-A85 VanDerWaalsContact C-N 3.32Å; L83-A85 PolarHBondContact O-N 2.87Å; A85-K88 PolarHBondContact O-N 3.08Å; A85-K89 PolarHBondContact O-N 3.04Å |
| 86 | L | 89.8 | Confident | 90.1 | Very high | 103 Ų | 103 | 104.9 Ų | 104.9 | 54% | 0.539 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.5 | -43.5 | 174.4 | -71.6 | 171 | 0 | 0 | 0 | 111.6 | Q82 L83 K88 K89 Q90 | Q82-L86 HydrophobicContact CG-CD1 4.32Å; Q82-L86 WeakPolarHBondContact O-CB 3.5Å; Q82-L86 WeakPolarHBondContact O-CG 3.37Å; Q82-L86 PolarHBondContact O-N 3.27Å; L83-L86 PolarHBondContact O-N 3.42Å; L86-K88 VanDerWaalsContact C-N 3.3Å; L86-K88 PolarHBondContact O-N 2.92Å; L86-K89 CarbonylContact O-C 3.6Å; L86-K89 WeakPolarHBondContact O-CB 3.47Å; L86-K89 PolarHBondContact O-N 3.45Å; L86-K89 VanDerWaalsContact O-N 3.16Å; L86-Q90 WeakPolarHBondContact O-CB 3.44Å; L86-Q90 PolarHBondContact O-N 2.8Å |
| 87 | Q | 90.5 | Very high | 90.6 | Very high | 114 Ų | 114 | 108.7 Ų | 108.7 | 53% | 0.533 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.1 | -39.9 | 173.6 | -170.5 | -177.6 | 21.9 | 0 | 0 | 111.4 | L83 Q90 S91 | L83-Q87 VanDerWaalsContact O-CB 3.28Å; L83-Q87 WeakPolarHBondContact O-CB 3.46Å; L83-Q87 PolarHBondContact O-N 3.28Å; Q87-Q90 PolarHBondContact O-N 3.16Å; Q87-S91 WeakPolarHBondContact O-CB 3.35Å; Q87-S91 PolarHBondContact O-N 3.4Å |
| 88 | K | 92.1 | Very high | 90.9 | Very high | 156 Ų | 156 | 107.4 Ų | 107.4 | 68% | 0.678 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.8 | -45.7 | 173.1 | -171.2 | 178 | 179.6 | -177.6 | 0 | 111.5 | K84 A85 L86 S91 Q92 | K84-K88 WeakPolarHBondContact O-CB 3.3Å; K84-K88 PolarHBondContact O-N 2.74Å; A85-K88 PolarHBondContact O-N 3.08Å; L86-K88 VanDerWaalsContact C-N 3.3Å; L86-K88 PolarHBondContact O-N 2.92Å; K88-S91 PolarHBondContact O-N 2.8Å; K88-S91 PolarHBondContact O-OG 3.22Å; K88-Q92 PolarHBondContact O-N 3.46Å |
| 89 | K | 92.1 | Very high | 91.2 | Very high | 142 Ų | 142 | 109.6 Ų | 109.6 | 62% | 0.617 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -58.8 | -46.5 | 174.1 | -76.7 | -173.6 | 175.2 | -171.7 | 0 | 112 | A85 L86 S91 Q92 I93 | A85-K89 PolarHBondContact O-N 3.04Å; L86-K89 CarbonylContact O-C 3.6Å; L86-K89 WeakPolarHBondContact O-CB 3.47Å; L86-K89 PolarHBondContact O-N 3.45Å; L86-K89 VanDerWaalsContact O-N 3.16Å; K89-S91 VanDerWaalsContact C-N 3.34Å; K89-S91 PolarHBondContact O-N 3.08Å; K89-Q92 WeakPolarHBondContact O-CB 3.28Å; K89-Q92 PolarHBondContact O-N 3.01Å; K89-Q92 VanDerWaalsContact O-N 3.08Å; K89-I93 WeakPolarHBondContact O-CG1 3.42Å; K89-I93 PolarHBondContact O-N 3.28Å |
| 90 | Q | 91.6 | Very high | 91.7 | Very high | 130 Ų | 130 | 109.1 Ų | 109.1 | 61% | 0.607 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -57.5 | -46 | 175.5 | -171.4 | -172.3 | 33 | 0 | 0 | 111.1 | L86 Q87 Q92 I93 V94 | L86-Q90 WeakPolarHBondContact O-CB 3.44Å; L86-Q90 PolarHBondContact O-N 2.8Å; Q87-Q90 PolarHBondContact O-N 3.16Å; Q90-Q92 PolarHBondContact O-N 3.28Å; Q90-I93 PolarHBondContact O-N 2.85Å; Q90-V94 WeakPolarHBondContact O-CB 3.47Å; Q90-V94 VanDerWaalsContact O-CG2 3.29Å; Q90-V94 WeakPolarHBondContact O-CG2 3.31Å; Q90-V94 PolarHBondContact O-N 3.34Å |
| 91 | S | 92.3 | Very high | 92 | Very high | 53 Ų | 53 | 110 Ų | 110 | 37% | 0.371 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.1 | -26.1 | 177.5 | 81.8 | 0 | 0 | 0 | 0 | 113.6 | Q87 K88 K89 K95 | Q87-S91 WeakPolarHBondContact O-CB 3.35Å; Q87-S91 PolarHBondContact O-N 3.4Å; K88-S91 PolarHBondContact O-N 2.8Å; K88-S91 PolarHBondContact O-OG 3.22Å; K89-S91 VanDerWaalsContact C-N 3.34Å; K89-S91 PolarHBondContact O-N 3.08Å; S91-K95 WeakPolarHBondContact O-CD 3.27Å; S91-K95 VanDerWaalsContact O-CG 3.29Å; S91-K95 WeakPolarHBondContact O-CG 3.47Å; S91-K95 PolarHBondContact O-N 3.01Å |
| 92 | Q | 93.7 | Very high | 92.2 | Very high | 89 Ų | 89 | 105.6 Ų | 105.6 | 42% | 0.416 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -80 | -49.1 | 176.1 | -176.8 | 61.3 | 23.9 | 0 | 0 | 110.7 | K88 K89 Q90 V94 K95 E96 | K88-Q92 PolarHBondContact O-N 3.46Å; K89-Q92 WeakPolarHBondContact O-CB 3.28Å; K89-Q92 PolarHBondContact O-N 3.01Å; K89-Q92 VanDerWaalsContact O-N 3.08Å; Q90-Q92 PolarHBondContact O-N 3.28Å; Q92-V94 VanDerWaalsContact C-N 3.26Å; Q92-V94 PolarHBondContact O-N 2.87Å; Q92-K95 WeakPolarHBondContact O-CA 3.41Å; Q92-K95 WeakPolarHBondContact O-CB 3.48Å; Q92-K95 PolarHBondContact O-N 3.46Å; Q92-E96 VanDerWaalsContact CG-OE1 3.3Å; Q92-E96 WeakPolarHBondContact CG-OE1 3.46Å; Q92-E96 PolarHBondContact NE2-OE1 3.47Å; Q92-E96 WeakPolarHBondContact O-CG 3.29Å; Q92-E96 PolarHBondContact O-N 2.93Å |
| 93 | I | 92.8 | Very high | 92.5 | Very high | 106 Ų | 106 | 104.4 Ų | 104.4 | 54% | 0.544 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -58.6 | -38 | 176.4 | -67.1 | 163.3 | 0 | 0 | 0 | 111.2 | K89 Q90 E96 K97 | K89-I93 WeakPolarHBondContact O-CG1 3.42Å; K89-I93 PolarHBondContact O-N 3.28Å; Q90-I93 PolarHBondContact O-N 2.85Å; I93-E96 PolarHBondContact O-N 2.84Å; I93-K97 WeakPolarHBondContact O-CB 3.45Å; I93-K97 PolarHBondContact O-N 2.92Å |
| 94 | V | 93.4 | Very high | 92.8 | Very high | 76 Ų | 76 | 105.6 Ų | 105.6 | 46% | 0.461 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.8 | -40.5 | 174.5 | 168.8 | 0 | 0 | 0 | 0 | 111.7 | Q90 Q92 I98 | Q90-V94 WeakPolarHBondContact O-CB 3.47Å; Q90-V94 VanDerWaalsContact O-CG2 3.29Å; Q90-V94 WeakPolarHBondContact O-CG2 3.31Å; Q90-V94 PolarHBondContact O-N 3.34Å; Q92-V94 VanDerWaalsContact C-N 3.26Å; Q92-V94 PolarHBondContact O-N 2.87Å; V94-I98 HydrophobicContact CG1-CD1 3.95Å; V94-I98 WeakPolarHBondContact O-CD1 3.29Å; V94-I98 VanDerWaalsContact O-CG1 3.27Å; V94-I98 WeakPolarHBondContact O-CG1 3.44Å; V94-I98 PolarHBondContact O-N 3.41Å |
| 95 | K | 93.5 | Very high | 93.1 | Very high | 131 Ų | 131 | 102.1 Ų | 102.1 | 57% | 0.57 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.7 | -42.2 | 174.8 | -72.5 | 169.2 | -176.8 | 178.6 | 0 | 111.9 | S91 Q92 I98 H99 | S91-K95 WeakPolarHBondContact O-CD 3.27Å; S91-K95 VanDerWaalsContact O-CG 3.29Å; S91-K95 WeakPolarHBondContact O-CG 3.47Å; S91-K95 PolarHBondContact O-N 3.01Å; Q92-K95 WeakPolarHBondContact O-CA 3.41Å; Q92-K95 WeakPolarHBondContact O-CB 3.48Å; Q92-K95 PolarHBondContact O-N 3.46Å; K95-I98 PolarHBondContact O-N 3.04Å; K95-H99 VanDerWaalsContact O-CB 3.31Å; K95-H99 WeakPolarHBondContact O-CB 3.31Å; K95-H99 PolarHBondContact O-N 3.3Å |
| 96 | E | 93.3 | Very high | 93.3 | Very high | 86 Ų | 86 | 106.4 Ų | 106.4 | 40% | 0.402 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.8 | -42.9 | 177 | -72.8 | 162.5 | 178.8 | 0 | 0 | 111 | Q92 I93 I98 H99 L100 | Q92-E96 VanDerWaalsContact CG-OE1 3.3Å; Q92-E96 WeakPolarHBondContact CG-OE1 3.46Å; Q92-E96 PolarHBondContact NE2-OE1 3.47Å; Q92-E96 WeakPolarHBondContact O-CG 3.29Å; Q92-E96 PolarHBondContact O-N 2.93Å; I93-E96 PolarHBondContact O-N 2.84Å; E96-I98 PolarHBondContact O-N 3.26Å; E96-H99 PolarHBondContact O-N 3.15Å; E96-L100 WeakPolarHBondContact O-CB 3.39Å; E96-L100 VanDerWaalsContact O-CG 3.31Å; E96-L100 WeakPolarHBondContact O-CG 3.35Å; E96-L100 PolarHBondContact O-N 2.99Å |
| 97 | K | 94.1 | Very high | 93.6 | Very high | 150 Ų | 150 | 104.2 Ų | 104.2 | 65% | 0.652 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -58.6 | -47.4 | 172.3 | -178.4 | 171.5 | -179.3 | 170.3 | 0 | 112 | I93 H99 Q101 | I93-K97 WeakPolarHBondContact O-CB 3.45Å; I93-K97 PolarHBondContact O-N 2.92Å; K97-H99 VanDerWaalsContact C-N 3.34Å; K97-H99 PolarHBondContact O-N 3.12Å; K97-Q101 WeakPolarHBondContact O-CB 3.32Å; K97-Q101 PolarHBondContact O-N 3.44Å |
| 98 | I | 93.9 | Very high | 93.8 | Very high | 109 Ų | 109 | 103.1 Ų | 103.1 | 56% | 0.559 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.1 | -40.2 | 178 | -68.9 | 165.2 | 0 | 0 | 0 | 111.1 | V94 K95 E96 G102 | V94-I98 HydrophobicContact CG1-CD1 3.95Å; V94-I98 WeakPolarHBondContact O-CD1 3.29Å; V94-I98 VanDerWaalsContact O-CG1 3.27Å; V94-I98 WeakPolarHBondContact O-CG1 3.44Å; V94-I98 PolarHBondContact O-N 3.41Å; K95-I98 PolarHBondContact O-N 3.04Å; E96-I98 PolarHBondContact O-N 3.26Å; I98-G102 PolarHBondContact O-N 2.87Å |
| 99 | H | 93.4 | Very high | 94 | Very high | 113 Ų | 113 | 101.8 Ų | 101.8 | 52% | 0.523 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.9 | -52.8 | 177.4 | -177.7 | 16.9 | 0 | 0 | 0 | 111.4 | K95 E96 K97 Q101 G102 E103 | K95-H99 VanDerWaalsContact O-CB 3.31Å; K95-H99 WeakPolarHBondContact O-CB 3.31Å; K95-H99 PolarHBondContact O-N 3.3Å; E96-H99 PolarHBondContact O-N 3.15Å; K97-H99 VanDerWaalsContact C-N 3.34Å; K97-H99 PolarHBondContact O-N 3.12Å; H99-Q101 VanDerWaalsContact C-N 3.35Å; H99-Q101 PolarHBondContact O-N 3.47Å; H99-G102 WeakPolarHBondContact O-CA 3.45Å; H99-G102 PolarHBondContact O-N 3.5Å; H99-G102 VanDerWaalsContact O-N 3.12Å; H99-E103 VanDerWaalsContact CE1-CD 3.48Å; H99-E103 IonicContact CE1-OE1 3.68Å; H99-E103 PolarHBondContact CE1-OE1 3.17Å; H99-E103 VanDerWaalsContact CE1-OE1 3.28Å; H99-E103 IonicContact CE1-OE2 3.28Å; H99-E103 WeakPolarHBondContact O-CG 3.49Å; H99-E103 PolarHBondContact O-N 2.84Å |
| 100 | L | 95.1 | Very high | 94.2 | Very high | 108 Ų | 108 | 97.5 Ų | 97.5 | 57% | 0.565 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.3 | -38.4 | 178 | -70 | 170.2 | 0 | 0 | 0 | 112.1 | E96 G102 E103 H104 | E96-L100 WeakPolarHBondContact O-CB 3.39Å; E96-L100 VanDerWaalsContact O-CG 3.31Å; E96-L100 WeakPolarHBondContact O-CG 3.35Å; E96-L100 PolarHBondContact O-N 2.99Å; L100-G102 VanDerWaalsContact C-N 3.32Å; L100-G102 PolarHBondContact O-N 3.28Å; L100-E103 PolarHBondContact O-N 3.39Å; L100-H104 VanDerWaalsContact O-CB 3.26Å; L100-H104 WeakPolarHBondContact O-CB 3.49Å; L100-H104 PolarHBondContact O-N 3.5Å |
| 101 | Q | 93.9 | Very high | 94.4 | Very high | 120 Ų | 120 | 99.4 Ų | 99.4 | 56% | 0.561 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64 | -37.4 | 174.2 | -174.1 | 176.1 | 6.6 | 0 | 0 | 111.9 | K97 H99 S105 | K97-Q101 WeakPolarHBondContact O-CB 3.32Å; K97-Q101 PolarHBondContact O-N 3.44Å; H99-Q101 VanDerWaalsContact C-N 3.35Å; H99-Q101 PolarHBondContact O-N 3.47Å; Q101-S105 WeakPolarHBondContact O-CB 3.47Å; Q101-S105 PolarHBondContact O-N 3.16Å; Q101-S105 PolarHBondContact O-OG 2.73Å |
| 102 | G | 93.5 | Very high | 94.6 | Very high | 30 Ų | 30 | 100.2 Ų | 100.2 | 31% | 0.309 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.4 | -36.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | I98 H99 L100 K106 | I98-G102 PolarHBondContact O-N 2.87Å; H99-G102 WeakPolarHBondContact O-CA 3.45Å; H99-G102 PolarHBondContact O-N 3.5Å; H99-G102 VanDerWaalsContact O-N 3.12Å; L100-G102 VanDerWaalsContact C-N 3.32Å; L100-G102 PolarHBondContact O-N 3.28Å; G102-K106 VanDerWaalsContact O-CG 3.32Å; G102-K106 WeakPolarHBondContact O-CG 3.26Å; G102-K106 PolarHBondContact O-N 3.49Å; G102-K106 VanDerWaalsContact O-N 3.15Å |
| 103 | E | 94.2 | Very high | 94.8 | Very high | 92 Ų | 92 | 103 Ų | 103 | 43% | 0.43 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -71.6 | -42.5 | 174.1 | -67.5 | -165.7 | 142 | 0 | 0 | 112.4 | H99 L100 S105 K106 A107 | H99-E103 VanDerWaalsContact CE1-CD 3.48Å; H99-E103 IonicContact CE1-OE1 3.68Å; H99-E103 PolarHBondContact CE1-OE1 3.17Å; H99-E103 VanDerWaalsContact CE1-OE1 3.28Å; H99-E103 IonicContact CE1-OE2 3.28Å; H99-E103 WeakPolarHBondContact O-CG 3.49Å; H99-E103 PolarHBondContact O-N 2.84Å; L100-E103 PolarHBondContact O-N 3.39Å; E103-S105 VanDerWaalsContact C-N 3.29Å; E103-S105 PolarHBondContact O-N 2.8Å; E103-K106 WeakPolarHBondContact O-CB 3.47Å; E103-K106 PolarHBondContact O-N 3.26Å; E103-K106 VanDerWaalsContact O-N 3.16Å; E103-A107 WeakPolarHBondContact O-CB 3.2Å; E103-A107 PolarHBondContact O-N 2.89Å |
| 104 | H | 94.7 | Very high | 94.9 | Very high | 124 Ų | 124 | 103.1 Ų | 103.1 | 57% | 0.574 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -58.7 | -41.8 | 173.4 | -175.9 | 73.6 | 0 | 0 | 0 | 111.6 | L100 K106 A107 I108 | L100-H104 VanDerWaalsContact O-CB 3.26Å; L100-H104 WeakPolarHBondContact O-CB 3.49Å; L100-H104 PolarHBondContact O-N 3.5Å; H104-K106 PolarHBondContact O-N 2.84Å; H104-A107 WeakPolarHBondContact O-CB 3.35Å; H104-A107 PolarHBondContact O-N 3.36Å; H104-I108 WeakPolarHBondContact O-CG1 3.43Å; H104-I108 PolarHBondContact O-N 2.96Å |
| 105 | S | 95.8 | Very high | 95 | Very high | 58 Ų | 58 | 102.8 Ų | 102.8 | 41% | 0.406 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.4 | -40.8 | 175.3 | -60.5 | 0 | 0 | 0 | 0 | 112.3 | Q101 E103 L109 | Q101-S105 WeakPolarHBondContact O-CB 3.47Å; Q101-S105 PolarHBondContact O-N 3.16Å; Q101-S105 PolarHBondContact O-OG 2.73Å; E103-S105 VanDerWaalsContact C-N 3.29Å; E103-S105 PolarHBondContact O-N 2.8Å; S105-L109 WeakPolarHBondContact O-CG 3.4Å; S105-L109 PolarHBondContact O-N 3.47Å; S105-L109 VanDerWaalsContact O-N 3.17Å |
| 106 | K | 96.3 | Very high | 95.2 | Very high | 145 Ų | 145 | 99 Ų | 99 | 63% | 0.63 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.5 | -40.4 | 172 | -68.8 | 166.3 | -173 | 173.7 | 0 | 111.8 | G102 E103 H104 L109 A110 | G102-K106 VanDerWaalsContact O-CG 3.32Å; G102-K106 WeakPolarHBondContact O-CG 3.26Å; G102-K106 PolarHBondContact O-N 3.49Å; G102-K106 VanDerWaalsContact O-N 3.15Å; E103-K106 WeakPolarHBondContact O-CB 3.47Å; E103-K106 PolarHBondContact O-N 3.26Å; E103-K106 VanDerWaalsContact O-N 3.16Å; H104-K106 PolarHBondContact O-N 2.84Å; K106-L109 PolarHBondContact O-N 3.36Å; K106-A110 WeakPolarHBondContact O-CB 3.37Å; K106-A110 PolarHBondContact O-N 2.91Å |
| 107 | A | 95.6 | Very high | 95.3 | Very high | 56 Ų | 56 | 99 Ų | 99 | 46% | 0.463 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.5 | -41.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | E103 H104 A110 R111 | E103-A107 WeakPolarHBondContact O-CB 3.2Å; E103-A107 PolarHBondContact O-N 2.89Å; H104-A107 WeakPolarHBondContact O-CB 3.35Å; H104-A107 PolarHBondContact O-N 3.36Å; A107-A110 PolarHBondContact O-N 3.35Å; A107-R111 WeakPolarHBondContact O-CB 3.37Å; A107-R111 PolarHBondContact O-N 3.01Å |
| 108 | I | 95.6 | Very high | 95.4 | Very high | 92 Ų | 92 | 95.1 Ų | 95.1 | 47% | 0.472 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.8 | -47.5 | 173.1 | -70.3 | 165.8 | 0 | 0 | 0 | 110.9 | H104 A110 R111 S112 | H104-I108 WeakPolarHBondContact O-CG1 3.43Å; H104-I108 PolarHBondContact O-N 2.96Å; I108-A110 PolarHBondContact O-N 3.17Å; I108-R111 PolarHBondContact O-N 3.47Å; I108-S112 WeakPolarHBondContact O-CB 3.4Å; I108-S112 PolarHBondContact O-N 3.03Å |
| 109 | L | 95.8 | Very high | 95.6 | Very high | 127 Ų | 127 | 96.8 Ų | 96.8 | 67% | 0.665 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.2 | -40.5 | 178.6 | -70.7 | 170 | 0 | 0 | 0 | 112.1 | S105 K106 K113 | S105-L109 WeakPolarHBondContact O-CG 3.4Å; S105-L109 PolarHBondContact O-N 3.47Å; S105-L109 VanDerWaalsContact O-N 3.17Å; K106-L109 PolarHBondContact O-N 3.36Å; L109-K113 WeakPolarHBondContact O-CB 3.33Å; L109-K113 PolarHBondContact O-N 3.39Å |
| 110 | A | 95.9 | Very high | 95.7 | Very high | 53 Ų | 53 | 95.5 Ų | 95.5 | 44% | 0.438 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.8 | -44.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | K106 A107 I108 K113 L114 | K106-A110 WeakPolarHBondContact O-CB 3.37Å; K106-A110 PolarHBondContact O-N 2.91Å; A107-A110 PolarHBondContact O-N 3.35Å; I108-A110 PolarHBondContact O-N 3.17Å; A110-K113 PolarHBondContact O-N 2.9Å; A110-L114 WeakPolarHBondContact O-CG 3.43Å; A110-L114 PolarHBondContact O-N 3.2Å |
| 111 | R | 95.9 | Very high | 95.8 | Very high | 169 Ų | 169 | 95.5 Ų | 95.5 | 64% | 0.638 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62 | -47.2 | 177.3 | -154.2 | -167.5 | 90.1 | -179.1 | 8.3 | 111.2 | A107 I108 K113 L114 E115 | A107-R111 WeakPolarHBondContact O-CB 3.37Å; A107-R111 PolarHBondContact O-N 3.01Å; I108-R111 PolarHBondContact O-N 3.47Å; R111-K113 PolarHBondContact O-N 3.01Å; R111-L114 PolarHBondContact O-N 2.99Å; R111-E115 IonicContact CZ-OE1 3.74Å; R111-E115 IonicContact NE-OE1 2.62Å; R111-E115 PolarHBondContact NE-OE1 2.85Å; R111-E115 IonicContact NH2-OE1 3.61Å; R111-E115 PolarHBondContact NH2-OE1 2.82Å; R111-E115 WeakPolarHBondContact O-CG 3.38Å; R111-E115 PolarHBondContact O-N 3.37Å |
| 112 | S | 96.4 | Very high | 95.9 | Very high | 71 Ų | 71 | 96.3 Ų | 96.3 | 50% | 0.497 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.5 | -41.4 | 177 | 179.4 | 0 | 0 | 0 | 0 | 112.3 | I108 E115 S116 | I108-S112 WeakPolarHBondContact O-CB 3.4Å; I108-S112 PolarHBondContact O-N 3.03Å; S112-E115 PolarHBondContact O-N 3.36Å; S112-S116 PolarHBondContact O-N 3.22Å |
| 113 | K | 96.9 | Very high | 96.1 | Very high | 148 Ų | 148 | 101.8 Ų | 101.8 | 64% | 0.643 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.6 | -42.3 | 174.8 | -171.7 | 174.3 | -178.3 | 178.6 | 0 | 112.2 | L109 A110 R111 S116 L117 | L109-K113 WeakPolarHBondContact O-CB 3.33Å; L109-K113 PolarHBondContact O-N 3.39Å; A110-K113 PolarHBondContact O-N 2.9Å; R111-K113 PolarHBondContact O-N 3.01Å; K113-S116 PolarHBondContact O-N 3.44Å; K113-L117 HydrophobicContact CG-CD1 4.18Å; K113-L117 WeakPolarHBondContact O-CG 3.46Å; K113-L117 PolarHBondContact O-N 3.45Å |
| 114 | L | 96.3 | Very high | 96.2 | Very high | 108 Ų | 108 | 103.1 Ų | 103.1 | 57% | 0.565 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.5 | -40.6 | 174.8 | -71.5 | 170.4 | 0 | 0 | 0 | 111.8 | A110 R111 S116 L117 C118 | A110-L114 WeakPolarHBondContact O-CG 3.43Å; A110-L114 PolarHBondContact O-N 3.2Å; R111-L114 PolarHBondContact O-N 2.99Å; L114-S116 PolarHBondContact O-N 3.31Å; L114-L117 PolarHBondContact O-N 2.81Å; L114-C118 WeakPolarHBondContact O-CB 3.25Å; L114-C118 PolarHBondContact O-N 2.65Å; L114-C118 PolarHBondContact O-SG 2.82Å |
| 115 | E | 95.6 | Very high | 96.3 | Very high | 68 Ų | 68 | 101.5 Ų | 101.5 | 32% | 0.318 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.3 | -41.2 | 173.8 | -76.3 | -179.9 | -135.7 | 0 | 0 | 112.2 | R111 S112 R119 | R111-E115 IonicContact CZ-OE1 3.74Å; R111-E115 IonicContact NE-OE1 2.62Å; R111-E115 PolarHBondContact NE-OE1 2.85Å; R111-E115 IonicContact NH2-OE1 3.61Å; R111-E115 PolarHBondContact NH2-OE1 2.82Å; R111-E115 WeakPolarHBondContact O-CG 3.38Å; R111-E115 PolarHBondContact O-N 3.37Å; S112-E115 PolarHBondContact O-N 3.36Å; E115-R119 WeakPolarHBondContact O-CB 3.35Å; E115-R119 VanDerWaalsContact O-CG 3.23Å; E115-R119 WeakPolarHBondContact O-CG 3.39Å; E115-R119 PolarHBondContact O-N 3.13Å |
| 116 | S | 96.5 | Very high | 96.4 | Very high | 52 Ų | 52 | 104.8 Ų | 104.8 | 36% | 0.364 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.2 | -48.6 | 175.3 | -156.5 | 0 | 0 | 0 | 0 | 111.5 | S112 K113 L114 C118 R119 E120 | S112-S116 PolarHBondContact O-N 3.22Å; K113-S116 PolarHBondContact O-N 3.44Å; L114-S116 PolarHBondContact O-N 3.31Å; S116-C118 VanDerWaalsContact C-N 3.33Å; S116-C118 PolarHBondContact O-N 2.84Å; S116-R119 PolarHBondContact O-N 3.39Å; S116-R119 VanDerWaalsContact O-N 3.13Å; S116-E120 WeakPolarHBondContact O-CB 3.43Å; S116-E120 WeakPolarHBondContact O-CG 3.41Å; S116-E120 PolarHBondContact O-N 2.84Å; S116-E120 PolarHBondContact OG-OE1 3.38Å |
| 117 | L | 96.8 | Very high | 96.4 | Very high | 86 Ų | 86 | 100.9 Ų | 100.9 | 45% | 0.45 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.2 | -40.5 | 178.1 | -72.8 | 167.9 | 0 | 0 | 0 | 112.1 | K113 L114 E120 L121 | K113-L117 HydrophobicContact CG-CD1 4.18Å; K113-L117 WeakPolarHBondContact O-CG 3.46Å; K113-L117 PolarHBondContact O-N 3.45Å; L114-L117 PolarHBondContact O-N 2.81Å; L117-E120 PolarHBondContact O-N 2.74Å; L117-L121 VanDerWaalsContact O-CB 3.25Å; L117-L121 WeakPolarHBondContact O-CB 3.34Å; L117-L121 PolarHBondContact O-N 2.78Å |
| 118 | C | 95.8 | Very high | 96.4 | Very high | 69 Ų | 69 | 102.1 Ų | 102.1 | 47% | 0.466 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.7 | -42.2 | 174.4 | -74.3 | 0 | 0 | 0 | 0 | 112 | L114 S116 L121 Q122 | L114-C118 WeakPolarHBondContact O-CB 3.25Å; L114-C118 PolarHBondContact O-N 2.65Å; L114-C118 PolarHBondContact O-SG 2.82Å; S116-C118 VanDerWaalsContact C-N 3.33Å; S116-C118 PolarHBondContact O-N 2.84Å; C118-L121 PolarHBondContact O-N 3.44Å; C118-Q122 WeakPolarHBondContact O-CB 3.35Å; C118-Q122 VanDerWaalsContact O-CG 3.23Å; C118-Q122 WeakPolarHBondContact O-CG 3.4Å; C118-Q122 PolarHBondContact O-N 2.91Å |
| 119 | R | 97.1 | Very high | 96.5 | Very high | 143 Ų | 143 | 106 Ų | 106 | 54% | 0.54 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.7 | -38.2 | 175.1 | -70.6 | 169.2 | -169 | -112 | 8.5 | 111.9 | E115 S116 R123 | E115-R119 WeakPolarHBondContact O-CB 3.35Å; E115-R119 VanDerWaalsContact O-CG 3.23Å; E115-R119 WeakPolarHBondContact O-CG 3.39Å; E115-R119 PolarHBondContact O-N 3.13Å; S116-R119 PolarHBondContact O-N 3.39Å; S116-R119 VanDerWaalsContact O-N 3.13Å; R119-R123 WeakPolarHBondContact O-CG 3.45Å; R119-R123 PolarHBondContact O-N 3.45Å |
| 120 | E | 96.7 | Very high | 96.5 | Very high | 86 Ų | 86 | 104.9 Ų | 104.9 | 40% | 0.402 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.5 | -46.2 | 175.4 | -74.3 | 157.6 | -138.1 | 0 | 0 | 111.6 | S116 L117 Q122 R123 H124 | S116-E120 WeakPolarHBondContact O-CB 3.43Å; S116-E120 WeakPolarHBondContact O-CG 3.41Å; S116-E120 PolarHBondContact O-N 2.84Å; S116-E120 PolarHBondContact OG-OE1 3.38Å; L117-E120 PolarHBondContact O-N 2.74Å; E120-Q122 VanDerWaalsContact C-N 3.34Å; E120-Q122 PolarHBondContact O-N 2.88Å; E120-R123 PolarHBondContact O-N 3.46Å; E120-H124 WeakPolarHBondContact O-CB 3.48Å; E120-H124 PolarHBondContact O-N 3.26Å |
| 121 | L | 96.6 | Very high | 96.5 | Very high | 108 Ų | 108 | 106.9 Ų | 106.9 | 57% | 0.565 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.6 | -39.7 | 175.3 | -175.2 | 63.6 | 0 | 0 | 0 | 111.8 | L117 C118 H124 N125 | L117-L121 VanDerWaalsContact O-CB 3.25Å; L117-L121 WeakPolarHBondContact O-CB 3.34Å; L117-L121 PolarHBondContact O-N 2.78Å; C118-L121 PolarHBondContact O-N 3.44Å; L121-H124 PolarHBondContact O-N 2.95Å; L121-N125 WeakPolarHBondContact CD1-ND2 3.41Å; L121-N125 WeakPolarHBondContact O-CB 3.23Å; L121-N125 PolarHBondContact O-N 3.48Å; L121-N125 PolarHBondContact O-ND2 3.06Å |
| 122 | Q | 96.4 | Very high | 96.4 | Very high | 138 Ų | 138 | 103.7 Ų | 103.7 | 65% | 0.645 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.3 | -44.2 | 173.6 | -77.9 | 173.5 | -9.7 | 0 | 0 | 112.1 | C118 E120 K126 | C118-Q122 WeakPolarHBondContact O-CB 3.35Å; C118-Q122 VanDerWaalsContact O-CG 3.23Å; C118-Q122 WeakPolarHBondContact O-CG 3.4Å; C118-Q122 PolarHBondContact O-N 2.91Å; E120-Q122 VanDerWaalsContact C-N 3.34Å; E120-Q122 PolarHBondContact O-N 2.88Å; Q122-K126 WeakPolarHBondContact O-CB 3.33Å; Q122-K126 PolarHBondContact O-N 3.46Å |
| 123 | R | 97.6 | Very high | 96.4 | Very high | 144 Ų | 144 | 101.9 Ų | 101.9 | 54% | 0.543 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.5 | -49.1 | 173.1 | -73.8 | -175.3 | -134.6 | 106.4 | -1.3 | 111.1 | R119 E120 N125 K126 T127 | R119-R123 WeakPolarHBondContact O-CG 3.45Å; R119-R123 PolarHBondContact O-N 3.45Å; E120-R123 PolarHBondContact O-N 3.46Å; R123-N125 PolarHBondContact O-N 3.03Å; R123-K126 WeakPolarHBondContact O-CB 3.23Å; R123-K126 PolarHBondContact O-N 2.86Å; R123-K126 VanDerWaalsContact O-N 3.15Å; R123-T127 PolarHBondContact O-N 3.17Å; R123-T127 PolarHBondContact O-OG1 2.86Å |
| 124 | H | 96.6 | Very high | 96.4 | Very high | 120 Ų | 120 | 98.3 Ų | 98.3 | 56% | 0.556 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -62.3 | -41.6 | -179.1 | -170.8 | -90.5 | 0 | 0 | 0 | 112.5 | E120 L121 T127 L128 | E120-H124 WeakPolarHBondContact O-CB 3.48Å; E120-H124 PolarHBondContact O-N 3.26Å; L121-H124 PolarHBondContact O-N 2.95Å; H124-T127 PolarHBondContact O-N 3.46Å; H124-L128 WeakPolarHBondContact O-CB 3.3Å; H124-L128 PolarHBondContact O-N 2.89Å |
| 125 | N | 96.3 | Very high | 96.4 | Very high | 91 Ų | 91 | 98.6 Ų | 98.6 | 49% | 0.487 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.9 | -37.3 | 174.1 | -83.9 | -86.8 | 0 | 0 | 0 | 112.5 | L121 R123 K129 | L121-N125 WeakPolarHBondContact CD1-ND2 3.41Å; L121-N125 WeakPolarHBondContact O-CB 3.23Å; L121-N125 PolarHBondContact O-N 3.48Å; L121-N125 PolarHBondContact O-ND2 3.06Å; R123-N125 PolarHBondContact O-N 3.03Å; N125-K129 WeakPolarHBondContact O-CB 3.49Å; N125-K129 PolarHBondContact O-N 2.96Å |
| 126 | K | 97.1 | Very high | 96.5 | Very high | 126 Ų | 126 | 98.6 Ų | 98.6 | 55% | 0.548 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.1 | -51.2 | 173.6 | -179.9 | 178.3 | 169.3 | 179.2 | 0 | 110.7 | Q122 R123 L128 K129 E130 | Q122-K126 WeakPolarHBondContact O-CB 3.33Å; Q122-K126 PolarHBondContact O-N 3.46Å; R123-K126 WeakPolarHBondContact O-CB 3.23Å; R123-K126 PolarHBondContact O-N 2.86Å; R123-K126 VanDerWaalsContact O-N 3.15Å; K126-L128 PolarHBondContact O-N 3.15Å; K126-K129 WeakPolarHBondContact O-CB 3.41Å; K126-K129 PolarHBondContact O-N 2.96Å; K126-K129 VanDerWaalsContact O-N 3.12Å; K126-E130 VanDerWaalsContact CE-CD 3.43Å; K126-E130 WeakPolarHBondContact CE-OE1 3.39Å; K126-E130 HydrophobicContact CG-CG 4.49Å; K126-E130 IonicContact NZ-OE1 2.61Å; K126-E130 WeakPolarHBondContact O-CG 3.49Å; K126-E130 PolarHBondContact O-N 3.24Å |
| 127 | T | 96.3 | Very high | 96.5 | Very high | 63 Ų | 63 | 102.3 Ų | 102.3 | 39% | 0.387 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.1 | -44.6 | 178 | -58.1 | 0 | 0 | 0 | 0 | 111.8 | R123 H124 K129 E130 E131 | R123-T127 PolarHBondContact O-N 3.17Å; R123-T127 PolarHBondContact O-OG1 2.86Å; H124-T127 PolarHBondContact O-N 3.46Å; T127-K129 VanDerWaalsContact C-N 3.3Å; T127-K129 PolarHBondContact O-N 3.18Å; T127-E130 PolarHBondContact O-N 3.33Å; T127-E131 HydrophobicContact CG2-CG 4.24Å; T127-E131 WeakPolarHBondContact CG2-OE1 3.26Å; T127-E131 WeakPolarHBondContact O-CB 3.4Å; T127-E131 WeakPolarHBondContact O-CG 3.46Å; T127-E131 PolarHBondContact O-N 2.79Å |
| 128 | L | 96.6 | Very high | 96.4 | Very high | 83 Ų | 83 | 102.1 Ų | 102.1 | 44% | 0.435 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -58.4 | -39.5 | 173.8 | -96.1 | 172.6 | 0 | 0 | 0 | 113 | H124 K126 N132 | H124-L128 WeakPolarHBondContact O-CB 3.3Å; H124-L128 PolarHBondContact O-N 2.89Å; K126-L128 PolarHBondContact O-N 3.15Å; L128-N132 WeakPolarHBondContact O-CB 3.32Å; L128-N132 PolarHBondContact O-N 3Å |
| 129 | K | 96.6 | Very high | 96.5 | Very high | 172 Ų | 172 | 106 Ų | 106 | 75% | 0.748 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -69.2 | -38.8 | 177.5 | -171.2 | 175.8 | -179 | 179 | 0 | 111.7 | N125 K126 T127 G133 | N125-K129 WeakPolarHBondContact O-CB 3.49Å; N125-K129 PolarHBondContact O-N 2.96Å; K126-K129 WeakPolarHBondContact O-CB 3.41Å; K126-K129 PolarHBondContact O-N 2.96Å; K126-K129 VanDerWaalsContact O-N 3.12Å; T127-K129 VanDerWaalsContact C-N 3.3Å; T127-K129 PolarHBondContact O-N 3.18Å; K129-G133 PolarHBondContact O-N 3.37Å |
| 130 | E | 96.3 | Very high | 96.4 | Very high | 105 Ų | 105 | 104 Ų | 104 | 49% | 0.491 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68.2 | -47.4 | 176.2 | -71.4 | 170.9 | 156.2 | 0 | 0 | 111.3 | K126 T127 G133 Q134 | K126-E130 VanDerWaalsContact CE-CD 3.43Å; K126-E130 WeakPolarHBondContact CE-OE1 3.39Å; K126-E130 HydrophobicContact CG-CG 4.49Å; K126-E130 IonicContact NZ-OE1 2.61Å; K126-E130 WeakPolarHBondContact O-CG 3.49Å; K126-E130 PolarHBondContact O-N 3.24Å; T127-E130 PolarHBondContact O-N 3.33Å; E130-G133 CarbonylContact O-C 3.6Å; E130-G133 PolarHBondContact O-N 2.92Å; E130-Q134 VanDerWaalsContact O-CB 3.29Å; E130-Q134 WeakPolarHBondContact O-CB 3.18Å; E130-Q134 PolarHBondContact O-N 3.12Å |
| 131 | E | 95.6 | Very high | 96.4 | Very high | 95 Ų | 95 | 105 Ų | 105 | 44% | 0.444 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.1 | -45 | 174.6 | -76.1 | -178.6 | -167.3 | 0 | 0 | 112.6 | T127 Q134 R135 | T127-E131 HydrophobicContact CG2-CG 4.24Å; T127-E131 WeakPolarHBondContact CG2-OE1 3.26Å; T127-E131 WeakPolarHBondContact O-CB 3.4Å; T127-E131 WeakPolarHBondContact O-CG 3.46Å; T127-E131 PolarHBondContact O-N 2.79Å; E131-Q134 PolarHBondContact O-N 2.82Å; E131-R135 VanDerWaalsContact O-CB 3.3Å; E131-R135 WeakPolarHBondContact O-CB 3.24Å; E131-R135 PolarHBondContact O-N 3.25Å |
| 132 | N | 95.4 | Very high | 96.5 | Very high | 102 Ų | 102 | 105.2 Ų | 105.2 | 55% | 0.545 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.5 | -37.7 | 179.3 | -166.2 | 55.1 | 0 | 0 | 0 | 111.4 | L128 Q134 S136 | L128-N132 WeakPolarHBondContact O-CB 3.32Å; L128-N132 PolarHBondContact O-N 3Å; N132-Q134 VanDerWaalsContact C-N 3.31Å; N132-S136 VanDerWaalsContact O-CB 3.32Å; N132-S136 WeakPolarHBondContact O-CB 3.3Å; N132-S136 PolarHBondContact O-N 3.21Å |
| 133 | G | 96.4 | Very high | 96.5 | Very high | 32 Ų | 32 | 107.3 Ų | 107.3 | 33% | 0.33 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -70.6 | -22.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | K129 E130 R137 | K129-G133 PolarHBondContact O-N 3.37Å; E130-G133 CarbonylContact O-C 3.6Å; E130-G133 PolarHBondContact O-N 2.92Å; G133-R137 PolarHBondContact O-NE 3.01Å; G133-R137 PolarHBondContact O-NH2 2.92Å |
| 134 | Q | 96.6 | Very high | 96.5 | Very high | 73 Ų | 73 | 106 Ų | 106 | 34% | 0.341 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -77.6 | -52.9 | 170.8 | 179.3 | 60.1 | 30.9 | 0 | 0 | 110.7 | E130 E131 N132 S136 R137 E138 | E130-Q134 VanDerWaalsContact O-CB 3.29Å; E130-Q134 WeakPolarHBondContact O-CB 3.18Å; E130-Q134 PolarHBondContact O-N 3.12Å; E131-Q134 PolarHBondContact O-N 2.82Å; N132-Q134 VanDerWaalsContact C-N 3.31Å; Q134-S136 VanDerWaalsContact C-N 3.26Å; Q134-S136 PolarHBondContact O-N 3.43Å; Q134-R137 WeakPolarHBondContact O-CA 3.4Å; Q134-R137 WeakPolarHBondContact O-CB 2.76Å; Q134-R137 PolarHBondContact O-N 3.08Å; Q134-E138 VanDerWaalsContact CG-OE1 3.29Å; Q134-E138 WeakPolarHBondContact CG-OE1 3.29Å; Q134-E138 PolarHBondContact NE2-OE1 2.97Å; Q134-E138 PolarHBondContact O-N 3.42Å |
| 135 | R | 96.4 | Very high | 96.5 | Very high | 115 Ų | 115 | 106.7 Ų | 106.7 | 43% | 0.434 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -56.4 | -37.4 | 176.8 | -166.7 | -173.4 | -56.5 | 159.1 | 6 | 112.8 | E131 R137 E138 Y139 | E131-R135 VanDerWaalsContact O-CB 3.3Å; E131-R135 WeakPolarHBondContact O-CB 3.24Å; E131-R135 PolarHBondContact O-N 3.25Å; R135-R137 VanDerWaalsContact C-N 3.33Å; R135-R137 PolarHBondContact O-N 3.07Å; R135-E138 PolarHBondContact O-N 3.36Å; R135-Y139 HydrophobicContact CG-CD2 4Å; R135-Y139 HydrophobicContact CG-CE2 3.64Å; R135-Y139 VanDerWaalsContact O-CD2 3.26Å; R135-Y139 WeakPolarHBondContact O-CD2 3.45Å; R135-Y139 PolarHBondContact O-N 3.5Å |
| 136 | S | 96.1 | Very high | 96.6 | Very high | 67 Ų | 67 | 104.6 Ų | 104.6 | 47% | 0.469 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.1 | -33 | 174.9 | -167.7 | 0 | 0 | 0 | 0 | 113 | N132 Q134 E140 | N132-S136 VanDerWaalsContact O-CB 3.32Å; N132-S136 WeakPolarHBondContact O-CB 3.3Å; N132-S136 PolarHBondContact O-N 3.21Å; Q134-S136 VanDerWaalsContact C-N 3.26Å; Q134-S136 PolarHBondContact O-N 3.43Å; S136-E140 PolarHBondContact O-N 2.83Å |
| 137 | R | 96.5 | Very high | 96.6 | Very high | 131 Ų | 131 | 103.2 Ų | 103.2 | 49% | 0.494 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -74.6 | -42.9 | 175 | -76.9 | 177 | -75.2 | 136.2 | 2.9 | 111 | G133 Q134 R135 Y139 E140 E141 | G133-R137 PolarHBondContact O-NE 3.01Å; G133-R137 PolarHBondContact O-NH2 2.92Å; Q134-R137 WeakPolarHBondContact O-CA 3.4Å; Q134-R137 WeakPolarHBondContact O-CB 2.76Å; Q134-R137 PolarHBondContact O-N 3.08Å; R135-R137 VanDerWaalsContact C-N 3.33Å; R135-R137 PolarHBondContact O-N 3.07Å; R137-Y139 PolarHBondContact O-N 2.92Å; R137-E140 CarbonylContact O-C 3.59Å; R137-E140 WeakPolarHBondContact O-CB 3.43Å; R137-E140 PolarHBondContact O-N 2.96Å; R137-E140 VanDerWaalsContact O-N 3.08Å; R137-E141 WeakPolarHBondContact O-CB 3.44Å; R137-E141 WeakPolarHBondContact O-CG 3.44Å; R137-E141 PolarHBondContact O-N 3.24Å |
| 138 | E | 96.4 | Very high | 96.7 | Very high | 81 Ų | 81 | 105.2 Ų | 105.2 | 38% | 0.379 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.9 | -43.7 | 175.9 | -69.6 | 164.1 | 178.9 | 0 | 0 | 112.1 | Q134 R135 E141 Q142 | Q134-E138 VanDerWaalsContact CG-OE1 3.29Å; Q134-E138 WeakPolarHBondContact CG-OE1 3.29Å; Q134-E138 PolarHBondContact NE2-OE1 2.97Å; Q134-E138 PolarHBondContact O-N 3.42Å; R135-E138 PolarHBondContact O-N 3.36Å; E138-E141 PolarHBondContact O-N 2.92Å; E138-Q142 WeakPolarHBondContact O-CB 3.46Å; E138-Q142 VanDerWaalsContact O-CG 3.3Å; E138-Q142 WeakPolarHBondContact O-CG 3.29Å; E138-Q142 PolarHBondContact O-N 3.47Å |
| 139 | Y | 96.5 | Very high | 96.7 | Very high | 152 Ų | 152 | 106.7 Ų | 106.7 | 60% | 0.596 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -67.1 | -33.5 | 173.8 | -76.1 | -47.8 | 0 | 0 | 0 | 113.4 | R135 R137 R143 | R135-Y139 HydrophobicContact CG-CD2 4Å; R135-Y139 HydrophobicContact CG-CE2 3.64Å; R135-Y139 VanDerWaalsContact O-CD2 3.26Å; R135-Y139 WeakPolarHBondContact O-CD2 3.45Å; R135-Y139 PolarHBondContact O-N 3.5Å; R137-Y139 PolarHBondContact O-N 2.92Å; Y139-R143 VanDerWaalsContact O-CB 3.24Å; Y139-R143 WeakPolarHBondContact O-CB 3.18Å; Y139-R143 PolarHBondContact O-N 2.85Å |
| 140 | E | 95.9 | Very high | 96.8 | Very high | 101 Ų | 101 | 105.5 Ų | 105.5 | 47% | 0.472 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.5 | -38.3 | 172.8 | -89.2 | -163.5 | -162.6 | 0 | 0 | 112.8 | S136 R137 R143 K144 | S136-E140 PolarHBondContact O-N 2.83Å; R137-E140 CarbonylContact O-C 3.59Å; R137-E140 WeakPolarHBondContact O-CB 3.43Å; R137-E140 PolarHBondContact O-N 2.96Å; R137-E140 VanDerWaalsContact O-N 3.08Å; E140-R143 PolarHBondContact O-N 3.45Å; E140-K144 VanDerWaalsContact O-CD 3.29Å; E140-K144 WeakPolarHBondContact O-CD 3.29Å; E140-K144 WeakPolarHBondContact O-CG 3.5Å; E140-K144 PolarHBondContact O-N 2.79Å; E140-K144 IonicContact OE2-NZ 2.99Å; E140-K144 PolarHBondContact OE2-NZ 2.82Å |
| 141 | E | 96.8 | Very high | 96.9 | Very high | 107 Ų | 107 | 106.8 Ų | 106.8 | 50% | 0.5 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.4 | -50.3 | 177.4 | -75.2 | 168.6 | 173.8 | 0 | 0 | 110.3 | R137 E138 R143 K144 E145 | R137-E141 WeakPolarHBondContact O-CB 3.44Å; R137-E141 WeakPolarHBondContact O-CG 3.44Å; R137-E141 PolarHBondContact O-N 3.24Å; E138-E141 PolarHBondContact O-N 2.92Å; E141-R143 PolarHBondContact O-N 2.78Å; E141-K144 CarbonylContact O-C 3.57Å; E141-K144 WeakPolarHBondContact O-CA 3.09Å; E141-K144 WeakPolarHBondContact O-CB 3.29Å; E141-K144 PolarHBondContact O-N 2.96Å; E141-E145 WeakPolarHBondContact O-CG 3.46Å; E141-E145 PolarHBondContact O-N 3.41Å |
| 142 | Q | 97.4 | Very high | 97 | Very high | 111 Ų | 111 | 107.4 Ų | 107.4 | 52% | 0.519 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -55.7 | -37.7 | 172.4 | -71.5 | 172 | 13 | 0 | 0 | 112.5 | E138 A146 | E138-Q142 WeakPolarHBondContact O-CB 3.46Å; E138-Q142 VanDerWaalsContact O-CG 3.3Å; E138-Q142 WeakPolarHBondContact O-CG 3.29Å; E138-Q142 PolarHBondContact O-N 3.47Å; Q142-A146 VanDerWaalsContact O-CB 3.29Å; Q142-A146 WeakPolarHBondContact O-CB 3.31Å; Q142-A146 PolarHBondContact O-N 2.9Å |
| 143 | R | 97.6 | Very high | 97.1 | Very high | 182 Ų | 182 | 105 Ų | 105 | 69% | 0.687 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -68 | -37.7 | 175.3 | -179.1 | 178.6 | 174.5 | -169.2 | -2.6 | 112.5 | Y139 E140 E141 M147 | Y139-R143 VanDerWaalsContact O-CB 3.24Å; Y139-R143 WeakPolarHBondContact O-CB 3.18Å; Y139-R143 PolarHBondContact O-N 2.85Å; E140-R143 PolarHBondContact O-N 3.45Å; E141-R143 PolarHBondContact O-N 2.78Å; R143-M147 VanDerWaalsContact O-CB 3.31Å; R143-M147 WeakPolarHBondContact O-CB 3.36Å; R143-M147 PolarHBondContact O-N 2.83Å; R143-M147 VanDerWaalsContact O-N 3.09Å |
| 144 | K | 97.5 | Very high | 97.2 | Very high | 116 Ų | 116 | 108.4 Ų | 108.4 | 50% | 0.504 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -69 | -44.6 | 175.8 | -70.7 | 156.8 | -165.6 | 162 | 0 | 110.5 | E140 E141 M147 L148 | E140-K144 VanDerWaalsContact O-CD 3.29Å; E140-K144 WeakPolarHBondContact O-CD 3.29Å; E140-K144 WeakPolarHBondContact O-CG 3.5Å; E140-K144 PolarHBondContact O-N 2.79Å; E140-K144 IonicContact OE2-NZ 2.99Å; E140-K144 PolarHBondContact OE2-NZ 2.82Å; E141-K144 CarbonylContact O-C 3.57Å; E141-K144 WeakPolarHBondContact O-CA 3.09Å; E141-K144 WeakPolarHBondContact O-CB 3.29Å; E141-K144 PolarHBondContact O-N 2.96Å; K144-M147 PolarHBondContact O-N 2.98Å; K144-L148 WeakPolarHBondContact O-CB 3.32Å; K144-L148 PolarHBondContact O-N 3.38Å |
| 145 | E | 97.3 | Very high | 97.2 | Very high | 135 Ų | 135 | 106 Ų | 106 | 63% | 0.631 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.2 | -48.7 | 175.4 | -71 | 178.4 | 158.8 | 0 | 0 | 112 | E141 M147 L148 H149 | E141-E145 WeakPolarHBondContact O-CG 3.46Å; E141-E145 PolarHBondContact O-N 3.41Å; E145-M147 VanDerWaalsContact C-N 3.34Å; E145-M147 PolarHBondContact O-N 2.93Å; E145-L148 PolarHBondContact O-N 3.38Å; E145-H149 WeakPolarHBondContact O-CB 3.48Å; E145-H149 PolarHBondContact O-N 2.96Å |
| 146 | A | 97.1 | Very high | 97.3 | Very high | 47 Ų | 47 | 104.9 Ų | 104.9 | 39% | 0.388 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.8 | -42.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | Q142 H149 F150 | Q142-A146 VanDerWaalsContact O-CB 3.29Å; Q142-A146 WeakPolarHBondContact O-CB 3.31Å; Q142-A146 PolarHBondContact O-N 2.9Å; A146-H149 PolarHBondContact O-N 3.33Å; A146-F150 WeakPolarHBondContact O-CD2 3.45Å; A146-F150 PolarHBondContact O-N 3.09Å |
| 147 | M | 97 | Very high | 97.4 | Very high | 97 Ų | 97 | 105.6 Ų | 105.6 | 48% | 0.478 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64 | -42.2 | 176.8 | -172.3 | -179.6 | -58.8 | 0 | 0 | 112.2 | R143 K144 E145 F150 Q151 | R143-M147 VanDerWaalsContact O-CB 3.31Å; R143-M147 WeakPolarHBondContact O-CB 3.36Å; R143-M147 PolarHBondContact O-N 2.83Å; R143-M147 VanDerWaalsContact O-N 3.09Å; K144-M147 PolarHBondContact O-N 2.98Å; E145-M147 VanDerWaalsContact C-N 3.34Å; E145-M147 PolarHBondContact O-N 2.93Å; M147-F150 PolarHBondContact O-N 3.23Å; M147-Q151 WeakPolarHBondContact O-CG 3.46Å; M147-Q151 PolarHBondContact O-N 2.7Å |
| 148 | L | 98.1 | Very high | 97.4 | Very high | 105 Ų | 105 | 105.8 Ų | 105.8 | 55% | 0.55 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.6 | -40.1 | 177.1 | -170.8 | 151.3 | 0 | 0 | 0 | 111.2 | K144 E145 Q151 M152 | K144-L148 WeakPolarHBondContact O-CB 3.32Å; K144-L148 PolarHBondContact O-N 3.38Å; E145-L148 PolarHBondContact O-N 3.38Å; L148-Q151 PolarHBondContact O-N 2.83Å; L148-M152 WeakPolarHBondContact O-CB 3.27Å; L148-M152 PolarHBondContact O-N 3.28Å |
| 149 | H | 98 | Very high | 97.5 | Very high | 115 Ų | 115 | 105.5 Ų | 105.5 | 53% | 0.532 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.6 | -44.4 | 172.9 | -173 | -64.4 | 0 | 0 | 0 | 111.6 | E145 A146 M152 T153 | E145-H149 WeakPolarHBondContact O-CB 3.48Å; E145-H149 PolarHBondContact O-N 2.96Å; A146-H149 PolarHBondContact O-N 3.33Å; H149-M152 PolarHBondContact O-N 3.43Å; H149-T153 PolarHBondContact CE1-OG1 3.36Å; H149-T153 PolarHBondContact ND1-OG1 3.19Å; H149-T153 WeakPolarHBondContact O-CB 3.36Å; H149-T153 PolarHBondContact O-N 2.88Å; H149-T153 PolarHBondContact O-OG1 2.95Å |
| 150 | F | 97.9 | Very high | 97.6 | Very high | 147 Ų | 147 | 104.5 Ų | 104.5 | 65% | 0.645 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.1 | -43.1 | 174.9 | -79 | -59.8 | 0 | 0 | 0 | 112.4 | A146 M147 T153 L154 | A146-F150 WeakPolarHBondContact O-CD2 3.45Å; A146-F150 PolarHBondContact O-N 3.09Å; M147-F150 PolarHBondContact O-N 3.23Å; F150-T153 PolarHBondContact O-N 3.17Å; F150-L154 WeakPolarHBondContact O-CB 3.4Å; F150-L154 VanDerWaalsContact O-CG 3.32Å; F150-L154 WeakPolarHBondContact O-CG 3.4Å; F150-L154 PolarHBondContact O-N 2.96Å |
| 151 | Q | 97.9 | Very high | 97.6 | Very high | 132 Ų | 132 | 106 Ų | 106 | 62% | 0.617 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.2 | -43.2 | 176 | -76.2 | -178.8 | -15 | 0 | 0 | 112.3 | M147 L148 L154 G155 | M147-Q151 WeakPolarHBondContact O-CG 3.46Å; M147-Q151 PolarHBondContact O-N 2.7Å; L148-Q151 PolarHBondContact O-N 2.83Å; Q151-L154 PolarHBondContact O-N 3.39Å; Q151-G155 PolarHBondContact O-N 2.85Å |
| 152 | M | 98 | Very high | 97.7 | Very high | 108 Ų | 108 | 106.8 Ų | 106.8 | 53% | 0.532 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.3 | -43.9 | 177.6 | -168.3 | 164.6 | 67.5 | 0 | 0 | 111.3 | L148 H149 L154 G155 D156 | L148-M152 WeakPolarHBondContact O-CB 3.27Å; L148-M152 PolarHBondContact O-N 3.28Å; H149-M152 PolarHBondContact O-N 3.43Å; M152-L154 VanDerWaalsContact C-N 3.32Å; M152-L154 PolarHBondContact O-N 3.09Å; M152-G155 PolarHBondContact O-N 3.31Å; M152-D156 PolarHBondContact O-N 3.29Å |
| 153 | T | 97.7 | Very high | 97.7 | Very high | 52 Ų | 52 | 107.6 Ų | 107.6 | 32% | 0.319 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.7 | -38.8 | 175.8 | -51.3 | 0 | 0 | 0 | 0 | 111.9 | H149 F150 I157 | H149-T153 PolarHBondContact CE1-OG1 3.36Å; H149-T153 PolarHBondContact ND1-OG1 3.19Å; H149-T153 WeakPolarHBondContact O-CB 3.36Å; H149-T153 PolarHBondContact O-N 2.88Å; H149-T153 PolarHBondContact O-OG1 2.95Å; F150-T153 PolarHBondContact O-N 3.17Å; T153-I157 HydrophobicContact CG2-CD1 4.22Å; T153-I157 WeakPolarHBondContact O-CD1 3.46Å; T153-I157 VanDerWaalsContact O-CG1 3.27Å; T153-I157 WeakPolarHBondContact O-CG1 3.41Å; T153-I157 PolarHBondContact O-N 3.45Å; T153-I157 VanDerWaalsContact O-N 3.09Å |
| 154 | L | 97.8 | Very high | 97.7 | Very high | 102 Ų | 102 | 105.1 Ų | 105.1 | 53% | 0.534 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.2 | -44.2 | 174.6 | -75.5 | 167.5 | 0 | 0 | 0 | 111.5 | F150 Q151 M152 D156 I157 E158 | F150-L154 WeakPolarHBondContact O-CB 3.4Å; F150-L154 VanDerWaalsContact O-CG 3.32Å; F150-L154 WeakPolarHBondContact O-CG 3.4Å; F150-L154 PolarHBondContact O-N 2.96Å; Q151-L154 PolarHBondContact O-N 3.39Å; M152-L154 VanDerWaalsContact C-N 3.32Å; M152-L154 PolarHBondContact O-N 3.09Å; L154-D156 VanDerWaalsContact C-N 3.34Å; L154-D156 PolarHBondContact O-N 3.45Å; L154-I157 PolarHBondContact O-N 2.9Å; L154-I157 VanDerWaalsContact O-N 3.17Å; L154-E158 WeakPolarHBondContact O-CG 3.42Å; L154-E158 PolarHBondContact O-N 3.45Å |
| 155 | G | 98.2 | Very high | 97.7 | Very high | 24 Ų | 24 | 102.5 Ų | 102.5 | 25% | 0.247 | 52% | 0.521 | C | S | . | . | H | α-helix | trans | -60.5 | -40.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113 | Q151 M152 I157 E158 V159 | Q151-G155 PolarHBondContact O-N 2.85Å; M152-G155 PolarHBondContact O-N 3.31Å; G155-I157 VanDerWaalsContact C-N 3.33Å; G155-I157 PolarHBondContact O-N 2.86Å; G155-E158 PolarHBondContact O-N 3.48Å; G155-V159 WeakPolarHBondContact O-CB 3.35Å; G155-V159 VanDerWaalsContact O-CG2 3.28Å; G155-V159 WeakPolarHBondContact O-CG2 3.33Å; G155-V159 PolarHBondContact O-N 3.26Å |
| 156 | D | 98.1 | Very high | 97.7 | Very high | 90 Ų | 90 | 98.3 Ų | 98.3 | 48% | 0.481 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.4 | -38.2 | 174.4 | -71.7 | -33.8 | 0 | 0 | 0 | 111.9 | M152 L154 Q160 | M152-D156 PolarHBondContact O-N 3.29Å; L154-D156 VanDerWaalsContact C-N 3.34Å; L154-D156 PolarHBondContact O-N 3.45Å; D156-Q160 WeakPolarHBondContact O-CB 3.33Å; D156-Q160 WeakPolarHBondContact O-CG 3.46Å; D156-Q160 PolarHBondContact O-N 3.49Å |
| 157 | I | 97.8 | Very high | 97.8 | Very high | 82 Ų | 82 | 101 Ų | 101 | 42% | 0.421 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.8 | -44.4 | 174.7 | -69.2 | 164.1 | 0 | 0 | 0 | 111 | T153 L154 G155 V159 Q160 M161 | T153-I157 HydrophobicContact CG2-CD1 4.22Å; T153-I157 WeakPolarHBondContact O-CD1 3.46Å; T153-I157 VanDerWaalsContact O-CG1 3.27Å; T153-I157 WeakPolarHBondContact O-CG1 3.41Å; T153-I157 PolarHBondContact O-N 3.45Å; T153-I157 VanDerWaalsContact O-N 3.09Å; L154-I157 PolarHBondContact O-N 2.9Å; L154-I157 VanDerWaalsContact O-N 3.17Å; G155-I157 VanDerWaalsContact C-N 3.33Å; G155-I157 PolarHBondContact O-N 2.86Å; I157-V159 VanDerWaalsContact C-N 3.35Å; I157-V159 PolarHBondContact O-N 2.91Å; I157-Q160 PolarHBondContact O-N 3.47Å; I157-M161 HydrophobicContact CG2-SD 4.35Å; I157-M161 WeakPolarHBondContact O-CG 3.29Å; I157-M161 PolarHBondContact O-N 2.84Å |
| 158 | E | 97.4 | Very high | 97.8 | Very high | 135 Ų | 135 | 99.1 Ų | 99.1 | 63% | 0.631 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -59.8 | -44.5 | 175.5 | -73 | 174.6 | 175.8 | 0 | 0 | 111.2 | L154 G155 M161 E162 | L154-E158 WeakPolarHBondContact O-CG 3.42Å; L154-E158 PolarHBondContact O-N 3.45Å; G155-E158 PolarHBondContact O-N 3.48Å; E158-M161 PolarHBondContact O-N 2.88Å; E158-E162 PolarHBondContact O-N 2.86Å |
| 159 | V | 98.2 | Very high | 97.9 | Very high | 76 Ų | 76 | 96.7 Ų | 96.7 | 46% | 0.461 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.5 | -41.4 | 175.3 | 168.1 | 0 | 0 | 0 | 0 | 111.6 | G155 I157 E162 Q163 | G155-V159 WeakPolarHBondContact O-CB 3.35Å; G155-V159 VanDerWaalsContact O-CG2 3.28Å; G155-V159 WeakPolarHBondContact O-CG2 3.33Å; G155-V159 PolarHBondContact O-N 3.26Å; I157-V159 VanDerWaalsContact C-N 3.35Å; I157-V159 PolarHBondContact O-N 2.91Å; V159-E162 PolarHBondContact O-N 2.93Å; V159-Q163 HydrophobicContact CG1-CG 4.4Å; V159-Q163 VanDerWaalsContact CG1-NE2 3.3Å; V159-Q163 WeakPolarHBondContact O-CB 3.28Å; V159-Q163 WeakPolarHBondContact O-CG 3.13Å; V159-Q163 PolarHBondContact O-N 3.34Å |
| 160 | Q | 97.8 | Very high | 97.9 | Very high | 130 Ų | 130 | 96.6 Ų | 96.6 | 61% | 0.607 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.8 | -39.2 | 174.6 | -76.3 | -178.9 | 27.7 | 0 | 0 | 112.5 | D156 I157 Q163 H164 | D156-Q160 WeakPolarHBondContact O-CB 3.33Å; D156-Q160 WeakPolarHBondContact O-CG 3.46Å; D156-Q160 PolarHBondContact O-N 3.49Å; I157-Q160 PolarHBondContact O-N 3.47Å; Q160-Q163 PolarHBondContact O-N 2.87Å; Q160-H164 WeakPolarHBondContact O-CB 3.47Å; Q160-H164 PolarHBondContact O-N 2.93Å |
| 161 | M | 96.9 | Very high | 97.9 | Very high | 132 Ų | 132 | 92.6 Ų | 92.6 | 65% | 0.65 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -63.1 | -43.8 | 175.1 | -76.2 | -175.4 | 62.5 | 0 | 0 | 111.7 | I157 E158 H164 S165 | I157-M161 HydrophobicContact CG2-SD 4.35Å; I157-M161 WeakPolarHBondContact O-CG 3.29Å; I157-M161 PolarHBondContact O-N 2.84Å; E158-M161 PolarHBondContact O-N 2.88Å; M161-H164 PolarHBondContact O-N 3.43Å; M161-S165 VanDerWaalsContact O-CB 3.29Å; M161-S165 WeakPolarHBondContact O-CB 3.36Å; M161-S165 PolarHBondContact O-N 2.73Å |
| 162 | E | 97.4 | Very high | 97.9 | Very high | 125 Ų | 125 | 94 Ų | 94 | 58% | 0.584 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -69.9 | -38.9 | 177.7 | -173.4 | 52.6 | -142.2 | 0 | 0 | 112.1 | E158 V159 H164 S165 S166 | E158-E162 PolarHBondContact O-N 2.86Å; V159-E162 PolarHBondContact O-N 2.93Å; E162-H164 PolarHBondContact O-N 3.48Å; E162-S165 WeakPolarHBondContact O-CB 3.36Å; E162-S165 PolarHBondContact O-N 2.91Å; E162-S166 VanDerWaalsContact O-CB 3.3Å; E162-S166 WeakPolarHBondContact O-CB 3.22Å; E162-S166 PolarHBondContact O-N 3.46Å |
| 163 | Q | 97.7 | Very high | 97.9 | Very high | 128 Ų | 128 | 94 Ų | 94 | 60% | 0.598 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -60.3 | -45 | 171.9 | -76 | 176.3 | 17.2 | 0 | 0 | 111.8 | V159 Q160 S166 H167 | V159-Q163 HydrophobicContact CG1-CG 4.4Å; V159-Q163 VanDerWaalsContact CG1-NE2 3.3Å; V159-Q163 WeakPolarHBondContact O-CB 3.28Å; V159-Q163 WeakPolarHBondContact O-CG 3.13Å; V159-Q163 PolarHBondContact O-N 3.34Å; Q160-Q163 PolarHBondContact O-N 2.87Å; Q163-S166 PolarHBondContact O-N 2.86Å; Q163-H167 WeakPolarHBondContact O-CB 3.4Å; Q163-H167 PolarHBondContact O-N 3.24Å |
| 164 | H | 97.8 | Very high | 98 | Very high | 129 Ų | 129 | 96.3 Ų | 96.3 | 60% | 0.597 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -66.5 | -41.1 | 177.1 | -174.2 | -95 | 0 | 0 | 0 | 111.6 | Q160 M161 E162 H167 N168 | Q160-H164 WeakPolarHBondContact O-CB 3.47Å; Q160-H164 PolarHBondContact O-N 2.93Å; M161-H164 PolarHBondContact O-N 3.43Å; E162-H164 PolarHBondContact O-N 3.48Å; H164-H167 PolarHBondContact O-N 3.42Å; H164-N168 WeakPolarHBondContact O-CB 3.49Å; H164-N168 PolarHBondContact O-N 3.45Å |
| 165 | S | 97.8 | Very high | 98 | Very high | 62 Ų | 62 | 96.4 Ų | 96.4 | 43% | 0.434 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -56.5 | -52.6 | 172.5 | -176.9 | 0 | 0 | 0 | 0 | 111.4 | M161 E162 H167 N168 A169 | M161-S165 VanDerWaalsContact O-CB 3.29Å; M161-S165 WeakPolarHBondContact O-CB 3.36Å; M161-S165 PolarHBondContact O-N 2.73Å; E162-S165 WeakPolarHBondContact O-CB 3.36Å; E162-S165 PolarHBondContact O-N 2.91Å; S165-H167 PolarHBondContact O-N 2.88Å; S165-N168 PolarHBondContact O-N 3.03Å; S165-A169 WeakPolarHBondContact O-CB 3.43Å; S165-A169 PolarHBondContact O-N 3.31Å |
| 166 | S | 98 | Very high | 98 | Very high | 46 Ų | 46 | 101.4 Ų | 101.4 | 32% | 0.322 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.6 | -43.1 | 178.3 | -171.3 | 0 | 0 | 0 | 0 | 112.7 | E162 Q163 A169 K170 | E162-S166 VanDerWaalsContact O-CB 3.3Å; E162-S166 WeakPolarHBondContact O-CB 3.22Å; E162-S166 PolarHBondContact O-N 3.46Å; Q163-S166 PolarHBondContact O-N 2.86Å; S166-A169 PolarHBondContact O-N 3.45Å; S166-K170 WeakPolarHBondContact O-CG 3.42Å; S166-K170 PolarHBondContact O-N 3.34Å |
| 167 | H | 98.1 | Very high | 98 | Very high | 105 Ų | 105 | 100.8 Ų | 100.8 | 49% | 0.486 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.6 | -43 | 175.5 | -179.7 | 50.9 | 0 | 0 | 0 | 111.9 | Q163 H164 S165 A169 K170 L171 | Q163-H167 WeakPolarHBondContact O-CB 3.4Å; Q163-H167 PolarHBondContact O-N 3.24Å; H164-H167 PolarHBondContact O-N 3.42Å; S165-H167 PolarHBondContact O-N 2.88Å; H167-A169 VanDerWaalsContact C-N 3.3Å; H167-A169 PolarHBondContact O-N 2.83Å; H167-K170 PolarHBondContact O-N 2.77Å; H167-L171 WeakPolarHBondContact O-CG 3.42Å; H167-L171 PolarHBondContact O-N 3.5Å |
| 168 | N | 98.4 | Very high | 98.1 | Very high | 57 Ų | 57 | 101.4 Ų | 101.4 | 31% | 0.305 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.3 | -28.3 | 178 | -164 | -109.4 | 0 | 0 | 0 | 112.3 | H164 S165 R172 | H164-N168 WeakPolarHBondContact O-CB 3.49Å; H164-N168 PolarHBondContact O-N 3.45Å; S165-N168 PolarHBondContact O-N 3.03Å; N168-R172 PolarHBondContact O-N 3.42Å; N168-R172 PolarHBondContact O-NH1 3.28Å; N168-R172 PolarHBondContact OD1-NH1 3.41Å; N168-R172 PolarHBondContact OD1-NH2 2.84Å |
| 169 | A | 98.2 | Very high | 98.1 | Very high | 53 Ų | 53 | 97.6 Ų | 97.6 | 44% | 0.438 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -70.1 | -46.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112 | S165 S166 H167 L171 R172 Q173 | S165-A169 WeakPolarHBondContact O-CB 3.43Å; S165-A169 PolarHBondContact O-N 3.31Å; S166-A169 PolarHBondContact O-N 3.45Å; H167-A169 VanDerWaalsContact C-N 3.3Å; H167-A169 PolarHBondContact O-N 2.83Å; A169-L171 PolarHBondContact O-N 3.11Å; A169-R172 WeakPolarHBondContact O-CB 3.42Å; A169-R172 PolarHBondContact O-N 3.04Å; A169-R172 VanDerWaalsContact O-N 3.1Å; A169-Q173 PolarHBondContact O-N 3.1Å |
| 170 | K | 98.4 | Very high | 98.1 | Very high | 114 Ų | 114 | 97.6 Ų | 97.6 | 50% | 0.496 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -57.4 | -46.8 | 174.9 | -72 | 166.1 | -175.1 | 169.9 | 0 | 111.8 | S166 H167 R172 Q173 E174 | S166-K170 WeakPolarHBondContact O-CG 3.42Å; S166-K170 PolarHBondContact O-N 3.34Å; H167-K170 PolarHBondContact O-N 2.77Å; K170-R172 VanDerWaalsContact C-N 3.28Å; K170-R172 PolarHBondContact O-N 3.47Å; K170-Q173 WeakPolarHBondContact O-CB 3.3Å; K170-Q173 PolarHBondContact O-N 3.45Å; K170-E174 WeakPolarHBondContact O-CG 3.45Å; K170-E174 PolarHBondContact O-N 2.96Å |
| 171 | L | 98.4 | Very high | 98.2 | Very high | 63 Ų | 63 | 97 Ų | 97 | 33% | 0.33 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -58.7 | -35.9 | 175.3 | -73.6 | 174.1 | 0 | 0 | 0 | 112.9 | H167 A169 N175 | H167-L171 WeakPolarHBondContact O-CG 3.42Å; H167-L171 PolarHBondContact O-N 3.5Å; A169-L171 PolarHBondContact O-N 3.11Å; L171-N175 WeakPolarHBondContact O-CB 3.49Å; L171-N175 PolarHBondContact O-N 3.05Å; L171-N175 VanDerWaalsContact O-N 3.07Å; L171-N175 PolarHBondContact O-ND2 3Å |
| 172 | R | 98.3 | Very high | 98.3 | Very high | 161 Ų | 161 | 95.9 Ų | 95.9 | 61% | 0.608 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -67.3 | -42.3 | 172.7 | -75.7 | -171.7 | -167 | 76.4 | 3.8 | 112.1 | N168 A169 K170 N175 M176 | N168-R172 PolarHBondContact O-N 3.42Å; N168-R172 PolarHBondContact O-NH1 3.28Å; N168-R172 PolarHBondContact OD1-NH1 3.41Å; N168-R172 PolarHBondContact OD1-NH2 2.84Å; A169-R172 WeakPolarHBondContact O-CB 3.42Å; A169-R172 PolarHBondContact O-N 3.04Å; A169-R172 VanDerWaalsContact O-N 3.1Å; K170-R172 VanDerWaalsContact C-N 3.28Å; K170-R172 PolarHBondContact O-N 3.47Å; R172-N175 PolarHBondContact O-N 3.07Å; R172-M176 WeakPolarHBondContact O-CB 3.49Å; R172-M176 PolarHBondContact O-N 2.86Å |
| 173 | Q | 98.4 | Very high | 98.3 | Very high | 109 Ų | 109 | 95.8 Ų | 95.8 | 51% | 0.509 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.6 | -47.7 | 176.6 | -177.5 | -178.5 | -31 | 0 | 0 | 111.2 | A169 K170 N175 M176 E177 | A169-Q173 PolarHBondContact O-N 3.1Å; K170-Q173 WeakPolarHBondContact O-CB 3.3Å; K170-Q173 PolarHBondContact O-N 3.45Å; Q173-N175 VanDerWaalsContact C-N 3.34Å; Q173-N175 PolarHBondContact O-N 3.26Å; Q173-M176 WeakPolarHBondContact O-CB 3.34Å; Q173-M176 PolarHBondContact O-N 3.35Å; Q173-M176 VanDerWaalsContact O-N 3.11Å; Q173-E177 HydrophobicContact CG-CG 4.47Å; Q173-E177 PolarHBondContact NE2-OE1 3.48Å; Q173-E177 WeakPolarHBondContact O-CG 3.39Å; Q173-E177 PolarHBondContact O-N 2.93Å |
| 174 | E | 98.3 | Very high | 98.4 | Very high | 100 Ų | 100 | 94.6 Ų | 94.6 | 47% | 0.467 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -58.9 | -43.9 | 178.2 | -71.9 | 167.2 | -155.4 | 0 | 0 | 111.7 | K170 M176 E177 L178 | K170-E174 WeakPolarHBondContact O-CG 3.45Å; K170-E174 PolarHBondContact O-N 2.96Å; E174-M176 PolarHBondContact O-N 2.92Å; E174-E177 PolarHBondContact O-N 2.84Å; E174-L178 WeakPolarHBondContact O-CB 3.2Å; E174-L178 VanDerWaalsContact O-CG 3.24Å; E174-L178 WeakPolarHBondContact O-CG 3.24Å; E174-L178 PolarHBondContact O-N 2.9Å |
| 175 | N | 98.5 | Very high | 98.4 | Very high | 104 Ų | 104 | 92.3 Ų | 92.3 | 56% | 0.556 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -63.3 | -39.7 | 174 | -83.8 | -76.3 | 0 | 0 | 0 | 112.6 | L171 R172 Q173 L178 A179 | L171-N175 WeakPolarHBondContact O-CB 3.49Å; L171-N175 PolarHBondContact O-N 3.05Å; L171-N175 VanDerWaalsContact O-N 3.07Å; L171-N175 PolarHBondContact O-ND2 3Å; R172-N175 PolarHBondContact O-N 3.07Å; Q173-N175 VanDerWaalsContact C-N 3.34Å; Q173-N175 PolarHBondContact O-N 3.26Å; N175-L178 PolarHBondContact O-N 3.36Å; N175-A179 WeakPolarHBondContact O-CB 3.5Å; N175-A179 PolarHBondContact O-N 3.41Å |
| 176 | M | 98.3 | Very high | 98.4 | Very high | 129 Ų | 129 | 93.9 Ų | 93.9 | 64% | 0.635 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -65.9 | -43.2 | 176.6 | -171.2 | 171.2 | 68.5 | 0 | 0 | 111.4 | R172 Q173 E174 L178 A179 D180 | R172-M176 WeakPolarHBondContact O-CB 3.49Å; R172-M176 PolarHBondContact O-N 2.86Å; Q173-M176 WeakPolarHBondContact O-CB 3.34Å; Q173-M176 PolarHBondContact O-N 3.35Å; Q173-M176 VanDerWaalsContact O-N 3.11Å; E174-M176 PolarHBondContact O-N 2.92Å; M176-L178 VanDerWaalsContact C-N 3.33Å; M176-L178 PolarHBondContact O-N 3.46Å; M176-A179 PolarHBondContact O-N 3.39Å; M176-D180 WeakPolarHBondContact O-CB 2.91Å; M176-D180 PolarHBondContact O-N 2.95Å |
| 177 | E | 98.4 | Very high | 98.5 | Very high | 76 Ų | 76 | 95.3 Ų | 95.3 | 36% | 0.355 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64 | -36.2 | 173.9 | -72.5 | -174.9 | -150.9 | 0 | 0 | 112.9 | Q173 E174 D180 K181 | Q173-E177 HydrophobicContact CG-CG 4.47Å; Q173-E177 PolarHBondContact NE2-OE1 3.48Å; Q173-E177 WeakPolarHBondContact O-CG 3.39Å; Q173-E177 PolarHBondContact O-N 2.93Å; E174-E177 PolarHBondContact O-N 2.84Å; E177-D180 PolarHBondContact O-N 3.33Å; E177-K181 WeakPolarHBondContact O-CB 3.38Å; E177-K181 WeakPolarHBondContact O-CD 3.42Å; E177-K181 WeakPolarHBondContact O-CG 3.5Å; E177-K181 PolarHBondContact O-N 3.27Å; E177-K181 IonicContact OE2-NZ 3.96Å; E177-K181 PolarHBondContact OE2-NZ 2.88Å |
| 178 | L | 98.6 | Very high | 98.5 | Very high | 96 Ų | 96 | 95.3 Ų | 95.3 | 50% | 0.503 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -67.7 | -41.4 | 174.9 | -74.4 | 168.3 | 0 | 0 | 0 | 111.6 | E174 N175 M176 D180 K181 L182 | E174-L178 WeakPolarHBondContact O-CB 3.2Å; E174-L178 VanDerWaalsContact O-CG 3.24Å; E174-L178 WeakPolarHBondContact O-CG 3.24Å; E174-L178 PolarHBondContact O-N 2.9Å; N175-L178 PolarHBondContact O-N 3.36Å; M176-L178 VanDerWaalsContact C-N 3.33Å; M176-L178 PolarHBondContact O-N 3.46Å; L178-D180 VanDerWaalsContact C-N 3.32Å; L178-D180 PolarHBondContact O-N 2.91Å; L178-K181 PolarHBondContact O-N 2.92Å; L178-L182 WeakPolarHBondContact O-CB 3.12Å; L178-L182 WeakPolarHBondContact O-CG 3.42Å; L178-L182 PolarHBondContact O-N 3.45Å |
| 179 | A | 98.6 | Very high | 98.5 | Very high | 54 Ų | 54 | 99.5 Ų | 99.5 | 45% | 0.446 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.8 | -42 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | N175 M176 L182 K183 | N175-A179 WeakPolarHBondContact O-CB 3.5Å; N175-A179 PolarHBondContact O-N 3.41Å; M176-A179 PolarHBondContact O-N 3.39Å; A179-L182 PolarHBondContact O-N 2.84Å; A179-K183 WeakPolarHBondContact O-CB 3.48Å; A179-K183 PolarHBondContact O-N 2.76Å |
| 180 | D | 98.6 | Very high | 98.5 | Very high | 77 Ų | 77 | 102.1 Ų | 102.1 | 41% | 0.412 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.1 | -38.7 | 175.4 | -118.4 | 34.9 | 0 | 0 | 0 | 112.8 | M176 E177 L178 K184 | M176-D180 WeakPolarHBondContact O-CB 2.91Å; M176-D180 PolarHBondContact O-N 2.95Å; E177-D180 PolarHBondContact O-N 3.33Å; L178-D180 VanDerWaalsContact C-N 3.32Å; L178-D180 PolarHBondContact O-N 2.91Å; D180-K184 WeakPolarHBondContact O-CB 3.47Å; D180-K184 WeakPolarHBondContact O-CD 3.47Å; D180-K184 VanDerWaalsContact O-CG 3.27Å; D180-K184 WeakPolarHBondContact O-CG 3.4Å; D180-K184 PolarHBondContact O-N 3.18Å; D180-K184 VanDerWaalsContact O-N 3.07Å; D180-K184 IonicContact OD2-NZ 2.63Å; D180-K184 PolarHBondContact OD2-NZ 3Å |
| 181 | K | 98.6 | Very high | 98.5 | Very high | 116 Ų | 116 | 102.1 Ų | 102.1 | 50% | 0.504 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.6 | -41.3 | 175.5 | -71.6 | 156.1 | -162.9 | 163.1 | 0 | 110.9 | E177 L178 L185 | E177-K181 WeakPolarHBondContact O-CB 3.38Å; E177-K181 WeakPolarHBondContact O-CD 3.42Å; E177-K181 WeakPolarHBondContact O-CG 3.5Å; E177-K181 PolarHBondContact O-N 3.27Å; E177-K181 IonicContact OE2-NZ 3.96Å; E177-K181 PolarHBondContact OE2-NZ 2.88Å; L178-K181 PolarHBondContact O-N 2.92Å; K181-L185 WeakPolarHBondContact O-CB 3.47Å; K181-L185 PolarHBondContact O-N 2.92Å; K181-L185 VanDerWaalsContact O-N 3.1Å |
| 182 | L | 98.6 | Very high | 98.5 | Very high | 110 Ų | 110 | 105.5 Ų | 105.5 | 58% | 0.576 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.3 | -44.5 | 174.3 | -74.4 | 168.4 | 0 | 0 | 0 | 112.1 | L178 A179 L185 I186 | L178-L182 WeakPolarHBondContact O-CB 3.12Å; L178-L182 WeakPolarHBondContact O-CG 3.42Å; L178-L182 PolarHBondContact O-N 3.45Å; A179-L182 PolarHBondContact O-N 2.84Å; L182-L185 WeakPolarHBondContact O-CB 3.42Å; L182-L185 PolarHBondContact O-N 3.12Å; L182-L185 VanDerWaalsContact O-N 3.16Å; L182-I186 WeakPolarHBondContact O-CG1 3.27Å; L182-I186 PolarHBondContact O-N 3.1Å |
| 183 | K | 98.6 | Very high | 98.5 | Very high | 123 Ų | 123 | 104.5 Ų | 104.5 | 54% | 0.535 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.7 | -49.6 | 176.6 | 179.1 | 176.3 | 168.5 | -179.9 | 0 | 111.6 | A179 L185 I186 E187 | A179-K183 WeakPolarHBondContact O-CB 3.48Å; A179-K183 PolarHBondContact O-N 2.76Å; K183-L185 PolarHBondContact O-N 2.99Å; K183-I186 PolarHBondContact O-N 3.27Å; K183-I186 VanDerWaalsContact O-N 3.12Å; K183-E187 WeakPolarHBondContact CE-OE1 3.45Å; K183-E187 IonicContact NZ-OE1 3.29Å; K183-E187 WeakPolarHBondContact O-CG 3.44Å; K183-E187 PolarHBondContact O-N 2.82Å |
| 184 | K | 98.6 | Very high | 98.5 | Very high | 103 Ų | 103 | 104.1 Ų | 104.1 | 45% | 0.448 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.3 | -28.4 | 176.8 | -71.2 | 162 | -168.8 | 149.5 | 0 | 112.8 | D180 Q188 | D180-K184 WeakPolarHBondContact O-CB 3.47Å; D180-K184 WeakPolarHBondContact O-CD 3.47Å; D180-K184 VanDerWaalsContact O-CG 3.27Å; D180-K184 WeakPolarHBondContact O-CG 3.4Å; D180-K184 PolarHBondContact O-N 3.18Å; D180-K184 VanDerWaalsContact O-N 3.07Å; D180-K184 IonicContact OD2-NZ 2.63Å; D180-K184 PolarHBondContact OD2-NZ 3Å; K184-Q188 WeakPolarHBondContact O-CB 3.5Å; K184-Q188 VanDerWaalsContact O-CG 3.29Å; K184-Q188 WeakPolarHBondContact O-CG 3.44Å; K184-Q188 PolarHBondContact O-N 3.04Å |
| 185 | L | 98.6 | Very high | 98.5 | Very high | 80 Ų | 80 | 105 Ų | 105 | 42% | 0.419 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -72 | -43 | 173.9 | -174.8 | 62.8 | 0 | 0 | 0 | 111.4 | K181 L182 K183 Q188 Y189 | K181-L185 WeakPolarHBondContact O-CB 3.47Å; K181-L185 PolarHBondContact O-N 2.92Å; K181-L185 VanDerWaalsContact O-N 3.1Å; L182-L185 WeakPolarHBondContact O-CB 3.42Å; L182-L185 PolarHBondContact O-N 3.12Å; L182-L185 VanDerWaalsContact O-N 3.16Å; K183-L185 PolarHBondContact O-N 2.99Å; L185-Q188 PolarHBondContact O-N 3.16Å; L185-Y189 HydrophobicContact CD1-CD2 4.16Å; L185-Y189 HydrophobicContact CD1-CE2 3.73Å; L185-Y189 HydrophobicContact CD2-CE2 4.44Å; L185-Y189 HydrophobicContact CG-CD2 4.06Å; L185-Y189 HydrophobicContact CG-CE2 3.86Å; L185-Y189 VanDerWaalsContact O-CD2 3.25Å; L185-Y189 WeakPolarHBondContact O-CD2 3.29Å; L185-Y189 PolarHBondContact O-N 3.4Å |
| 186 | I | 98.5 | Very high | 98.5 | Very high | 96 Ų | 96 | 104.3 Ų | 104.3 | 49% | 0.492 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.6 | -50.5 | 175 | -66.5 | 163.6 | 0 | 0 | 0 | 110.3 | L182 K183 Q188 Y189 E190 | L182-I186 WeakPolarHBondContact O-CG1 3.27Å; L182-I186 PolarHBondContact O-N 3.1Å; K183-I186 PolarHBondContact O-N 3.27Å; K183-I186 VanDerWaalsContact O-N 3.12Å; I186-Q188 PolarHBondContact O-N 2.84Å; I186-Y189 WeakPolarHBondContact O-CA 3.39Å; I186-Y189 PolarHBondContact O-N 2.97Å; I186-E190 HydrophobicContact CG2-CG 4.31Å; I186-E190 WeakPolarHBondContact O-CG 3.34Å; I186-E190 PolarHBondContact O-N 3.07Å |
| 187 | E | 98.6 | Very high | 98.5 | Very high | 76 Ų | 76 | 101.7 Ų | 101.7 | 36% | 0.355 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -55.2 | -36.2 | 176.3 | -68.3 | 167.5 | 167.3 | 0 | 0 | 111.9 | K183 L191 | K183-E187 WeakPolarHBondContact CE-OE1 3.45Å; K183-E187 IonicContact NZ-OE1 3.29Å; K183-E187 WeakPolarHBondContact O-CG 3.44Å; K183-E187 PolarHBondContact O-N 2.82Å; E187-L191 WeakPolarHBondContact O-CB 3.38Å; E187-L191 WeakPolarHBondContact O-CD1 3.47Å; E187-L191 VanDerWaalsContact O-CG 3.25Å; E187-L191 WeakPolarHBondContact O-CG 3.46Å; E187-L191 PolarHBondContact O-N 2.89Å |
| 188 | Q | 98.4 | Very high | 98.5 | Very high | 104 Ų | 104 | 103.9 Ų | 103.9 | 49% | 0.486 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -75.5 | -20.8 | 174.6 | -78.9 | -177.3 | 34.6 | 0 | 0 | 115 | K184 L185 I186 R192 | K184-Q188 WeakPolarHBondContact O-CB 3.5Å; K184-Q188 VanDerWaalsContact O-CG 3.29Å; K184-Q188 WeakPolarHBondContact O-CG 3.44Å; K184-Q188 PolarHBondContact O-N 3.04Å; L185-Q188 PolarHBondContact O-N 3.16Å; I186-Q188 PolarHBondContact O-N 2.84Å; Q188-R192 WeakPolarHBondContact O-CG 3.25Å; Q188-R192 PolarHBondContact O-N 3.26Å; Q188-R192 PolarHBondContact O-NH1 3.44Å |
| 189 | Y | 98.6 | Very high | 98.5 | Very high | 146 Ų | 146 | 102.5 Ų | 102.5 | 57% | 0.573 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -81.6 | -45 | 171.2 | -86.3 | -71.9 | 0 | 0 | 0 | 110.6 | L185 I186 L191 R192 E193 | L185-Y189 HydrophobicContact CD1-CD2 4.16Å; L185-Y189 HydrophobicContact CD1-CE2 3.73Å; L185-Y189 HydrophobicContact CD2-CE2 4.44Å; L185-Y189 HydrophobicContact CG-CD2 4.06Å; L185-Y189 HydrophobicContact CG-CE2 3.86Å; L185-Y189 VanDerWaalsContact O-CD2 3.25Å; L185-Y189 WeakPolarHBondContact O-CD2 3.29Å; L185-Y189 PolarHBondContact O-N 3.4Å; I186-Y189 WeakPolarHBondContact O-CA 3.39Å; I186-Y189 PolarHBondContact O-N 2.97Å; Y189-L191 VanDerWaalsContact C-N 3.35Å; Y189-L191 PolarHBondContact O-N 3.07Å; Y189-R192 CarbonylContact O-C 3.59Å; Y189-R192 WeakPolarHBondContact O-CA 3.48Å; Y189-R192 WeakPolarHBondContact O-CB 3.38Å; Y189-R192 PolarHBondContact O-N 3.25Å; Y189-E193 WeakPolarHBondContact O-CB 3.47Å; Y189-E193 PolarHBondContact O-N 2.59Å |
| 190 | E | 98.4 | Very high | 98.5 | Very high | 108 Ų | 108 | 106.8 Ų | 106.8 | 51% | 0.505 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -55.7 | -47.4 | 174.4 | -67 | 169.9 | 161 | 0 | 0 | 111.2 | I186 R192 E193 E194 | I186-E190 HydrophobicContact CG2-CG 4.31Å; I186-E190 WeakPolarHBondContact O-CG 3.34Å; I186-E190 PolarHBondContact O-N 3.07Å; E190-R192 VanDerWaalsContact C-N 3.32Å; E190-R192 PolarHBondContact O-N 3.38Å; E190-E193 PolarHBondContact O-N 3.07Å; E190-E194 WeakPolarHBondContact O-CB 3.49Å; E190-E194 PolarHBondContact O-N 3.2Å |
| 191 | L | 98.6 | Very high | 98.5 | Very high | 114 Ų | 114 | 108.8 Ų | 108.8 | 60% | 0.597 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.8 | -30.7 | 175.5 | -73.7 | 170.5 | 0 | 0 | 0 | 113.8 | E187 Y189 H195 | E187-L191 WeakPolarHBondContact O-CB 3.38Å; E187-L191 WeakPolarHBondContact O-CD1 3.47Å; E187-L191 VanDerWaalsContact O-CG 3.25Å; E187-L191 WeakPolarHBondContact O-CG 3.46Å; E187-L191 PolarHBondContact O-N 2.89Å; Y189-L191 VanDerWaalsContact C-N 3.35Å; Y189-L191 PolarHBondContact O-N 3.07Å; L191-H195 WeakPolarHBondContact O-CB 3.31Å; L191-H195 PolarHBondContact O-N 2.61Å |
| 192 | R | 98.4 | Very high | 98.5 | Very high | 134 Ų | 134 | 109 Ų | 109 | 51% | 0.506 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -72.9 | -42.4 | 173.2 | -87.1 | -173 | -177.2 | 87.7 | -6.1 | 111.5 | Q188 Y189 E190 H195 I196 | Q188-R192 WeakPolarHBondContact O-CG 3.25Å; Q188-R192 PolarHBondContact O-N 3.26Å; Q188-R192 PolarHBondContact O-NH1 3.44Å; Y189-R192 CarbonylContact O-C 3.59Å; Y189-R192 WeakPolarHBondContact O-CA 3.48Å; Y189-R192 WeakPolarHBondContact O-CB 3.38Å; Y189-R192 PolarHBondContact O-N 3.25Å; E190-R192 VanDerWaalsContact C-N 3.32Å; E190-R192 PolarHBondContact O-N 3.38Å; R192-H195 PolarHBondContact O-N 3.21Å; R192-I196 WeakPolarHBondContact O-CB 3.24Å; R192-I196 VanDerWaalsContact O-CG1 3.28Å; R192-I196 WeakPolarHBondContact O-CG1 3.39Å; R192-I196 PolarHBondContact O-N 3.04Å |
| 193 | E | 98.4 | Very high | 98.5 | Very high | 139 Ų | 139 | 109.1 Ų | 109.1 | 65% | 0.65 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.6 | -49.2 | 178.2 | -171.3 | 163.8 | -158.7 | 0 | 0 | 109.9 | Y189 E190 H195 I196 D197 | Y189-E193 WeakPolarHBondContact O-CB 3.47Å; Y189-E193 PolarHBondContact O-N 2.59Å; E190-E193 PolarHBondContact O-N 3.07Å; E193-H195 VanDerWaalsContact C-N 3.27Å; E193-H195 PolarHBondContact O-N 3.47Å; E193-I196 PolarHBondContact O-N 3.46Å; E193-I196 VanDerWaalsContact O-N 3.15Å; E193-D197 VanDerWaalsContact O-CB 3.24Å; E193-D197 WeakPolarHBondContact O-CB 3.44Å; E193-D197 PolarHBondContact O-N 2.83Å |
| 194 | E | 98.4 | Very high | 98.5 | Very high | 101 Ų | 101 | 108.3 Ų | 108.3 | 47% | 0.472 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -51.9 | -41.9 | 170.3 | -91.2 | -160.3 | -145.3 | 0 | 0 | 113.3 | E190 K198 | E190-E194 WeakPolarHBondContact O-CB 3.49Å; E190-E194 PolarHBondContact O-N 3.2Å; E194-K198 WeakPolarHBondContact O-CB 3.25Å; E194-K198 WeakPolarHBondContact O-CD 3.48Å; E194-K198 WeakPolarHBondContact O-CE 3.42Å; E194-K198 WeakPolarHBondContact O-CG 3.28Å; E194-K198 PolarHBondContact O-N 2.87Å; E194-K198 IonicContact OE2-NZ 3.2Å; E194-K198 PolarHBondContact OE2-NZ 3.2Å |
| 195 | H | 98.4 | Very high | 98.5 | Very high | 119 Ų | 119 | 108.7 Ų | 108.7 | 55% | 0.551 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -69.7 | -44.4 | 178.9 | 177.1 | -83.4 | 0 | 0 | 0 | 111.9 | L191 R192 E193 D197 K198 V199 | L191-H195 WeakPolarHBondContact O-CB 3.31Å; L191-H195 PolarHBondContact O-N 2.61Å; R192-H195 PolarHBondContact O-N 3.21Å; E193-H195 VanDerWaalsContact C-N 3.27Å; E193-H195 PolarHBondContact O-N 3.47Å; H195-D197 VanDerWaalsContact C-N 3.29Å; H195-D197 PolarHBondContact O-N 2.83Å; H195-K198 PolarHBondContact O-N 2.98Å; H195-V199 WeakPolarHBondContact O-CG2 3.45Å; H195-V199 PolarHBondContact O-N 3.32Å |
| 196 | I | 98.6 | Very high | 98.5 | Very high | 90 Ų | 90 | 108.7 Ų | 108.7 | 46% | 0.462 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.7 | -44.4 | 175.1 | -72.7 | 163.9 | 0 | 0 | 0 | 109.9 | R192 E193 K198 V199 F200 | R192-I196 WeakPolarHBondContact O-CB 3.24Å; R192-I196 VanDerWaalsContact O-CG1 3.28Å; R192-I196 WeakPolarHBondContact O-CG1 3.39Å; R192-I196 PolarHBondContact O-N 3.04Å; E193-I196 PolarHBondContact O-N 3.46Å; E193-I196 VanDerWaalsContact O-N 3.15Å; I196-K198 PolarHBondContact O-N 3.23Å; I196-V199 CarbonylContact O-C 3.58Å; I196-V199 WeakPolarHBondContact O-CB 3.49Å; I196-V199 PolarHBondContact O-N 2.97Å; I196-V199 VanDerWaalsContact O-N 3.13Å; I196-F200 HydrophobicContact CG2-CD2 3.65Å; I196-F200 HydrophobicContact CG2-CE2 3.69Å; I196-F200 WeakPolarHBondContact O-CD2 3.15Å; I196-F200 PolarHBondContact O-N 3.45Å |
| 197 | D | 98.6 | Very high | 98.5 | Very high | 74 Ų | 74 | 108.9 Ų | 108.9 | 40% | 0.396 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.5 | -38.9 | -180 | -159.3 | 47.4 | 0 | 0 | 0 | 112.2 | E193 H195 F200 K201 | E193-D197 VanDerWaalsContact O-CB 3.24Å; E193-D197 WeakPolarHBondContact O-CB 3.44Å; E193-D197 PolarHBondContact O-N 2.83Å; H195-D197 VanDerWaalsContact C-N 3.29Å; H195-D197 PolarHBondContact O-N 2.83Å; D197-F200 PolarHBondContact O-N 3.13Å; D197-K201 WeakPolarHBondContact O-CB 3.49Å; D197-K201 WeakPolarHBondContact O-CD 3.3Å; D197-K201 VanDerWaalsContact O-CG 3.31Å; D197-K201 WeakPolarHBondContact O-CG 3.42Å; D197-K201 PolarHBondContact O-N 3.15Å; D197-K201 IonicContact OD1-NZ 2.88Å; D197-K201 WeakPolarHBondContact OD2-CE 3.5Å; D197-K201 IonicContact OD2-NZ 2.74Å; D197-K201 PolarHBondContact OD2-NZ 3.21Å |
| 198 | K | 98.6 | Very high | 98.5 | Very high | 121 Ų | 121 | 109.8 Ų | 109.8 | 53% | 0.526 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.4 | -38.7 | 171.1 | -70 | 158.2 | -161.6 | 168.6 | 0 | 112.2 | E194 H195 I196 H202 | E194-K198 WeakPolarHBondContact O-CB 3.25Å; E194-K198 WeakPolarHBondContact O-CD 3.48Å; E194-K198 WeakPolarHBondContact O-CE 3.42Å; E194-K198 WeakPolarHBondContact O-CG 3.28Å; E194-K198 PolarHBondContact O-N 2.87Å; E194-K198 IonicContact OE2-NZ 3.2Å; E194-K198 PolarHBondContact OE2-NZ 3.2Å; H195-K198 PolarHBondContact O-N 2.98Å; I196-K198 PolarHBondContact O-N 3.23Å; K198-H202 WeakPolarHBondContact O-CB 3.4Å; K198-H202 PolarHBondContact O-N 2.74Å |
| 199 | V | 98.6 | Very high | 98.5 | Very high | 68 Ų | 68 | 109.1 Ų | 109.1 | 41% | 0.412 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.8 | -42.2 | 175.1 | 170.7 | 0 | 0 | 0 | 0 | 111.5 | H195 I196 H202 K203 | H195-V199 WeakPolarHBondContact O-CG2 3.45Å; H195-V199 PolarHBondContact O-N 3.32Å; I196-V199 CarbonylContact O-C 3.58Å; I196-V199 WeakPolarHBondContact O-CB 3.49Å; I196-V199 PolarHBondContact O-N 2.97Å; I196-V199 VanDerWaalsContact O-N 3.13Å; V199-H202 PolarHBondContact O-N 3.14Å; V199-K203 WeakPolarHBondContact O-CG 3.19Å; V199-K203 PolarHBondContact O-N 3.13Å |
| 200 | F | 98.6 | Very high | 98.5 | Very high | 144 Ų | 144 | 106.5 Ų | 106.5 | 63% | 0.632 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.3 | -49 | 174 | -92.6 | -72.7 | 0 | 0 | 0 | 111.4 | I196 D197 H202 K203 E204 | I196-F200 HydrophobicContact CG2-CD2 3.65Å; I196-F200 HydrophobicContact CG2-CE2 3.69Å; I196-F200 WeakPolarHBondContact O-CD2 3.15Å; I196-F200 PolarHBondContact O-N 3.45Å; D197-F200 PolarHBondContact O-N 3.13Å; F200-H202 VanDerWaalsContact C-N 3.29Å; F200-H202 PolarHBondContact O-N 2.93Å; F200-K203 PolarHBondContact O-N 3.35Å; F200-E204 WeakPolarHBondContact O-CB 3.4Å; F200-E204 PolarHBondContact O-N 2.84Å |
| 201 | K | 98.5 | Very high | 98.5 | Very high | 119 Ų | 119 | 104.9 Ų | 104.9 | 52% | 0.517 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.2 | -38.4 | 176.7 | -73.5 | 161.9 | -177.9 | 166 | 0 | 112.4 | D197 L205 | D197-K201 WeakPolarHBondContact O-CB 3.49Å; D197-K201 WeakPolarHBondContact O-CD 3.3Å; D197-K201 VanDerWaalsContact O-CG 3.31Å; D197-K201 WeakPolarHBondContact O-CG 3.42Å; D197-K201 PolarHBondContact O-N 3.15Å; D197-K201 IonicContact OD1-NZ 2.88Å; D197-K201 WeakPolarHBondContact OD2-CE 3.5Å; D197-K201 IonicContact OD2-NZ 2.74Å; D197-K201 PolarHBondContact OD2-NZ 3.21Å; K201-L205 WeakPolarHBondContact O-CB 3.41Å; K201-L205 VanDerWaalsContact O-CG 3.3Å; K201-L205 WeakPolarHBondContact O-CG 3.35Å; K201-L205 PolarHBondContact O-N 3.01Å; K201-L205 VanDerWaalsContact O-N 3.14Å |
| 202 | H | 98.4 | Very high | 98.5 | Very high | 120 Ų | 120 | 102.4 Ų | 102.4 | 56% | 0.556 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -66.5 | -39.7 | 173.2 | 179.1 | 66.4 | 0 | 0 | 0 | 112.8 | K198 V199 F200 Q206 | K198-H202 WeakPolarHBondContact O-CB 3.4Å; K198-H202 PolarHBondContact O-N 2.74Å; V199-H202 PolarHBondContact O-N 3.14Å; F200-H202 VanDerWaalsContact C-N 3.29Å; F200-H202 PolarHBondContact O-N 2.93Å; H202-Q206 WeakPolarHBondContact O-CB 3.46Å; H202-Q206 PolarHBondContact O-N 2.82Å |
| 203 | K | 98.5 | Very high | 98.5 | Very high | 113 Ų | 113 | 101.3 Ų | 101.3 | 49% | 0.491 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69.9 | -40 | 178.3 | -75.5 | -73.5 | 161.6 | -162.9 | 0 | 112.9 | V199 F200 Q206 Q207 | V199-K203 WeakPolarHBondContact O-CG 3.19Å; V199-K203 PolarHBondContact O-N 3.13Å; F200-K203 PolarHBondContact O-N 3.35Å; K203-Q206 WeakPolarHBondContact O-CB 3.45Å; K203-Q206 PolarHBondContact O-N 2.97Å; K203-Q207 WeakPolarHBondContact O-CB 3.47Å; K203-Q207 PolarHBondContact O-N 2.94Å |
| 204 | E | 98.6 | Very high | 98.5 | Very high | 105 Ų | 105 | 99.8 Ų | 99.8 | 49% | 0.491 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.2 | -49.7 | 174.1 | -178.2 | 56.6 | -150.5 | 0 | 0 | 111 | F200 Q206 Q207 Q208 | F200-E204 WeakPolarHBondContact O-CB 3.4Å; F200-E204 PolarHBondContact O-N 2.84Å; E204-Q206 VanDerWaalsContact C-N 3.29Å; E204-Q206 PolarHBondContact O-N 3.05Å; E204-Q207 WeakPolarHBondContact O-CB 3.32Å; E204-Q207 PolarHBondContact O-N 2.92Å; E204-Q207 VanDerWaalsContact O-N 3.13Å; E204-Q208 WeakPolarHBondContact O-CG 3.44Å; E204-Q208 PolarHBondContact O-N 3.33Å; E204-Q208 PolarHBondContact OE1-NE2 3.32Å |
| 205 | L | 98.6 | Very high | 98.5 | Very high | 112 Ų | 112 | 100.4 Ų | 100.4 | 59% | 0.586 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.3 | -33.2 | 174.9 | -69.2 | 170.7 | 0 | 0 | 0 | 112.8 | K201 L209 | K201-L205 WeakPolarHBondContact O-CB 3.41Å; K201-L205 VanDerWaalsContact O-CG 3.3Å; K201-L205 WeakPolarHBondContact O-CG 3.35Å; K201-L205 PolarHBondContact O-N 3.01Å; K201-L205 VanDerWaalsContact O-N 3.14Å; L205-L209 VanDerWaalsContact O-CB 3.28Å; L205-L209 WeakPolarHBondContact O-CB 3.44Å; L205-L209 PolarHBondContact O-N 2.91Å |
| 206 | Q | 98.2 | Very high | 98.5 | Very high | 80 Ų | 80 | 102.8 Ų | 102.8 | 37% | 0.374 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.7 | -40.2 | 173.5 | -175.1 | 176.9 | 19.3 | 0 | 0 | 111.6 | H202 K203 E204 M210 | H202-Q206 WeakPolarHBondContact O-CB 3.46Å; H202-Q206 PolarHBondContact O-N 2.82Å; K203-Q206 WeakPolarHBondContact O-CB 3.45Å; K203-Q206 PolarHBondContact O-N 2.97Å; E204-Q206 VanDerWaalsContact C-N 3.29Å; E204-Q206 PolarHBondContact O-N 3.05Å; Q206-M210 WeakPolarHBondContact O-CG 3.49Å; Q206-M210 PolarHBondContact O-N 2.77Å |
| 207 | Q | 98.5 | Very high | 98.4 | Very high | 99 Ų | 99 | 103.1 Ų | 103.1 | 46% | 0.463 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.9 | -53.5 | 178.4 | -178 | 56.1 | 44.9 | 0 | 0 | 110.9 | K203 E204 L209 M210 D211 | K203-Q207 WeakPolarHBondContact O-CB 3.47Å; K203-Q207 PolarHBondContact O-N 2.94Å; E204-Q207 WeakPolarHBondContact O-CB 3.32Å; E204-Q207 PolarHBondContact O-N 2.92Å; E204-Q207 VanDerWaalsContact O-N 3.13Å; Q207-L209 PolarHBondContact O-N 2.88Å; Q207-L209 VanDerWaalsContact O-N 3.15Å; Q207-M210 WeakPolarHBondContact O-CA 3.29Å; Q207-M210 PolarHBondContact O-N 3.49Å; Q207-D211 WeakPolarHBondContact CG-OD2 3.37Å; Q207-D211 PolarHBondContact NE2-OD1 3.17Å; Q207-D211 PolarHBondContact NE2-OD2 2.97Å; Q207-D211 PolarHBondContact O-N 3.15Å |
| 208 | Q | 98.6 | Very high | 98.4 | Very high | 95 Ų | 95 | 103.4 Ų | 103.4 | 44% | 0.444 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -54 | -37.6 | 176.7 | -68.2 | 175.1 | 8.1 | 0 | 0 | 112.7 | E204 M210 D211 A212 | E204-Q208 WeakPolarHBondContact O-CG 3.44Å; E204-Q208 PolarHBondContact O-N 3.33Å; E204-Q208 PolarHBondContact OE1-NE2 3.32Å; Q208-M210 VanDerWaalsContact C-N 3.35Å; Q208-D211 PolarHBondContact O-N 2.86Å; Q208-A212 VanDerWaalsContact O-CB 3.29Å; Q208-A212 WeakPolarHBondContact O-CB 3.28Å; Q208-A212 PolarHBondContact O-N 2.67Å |
| 209 | L | 98.5 | Very high | 98.4 | Very high | 91 Ų | 91 | 102.5 Ų | 102.5 | 48% | 0.476 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -69.9 | -27.6 | 176.1 | 178.6 | 146.6 | 0 | 0 | 0 | 113.4 | L205 Q207 K213 | L205-L209 VanDerWaalsContact O-CB 3.28Å; L205-L209 WeakPolarHBondContact O-CB 3.44Å; L205-L209 PolarHBondContact O-N 2.91Å; Q207-L209 PolarHBondContact O-N 2.88Å; Q207-L209 VanDerWaalsContact O-N 3.15Å; L209-K213 HydrophobicContact CD2-CD 4.18Å; L209-K213 WeakPolarHBondContact O-CD 3.32Å; L209-K213 VanDerWaalsContact O-CG 3.25Å; L209-K213 WeakPolarHBondContact O-CG 3.39Å; L209-K213 PolarHBondContact O-N 2.83Å |
| 210 | M | 98 | Very high | 98.3 | Very high | 90 Ų | 90 | 104.2 Ų | 104.2 | 44% | 0.443 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -80.5 | -39.9 | 172.6 | -66.3 | -57.2 | -178.5 | 0 | 0 | 111.6 | Q206 Q207 Q208 K213 L214 | Q206-M210 WeakPolarHBondContact O-CG 3.49Å; Q206-M210 PolarHBondContact O-N 2.77Å; Q207-M210 WeakPolarHBondContact O-CA 3.29Å; Q207-M210 PolarHBondContact O-N 3.49Å; Q208-M210 VanDerWaalsContact C-N 3.35Å; M210-K213 WeakPolarHBondContact O-CB 3.45Å; M210-K213 PolarHBondContact O-N 3.48Å; M210-K213 HydrophobicContact SD-CD 4.14Å; M210-L214 WeakPolarHBondContact O-CB 3.36Å; M210-L214 PolarHBondContact O-N 3.32Å |
| 211 | D | 98.6 | Very high | 98.3 | Very high | 75 Ų | 75 | 102.3 Ų | 102.3 | 40% | 0.401 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.2 | -43.1 | 176.7 | -64.1 | -38.5 | 0 | 0 | 0 | 111.5 | Q207 Q208 K213 L214 Q215 | Q207-D211 WeakPolarHBondContact CG-OD2 3.37Å; Q207-D211 PolarHBondContact NE2-OD1 3.17Å; Q207-D211 PolarHBondContact NE2-OD2 2.97Å; Q207-D211 PolarHBondContact O-N 3.15Å; Q208-D211 PolarHBondContact O-N 2.86Å; D211-K213 VanDerWaalsContact C-N 3.28Å; D211-K213 PolarHBondContact O-N 3.28Å; D211-L214 PolarHBondContact O-N 3.22Å; D211-Q215 WeakPolarHBondContact O-CB 3.49Å; D211-Q215 PolarHBondContact O-N 3.17Å |
| 212 | A | 98.4 | Very high | 98.2 | Very high | 61 Ų | 61 | 102.2 Ų | 102.2 | 50% | 0.504 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.4 | -31.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q208 R216 | Q208-A212 VanDerWaalsContact O-CB 3.29Å; Q208-A212 WeakPolarHBondContact O-CB 3.28Å; Q208-A212 PolarHBondContact O-N 2.67Å; A212-R216 WeakPolarHBondContact O-CB 3.35Å; A212-R216 PolarHBondContact O-N 2.89Å; A212-R216 VanDerWaalsContact O-N 3.17Å |
| 213 | K | 98.4 | Very high | 98.2 | Very high | 112 Ų | 112 | 101.4 Ų | 101.4 | 49% | 0.487 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -71.7 | -42.9 | 172.3 | -78.6 | 171.8 | -179.8 | 178.9 | 0 | 111.8 | L209 M210 D211 R216 I217 | L209-K213 HydrophobicContact CD2-CD 4.18Å; L209-K213 WeakPolarHBondContact O-CD 3.32Å; L209-K213 VanDerWaalsContact O-CG 3.25Å; L209-K213 WeakPolarHBondContact O-CG 3.39Å; L209-K213 PolarHBondContact O-N 2.83Å; M210-K213 WeakPolarHBondContact O-CB 3.45Å; M210-K213 PolarHBondContact O-N 3.48Å; M210-K213 HydrophobicContact SD-CD 4.14Å; D211-K213 VanDerWaalsContact C-N 3.28Å; D211-K213 PolarHBondContact O-N 3.28Å; K213-R216 PolarHBondContact O-N 3.04Å; K213-I217 VanDerWaalsContact O-CG1 3.32Å; K213-I217 WeakPolarHBondContact O-CG1 3.46Å; K213-I217 PolarHBondContact O-N 3.16Å |
| 214 | L | 98.6 | Very high | 98.2 | Very high | 107 Ų | 107 | 99.4 Ų | 99.4 | 56% | 0.56 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.1 | -51.3 | 177.8 | 179.3 | 60.4 | 0 | 0 | 0 | 110.3 | M210 D211 R216 I217 T218 | M210-L214 WeakPolarHBondContact O-CB 3.36Å; M210-L214 PolarHBondContact O-N 3.32Å; D211-L214 PolarHBondContact O-N 3.22Å; L214-R216 VanDerWaalsContact C-N 3.34Å; L214-R216 PolarHBondContact O-N 3.19Å; L214-I217 PolarHBondContact O-N 3.36Å; L214-T218 PolarHBondContact O-N 3.44Å; L214-T218 PolarHBondContact O-OG1 3.34Å |
| 215 | Q | 98.3 | Very high | 98.1 | Very high | 114 Ų | 114 | 99.5 Ų | 99.5 | 53% | 0.533 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -53.2 | -49.4 | 175.5 | 178.7 | 176.8 | -9.5 | 0 | 0 | 111.4 | D211 I217 T218 E219 | D211-Q215 WeakPolarHBondContact O-CB 3.49Å; D211-Q215 PolarHBondContact O-N 3.17Å; Q215-I217 VanDerWaalsContact C-N 3.3Å; Q215-I217 PolarHBondContact O-N 2.83Å; Q215-T218 PolarHBondContact O-N 3.05Å; Q215-T218 VanDerWaalsContact O-N 3.16Å; Q215-E219 HydrophobicContact CG-CG 4.31Å; Q215-E219 WeakPolarHBondContact CG-OE1 3.41Å; Q215-E219 PolarHBondContact NE2-OE1 3.15Å; Q215-E219 WeakPolarHBondContact O-CB 3.37Å; Q215-E219 WeakPolarHBondContact O-CG 3.25Å; Q215-E219 PolarHBondContact O-N 2.86Å |
| 216 | R | 97.9 | Very high | 98.1 | Very high | 168 Ų | 168 | 97.5 Ų | 97.5 | 63% | 0.634 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -59.2 | -38.2 | 177.3 | 179.5 | 177.5 | 174.2 | 174.1 | 1.3 | 112.9 | A212 K213 L214 M220 | A212-R216 WeakPolarHBondContact O-CB 3.35Å; A212-R216 PolarHBondContact O-N 2.89Å; A212-R216 VanDerWaalsContact O-N 3.17Å; K213-R216 PolarHBondContact O-N 3.04Å; L214-R216 VanDerWaalsContact C-N 3.34Å; L214-R216 PolarHBondContact O-N 3.19Å; R216-M220 HydrophobicContact CG-SD 4.29Å; R216-M220 WeakPolarHBondContact O-CB 3.44Å; R216-M220 VanDerWaalsContact O-CG 3.29Å; R216-M220 WeakPolarHBondContact O-CG 3.41Å; R216-M220 PolarHBondContact O-N 2.71Å |
| 217 | I | 97.9 | Very high | 98 | Very high | 98 Ų | 98 | 98.2 Ų | 98.2 | 50% | 0.503 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -68 | -44.9 | 176.2 | -69.4 | 165 | 0 | 0 | 0 | 110.2 | K213 L214 Q215 E219 M220 M221 | K213-I217 VanDerWaalsContact O-CG1 3.32Å; K213-I217 WeakPolarHBondContact O-CG1 3.46Å; K213-I217 PolarHBondContact O-N 3.16Å; L214-I217 PolarHBondContact O-N 3.36Å; Q215-I217 VanDerWaalsContact C-N 3.3Å; Q215-I217 PolarHBondContact O-N 2.83Å; I217-E219 PolarHBondContact O-N 3.17Å; I217-M220 PolarHBondContact O-N 3.21Å; I217-M221 HydrophobicContact CG2-CG 4.49Å; I217-M221 HydrophobicContact CG2-SD 4.21Å; I217-M221 WeakPolarHBondContact O-CB 3.25Å; I217-M221 WeakPolarHBondContact O-CG 3.3Å; I217-M221 PolarHBondContact O-N 2.88Å |
| 218 | T | 98.1 | Very high | 98 | Very high | 80 Ų | 80 | 97.2 Ų | 97.2 | 49% | 0.491 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.8 | -42.4 | 176.3 | -57.6 | 0 | 0 | 0 | 0 | 112.2 | L214 Q215 M221 K222 | L214-T218 PolarHBondContact O-N 3.44Å; L214-T218 PolarHBondContact O-OG1 3.34Å; Q215-T218 PolarHBondContact O-N 3.05Å; Q215-T218 VanDerWaalsContact O-N 3.16Å; T218-M221 PolarHBondContact O-N 3.38Å; T218-K222 WeakPolarHBondContact O-CB 3.39Å; T218-K222 PolarHBondContact O-N 3.38Å |
| 219 | E | 97.9 | Very high | 98 | Very high | 101 Ų | 101 | 96.7 Ų | 96.7 | 47% | 0.472 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.2 | -45.2 | 175.4 | -73.1 | 169.5 | 174.3 | 0 | 0 | 111.7 | Q215 I217 M221 K222 E223 | Q215-E219 HydrophobicContact CG-CG 4.31Å; Q215-E219 WeakPolarHBondContact CG-OE1 3.41Å; Q215-E219 PolarHBondContact NE2-OE1 3.15Å; Q215-E219 WeakPolarHBondContact O-CB 3.37Å; Q215-E219 WeakPolarHBondContact O-CG 3.25Å; Q215-E219 PolarHBondContact O-N 2.86Å; I217-E219 PolarHBondContact O-N 3.17Å; E219-M221 PolarHBondContact O-N 3.44Å; E219-K222 PolarHBondContact O-N 3.4Å; E219-E223 PolarHBondContact O-N 3.48Å |
| 220 | M | 97.9 | Very high | 97.9 | Very high | 105 Ų | 105 | 98.7 Ų | 98.7 | 52% | 0.517 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.2 | -37.7 | 175.5 | -75.5 | -178 | 63 | 0 | 0 | 112.8 | R216 I217 V224 | R216-M220 HydrophobicContact CG-SD 4.29Å; R216-M220 WeakPolarHBondContact O-CB 3.44Å; R216-M220 VanDerWaalsContact O-CG 3.29Å; R216-M220 WeakPolarHBondContact O-CG 3.41Å; R216-M220 PolarHBondContact O-N 2.71Å; I217-M220 PolarHBondContact O-N 3.21Å; M220-V224 WeakPolarHBondContact O-CG2 3.15Å; M220-V224 PolarHBondContact O-N 3.01Å |
| 221 | M | 97.4 | Very high | 97.9 | Very high | 104 Ų | 104 | 100.1 Ų | 100.1 | 51% | 0.512 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.6 | -49.5 | 173.2 | -76.2 | -178.2 | 63.6 | 0 | 0 | 111 | I217 T218 E219 E223 V224 E225 | I217-M221 HydrophobicContact CG2-CG 4.49Å; I217-M221 HydrophobicContact CG2-SD 4.21Å; I217-M221 WeakPolarHBondContact O-CB 3.25Å; I217-M221 WeakPolarHBondContact O-CG 3.3Å; I217-M221 PolarHBondContact O-N 2.88Å; T218-M221 PolarHBondContact O-N 3.38Å; E219-M221 PolarHBondContact O-N 3.44Å; M221-E223 VanDerWaalsContact C-N 3.33Å; M221-E223 PolarHBondContact O-N 3.41Å; M221-V224 PolarHBondContact O-N 3.32Å; M221-E225 WeakPolarHBondContact O-CG 3.29Å; M221-E225 PolarHBondContact O-N 3Å |
| 222 | K | 97.8 | Very high | 97.9 | Very high | 117 Ų | 117 | 102.7 Ų | 102.7 | 51% | 0.509 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.1 | -42 | 177.8 | -175.1 | 174.4 | -175.9 | -80.6 | 0 | 112.2 | T218 E219 V224 E225 E226 | T218-K222 WeakPolarHBondContact O-CB 3.39Å; T218-K222 PolarHBondContact O-N 3.38Å; E219-K222 PolarHBondContact O-N 3.4Å; K222-V224 VanDerWaalsContact C-N 3.31Å; K222-V224 PolarHBondContact O-N 2.88Å; K222-E225 PolarHBondContact O-N 3.33Å; K222-E226 HydrophobicContact CG-CG 4.42Å; K222-E226 IonicContact NZ-OE1 2.78Å; K222-E226 PolarHBondContact NZ-OE1 3.19Å; K222-E226 WeakPolarHBondContact O-CB 3.39Å; K222-E226 VanDerWaalsContact O-CG 3.3Å; K222-E226 WeakPolarHBondContact O-CG 2.79Å; K222-E226 PolarHBondContact O-N 2.93Å |
| 223 | E | 97.8 | Very high | 97.8 | Very high | 102 Ų | 102 | 104.9 Ų | 104.9 | 48% | 0.477 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -57.2 | -42.6 | 173.2 | -91.6 | -162.6 | -132.7 | 0 | 0 | 112.7 | E219 M221 K227 | E219-E223 PolarHBondContact O-N 3.48Å; M221-E223 VanDerWaalsContact C-N 3.33Å; M221-E223 PolarHBondContact O-N 3.41Å; E223-K227 WeakPolarHBondContact O-CB 3.29Å; E223-K227 VanDerWaalsContact O-CD 3.29Å; E223-K227 WeakPolarHBondContact O-CD 3.38Å; E223-K227 WeakPolarHBondContact O-CG 3.36Å; E223-K227 PolarHBondContact O-N 2.86Å; E223-K227 IonicContact OE2-NZ 2.84Å; E223-K227 PolarHBondContact OE2-NZ 2.86Å |
| 224 | V | 97.9 | Very high | 97.8 | Very high | 72 Ų | 72 | 106.2 Ų | 106.2 | 44% | 0.436 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -71.1 | -43.1 | 179.2 | 169.8 | 0 | 0 | 0 | 0 | 111.1 | M220 M221 K222 K227 Q228 | M220-V224 WeakPolarHBondContact O-CG2 3.15Å; M220-V224 PolarHBondContact O-N 3.01Å; M221-V224 PolarHBondContact O-N 3.32Å; K222-V224 VanDerWaalsContact C-N 3.31Å; K222-V224 PolarHBondContact O-N 2.88Å; V224-K227 PolarHBondContact O-N 3.28Å; V224-Q228 HydrophobicContact CG1-CG 4.44Å; V224-Q228 VanDerWaalsContact O-CG 3.31Å; V224-Q228 WeakPolarHBondContact O-CG 3.49Å; V224-Q228 PolarHBondContact O-N 3.46Å |
| 225 | E | 96.8 | Very high | 97.8 | Very high | 107 Ų | 107 | 106.4 Ų | 106.4 | 50% | 0.5 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.6 | -47.3 | 175.2 | -72.6 | 169.3 | 179.2 | 0 | 0 | 111.3 | M221 K222 K227 Q228 Q229 | M221-E225 WeakPolarHBondContact O-CG 3.29Å; M221-E225 PolarHBondContact O-N 3Å; K222-E225 PolarHBondContact O-N 3.33Å; E225-K227 PolarHBondContact O-N 2.62Å; E225-Q228 PolarHBondContact O-N 2.76Å; E225-Q229 VanDerWaalsContact O-CB 3.29Å; E225-Q229 WeakPolarHBondContact O-CB 3.48Å; E225-Q229 PolarHBondContact O-N 2.94Å |
| 226 | E | 97.7 | Very high | 97.8 | Very high | 70 Ų | 70 | 106.6 Ų | 106.6 | 33% | 0.327 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.2 | -35.8 | 175.6 | -69.6 | 179.5 | -168.4 | 0 | 0 | 112.6 | K222 Q229 R230 | K222-E226 HydrophobicContact CG-CG 4.42Å; K222-E226 IonicContact NZ-OE1 2.78Å; K222-E226 PolarHBondContact NZ-OE1 3.19Å; K222-E226 WeakPolarHBondContact O-CB 3.39Å; K222-E226 VanDerWaalsContact O-CG 3.3Å; K222-E226 WeakPolarHBondContact O-CG 2.79Å; K222-E226 PolarHBondContact O-N 2.93Å; E226-Q229 PolarHBondContact O-N 3.48Å; E226-R230 VanDerWaalsContact O-CG 3.25Å; E226-R230 WeakPolarHBondContact O-CG 3.29Å; E226-R230 PolarHBondContact O-N 3.24Å; E226-R230 PolarHBondContact O-NH1 3.46Å; E226-R230 IonicContact OE2-CZ 3.58Å; E226-R230 IonicContact OE2-NH1 2.76Å; E226-R230 IonicContact OE2-NH2 2.79Å; E226-R230 PolarHBondContact OE2-NH2 2.9Å |
| 227 | K | 97.8 | Very high | 97.8 | Very high | 94 Ų | 94 | 104.2 Ų | 104.2 | 41% | 0.409 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.3 | -50.9 | 175.4 | -77 | 161.9 | -167.3 | 162.7 | 0 | 110.5 | E223 V224 E225 Q229 R230 E231 | E223-K227 WeakPolarHBondContact O-CB 3.29Å; E223-K227 VanDerWaalsContact O-CD 3.29Å; E223-K227 WeakPolarHBondContact O-CD 3.38Å; E223-K227 WeakPolarHBondContact O-CG 3.36Å; E223-K227 PolarHBondContact O-N 2.86Å; E223-K227 IonicContact OE2-NZ 2.84Å; E223-K227 PolarHBondContact OE2-NZ 2.86Å; V224-K227 PolarHBondContact O-N 3.28Å; E225-K227 PolarHBondContact O-N 2.62Å; K227-Q229 PolarHBondContact O-N 3.4Å; K227-R230 PolarHBondContact O-N 3.04Å; K227-E231 WeakPolarHBondContact O-CG 3.36Å; K227-E231 PolarHBondContact O-N 3.25Å |
| 228 | Q | 97.8 | Very high | 97.8 | Very high | 78 Ų | 78 | 103.9 Ų | 103.9 | 36% | 0.364 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.1 | -35.6 | 174.7 | -68.1 | 177 | 14.3 | 0 | 0 | 112.3 | V224 E225 E231 R232 | V224-Q228 HydrophobicContact CG1-CG 4.44Å; V224-Q228 VanDerWaalsContact O-CG 3.31Å; V224-Q228 WeakPolarHBondContact O-CG 3.49Å; V224-Q228 PolarHBondContact O-N 3.46Å; E225-Q228 PolarHBondContact O-N 2.76Å; Q228-E231 PolarHBondContact O-N 2.85Å; Q228-R232 WeakPolarHBondContact O-CB 3.36Å; Q228-R232 WeakPolarHBondContact O-CG 3.31Å; Q228-R232 PolarHBondContact O-N 3.05Å |
| 229 | Q | 97.6 | Very high | 97.7 | Very high | 85 Ų | 85 | 102.7 Ų | 102.7 | 40% | 0.397 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -67.4 | -45.8 | 177.9 | -175.1 | 58 | 21.7 | 0 | 0 | 111.8 | E225 E226 K227 E231 R232 E233 | E225-Q229 VanDerWaalsContact O-CB 3.29Å; E225-Q229 WeakPolarHBondContact O-CB 3.48Å; E225-Q229 PolarHBondContact O-N 2.94Å; E226-Q229 PolarHBondContact O-N 3.48Å; K227-Q229 PolarHBondContact O-N 3.4Å; Q229-E231 VanDerWaalsContact C-N 3.3Å; Q229-E231 PolarHBondContact O-N 2.92Å; Q229-R232 PolarHBondContact O-N 2.98Å; Q229-E233 WeakPolarHBondContact CG-OE1 3.2Å; Q229-E233 PolarHBondContact NE2-OE1 3.39Å; Q229-E233 WeakPolarHBondContact O-CB 3.47Å; Q229-E233 WeakPolarHBondContact O-CG 3.33Å; Q229-E233 PolarHBondContact O-N 3.45Å |
| 230 | R | 97.8 | Very high | 97.7 | Very high | 133 Ų | 133 | 99.4 Ų | 99.4 | 50% | 0.502 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59.3 | -40.6 | 173.1 | -67.3 | 168.3 | -166.3 | 110.8 | -0.4 | 111.9 | E226 K227 E233 F234 | E226-R230 VanDerWaalsContact O-CG 3.25Å; E226-R230 WeakPolarHBondContact O-CG 3.29Å; E226-R230 PolarHBondContact O-N 3.24Å; E226-R230 PolarHBondContact O-NH1 3.46Å; E226-R230 IonicContact OE2-CZ 3.58Å; E226-R230 IonicContact OE2-NH1 2.76Å; E226-R230 IonicContact OE2-NH2 2.79Å; E226-R230 PolarHBondContact OE2-NH2 2.9Å; K227-R230 PolarHBondContact O-N 3.04Å; R230-E233 PolarHBondContact O-N 2.78Å; R230-F234 VanDerWaalsContact O-CB 3.32Å; R230-F234 WeakPolarHBondContact O-CB 3.42Å; R230-F234 PolarHBondContact O-N 3.29Å |
| 231 | E | 97.3 | Very high | 97.7 | Very high | 119 Ų | 119 | 99.2 Ų | 99.2 | 56% | 0.556 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -64.7 | -44.5 | 176.5 | -72.5 | 165.2 | -166.9 | 0 | 0 | 112.1 | K227 Q228 Q229 F234 L235 | K227-E231 WeakPolarHBondContact O-CG 3.36Å; K227-E231 PolarHBondContact O-N 3.25Å; Q228-E231 PolarHBondContact O-N 2.85Å; Q229-E231 VanDerWaalsContact C-N 3.3Å; Q229-E231 PolarHBondContact O-N 2.92Å; E231-F234 PolarHBondContact O-N 3Å; E231-L235 WeakPolarHBondContact O-CB 3.39Å; E231-L235 WeakPolarHBondContact O-CG 3.32Å; E231-L235 PolarHBondContact O-N 3.36Å |
| 232 | R | 98.1 | Very high | 97.7 | Very high | 130 Ų | 130 | 97.3 Ų | 97.3 | 49% | 0.491 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.5 | -45.5 | 174.4 | -73.3 | 167 | -170.3 | 125.7 | 8.9 | 111.8 | Q228 Q229 L236 | Q228-R232 WeakPolarHBondContact O-CB 3.36Å; Q228-R232 WeakPolarHBondContact O-CG 3.31Å; Q228-R232 PolarHBondContact O-N 3.05Å; Q229-R232 PolarHBondContact O-N 2.98Å; R232-L236 WeakPolarHBondContact O-CB 3.21Å; R232-L236 PolarHBondContact O-N 2.94Å |
| 233 | E | 97.6 | Very high | 97.6 | Very high | 107 Ų | 107 | 98.6 Ų | 98.6 | 50% | 0.5 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.5 | -41.5 | 178.4 | -74 | 169.2 | -169.9 | 0 | 0 | 111.9 | Q229 R230 K237 | Q229-E233 WeakPolarHBondContact CG-OE1 3.2Å; Q229-E233 PolarHBondContact NE2-OE1 3.39Å; Q229-E233 WeakPolarHBondContact O-CB 3.47Å; Q229-E233 WeakPolarHBondContact O-CG 3.33Å; Q229-E233 PolarHBondContact O-N 3.45Å; R230-E233 PolarHBondContact O-N 2.78Å; E233-K237 WeakPolarHBondContact O-CB 3.46Å; E233-K237 PolarHBondContact O-N 2.94Å |
| 234 | F | 97.9 | Very high | 97.6 | Very high | 139 Ų | 139 | 101.5 Ų | 101.5 | 61% | 0.61 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -63.2 | -50 | 175.4 | 179.2 | -93.6 | 0 | 0 | 0 | 112.2 | R230 E231 L236 K237 D238 | R230-F234 VanDerWaalsContact O-CB 3.32Å; R230-F234 WeakPolarHBondContact O-CB 3.42Å; R230-F234 PolarHBondContact O-N 3.29Å; E231-F234 PolarHBondContact O-N 3Å; F234-L236 PolarHBondContact O-N 3.22Å; F234-K237 WeakPolarHBondContact O-CB 3.33Å; F234-K237 PolarHBondContact O-N 2.9Å; F234-D238 PolarHBondContact O-N 2.95Å |
| 235 | L | 98.2 | Very high | 97.6 | Very high | 112 Ų | 112 | 104.9 Ų | 104.9 | 59% | 0.586 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -65.3 | -38.1 | 179.3 | -70.3 | 171.8 | 0 | 0 | 0 | 112.2 | E231 A239 | E231-L235 WeakPolarHBondContact O-CB 3.39Å; E231-L235 WeakPolarHBondContact O-CG 3.32Å; E231-L235 PolarHBondContact O-N 3.36Å; L235-A239 VanDerWaalsContact O-CB 3.24Å; L235-A239 WeakPolarHBondContact O-CB 3.49Å; L235-A239 PolarHBondContact O-N 3.4Å |
| 236 | L | 98.1 | Very high | 97.6 | Very high | 117 Ų | 117 | 103 Ų | 103 | 61% | 0.613 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -62.8 | -43.9 | 173.4 | 178.9 | 60.8 | 0 | 0 | 0 | 111 | R232 F234 T240 | R232-L236 WeakPolarHBondContact O-CB 3.21Å; R232-L236 PolarHBondContact O-N 2.94Å; F234-L236 PolarHBondContact O-N 3.22Å; L236-T240 HydrophobicContact CD1-CG2 4.36Å; L236-T240 VanDerWaalsContact O-CG2 3.29Å; L236-T240 WeakPolarHBondContact O-CG2 3.29Å; L236-T240 PolarHBondContact O-N 3.35Å; L236-T240 PolarHBondContact O-OG1 2.96Å |
| 237 | K | 98 | Very high | 97.6 | Very high | 119 Ų | 119 | 103.9 Ų | 103.9 | 52% | 0.517 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.9 | -56.1 | 176.8 | -178 | -178.1 | 172.3 | -175.6 | 0 | 111.1 | E233 F234 A239 T240 E241 | E233-K237 WeakPolarHBondContact O-CB 3.46Å; E233-K237 PolarHBondContact O-N 2.94Å; F234-K237 WeakPolarHBondContact O-CB 3.33Å; F234-K237 PolarHBondContact O-N 2.9Å; K237-A239 VanDerWaalsContact C-N 3.33Å; K237-A239 PolarHBondContact O-N 3.48Å; K237-T240 PolarHBondContact O-N 3.48Å; K237-T240 PolarHBondContact O-OG1 2.96Å; K237-E241 WeakPolarHBondContact CE-OE1 3.45Å; K237-E241 HydrophobicContact CG-CG 4.48Å; K237-E241 IonicContact NZ-OE1 2.76Å; K237-E241 PolarHBondContact O-N 2.95Å |
| 238 | D | 97.8 | Very high | 97.6 | Very high | 91 Ų | 91 | 103.7 Ų | 103.7 | 49% | 0.487 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -56.1 | -45.5 | -179.9 | -178.6 | 70.2 | 0 | 0 | 0 | 111.8 | F234 T240 E241 S242 | F234-D238 PolarHBondContact O-N 2.95Å; D238-T240 VanDerWaalsContact C-N 3.31Å; D238-T240 PolarHBondContact O-N 3.29Å; D238-E241 PolarHBondContact O-N 3.32Å; D238-S242 WeakPolarHBondContact O-CB 3.23Å; D238-S242 PolarHBondContact O-N 3.08Å |
| 239 | A | 97.3 | Very high | 97.6 | Very high | 54 Ų | 54 | 105 Ų | 105 | 45% | 0.446 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.6 | -37.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | L235 K237 R243 | L235-A239 VanDerWaalsContact O-CB 3.24Å; L235-A239 WeakPolarHBondContact O-CB 3.49Å; L235-A239 PolarHBondContact O-N 3.4Å; K237-A239 VanDerWaalsContact C-N 3.33Å; K237-A239 PolarHBondContact O-N 3.48Å; A239-R243 VanDerWaalsContact O-CB 3.23Å; A239-R243 WeakPolarHBondContact O-CB 3.47Å; A239-R243 PolarHBondContact O-N 2.91Å |
| 240 | T | 97.6 | Very high | 97.5 | Very high | 32 Ų | 32 | 107.6 Ų | 107.6 | 20% | 0.196 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -75.2 | -32 | 176.7 | 64 | 0 | 0 | 0 | 0 | 113.9 | L236 K237 D238 R244 | L236-T240 HydrophobicContact CD1-CG2 4.36Å; L236-T240 VanDerWaalsContact O-CG2 3.29Å; L236-T240 WeakPolarHBondContact O-CG2 3.29Å; L236-T240 PolarHBondContact O-N 3.35Å; L236-T240 PolarHBondContact O-OG1 2.96Å; K237-T240 PolarHBondContact O-N 3.48Å; K237-T240 PolarHBondContact O-OG1 2.96Å; D238-T240 VanDerWaalsContact C-N 3.31Å; D238-T240 PolarHBondContact O-N 3.29Å; T240-R244 WeakPolarHBondContact O-CG 3.22Å; T240-R244 PolarHBondContact O-N 3.48Å; T240-R244 VanDerWaalsContact O-N 3.08Å |
| 241 | E | 97.6 | Very high | 97.5 | Very high | 102 Ų | 102 | 106.8 Ų | 106.8 | 48% | 0.477 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -74.7 | -43.6 | 176.4 | -70.6 | -177.9 | 177.6 | 0 | 0 | 111 | K237 D238 R243 R244 K245 | K237-E241 WeakPolarHBondContact CE-OE1 3.45Å; K237-E241 HydrophobicContact CG-CG 4.48Å; K237-E241 IonicContact NZ-OE1 2.76Å; K237-E241 PolarHBondContact O-N 2.95Å; D238-E241 PolarHBondContact O-N 3.32Å; E241-R243 PolarHBondContact O-N 3.3Å; E241-R244 PolarHBondContact O-N 3.21Å; E241-K245 PolarHBondContact O-N 3Å |
| 242 | S | 96.4 | Very high | 97.5 | Very high | 64 Ų | 64 | 105.2 Ų | 105.2 | 45% | 0.448 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.7 | -44.2 | 171.1 | -176.3 | 0 | 0 | 0 | 0 | 111.8 | D238 K245 C246 | D238-S242 WeakPolarHBondContact O-CB 3.23Å; D238-S242 PolarHBondContact O-N 3.08Å; S242-K245 PolarHBondContact O-N 2.82Å; S242-C246 PolarHBondContact O-N 3.05Å; S242-C246 PolarHBondContact O-SG 3.31Å; S242-C246 VanDerWaalsContact O-SG 3.35Å |
| 243 | R | 97.4 | Very high | 97.5 | Very high | 144 Ų | 144 | 103.7 Ų | 103.7 | 54% | 0.543 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.6 | -48.2 | 174.5 | -173.9 | 176.8 | 67.8 | -138.3 | -1.5 | 112.2 | A239 E241 K245 C246 E247 | A239-R243 VanDerWaalsContact O-CB 3.23Å; A239-R243 WeakPolarHBondContact O-CB 3.47Å; A239-R243 PolarHBondContact O-N 2.91Å; E241-R243 PolarHBondContact O-N 3.3Å; R243-K245 VanDerWaalsContact C-N 3.29Å; R243-K245 PolarHBondContact O-N 2.99Å; R243-C246 WeakPolarHBondContact O-CB 3.37Å; R243-C246 PolarHBondContact O-N 3.35Å; R243-C246 VanDerWaalsContact O-N 3.1Å; R243-E247 WeakPolarHBondContact CD-OE1 3.47Å; R243-E247 HydrophobicContact CG-CG 4.41Å; R243-E247 VanDerWaalsContact CG-OE1 3.3Å; R243-E247 WeakPolarHBondContact CG-OE1 3.41Å; R243-E247 IonicContact NE-OE1 3.54Å; R243-E247 WeakPolarHBondContact O-CG 3.3Å; R243-E247 PolarHBondContact O-N 3.49Å |
| 244 | R | 98 | Very high | 97.5 | Very high | 163 Ų | 163 | 101.3 Ų | 101.3 | 62% | 0.615 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -58.3 | -39.3 | 176 | -81.4 | -173 | 176.3 | 105.3 | -5.3 | 112.9 | T240 E241 C246 E247 L248 | T240-R244 WeakPolarHBondContact O-CG 3.22Å; T240-R244 PolarHBondContact O-N 3.48Å; T240-R244 VanDerWaalsContact O-N 3.08Å; E241-R244 PolarHBondContact O-N 3.21Å; R244-C246 VanDerWaalsContact C-N 3.35Å; R244-E247 WeakPolarHBondContact CA-OE2 3.33Å; R244-E247 PolarHBondContact O-N 3.04Å; R244-L248 WeakPolarHBondContact O-CB 3.24Å; R244-L248 PolarHBondContact O-N 3.31Å |
| 245 | K | 97.6 | Very high | 97.4 | Very high | 142 Ų | 142 | 100.4 Ų | 100.4 | 62% | 0.617 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.6 | -39.7 | 176 | -171 | 177.7 | 180 | -179.1 | 0 | 111.8 | E241 S242 R243 M249 | E241-K245 PolarHBondContact O-N 3Å; S242-K245 PolarHBondContact O-N 2.82Å; R243-K245 VanDerWaalsContact C-N 3.29Å; R243-K245 PolarHBondContact O-N 2.99Å; K245-M249 WeakPolarHBondContact O-CB 3.42Å; K245-M249 VanDerWaalsContact O-CG 3.23Å; K245-M249 WeakPolarHBondContact O-CG 3.23Å; K245-M249 PolarHBondContact O-N 3.1Å |
| 246 | C | 96.4 | Very high | 97.4 | Very high | 69 Ų | 69 | 100 Ų | 100 | 47% | 0.466 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68.3 | -35.7 | 173.9 | -69.1 | 0 | 0 | 0 | 0 | 113 | S242 R243 R244 K250 | S242-C246 PolarHBondContact O-N 3.05Å; S242-C246 PolarHBondContact O-SG 3.31Å; S242-C246 VanDerWaalsContact O-SG 3.35Å; R243-C246 WeakPolarHBondContact O-CB 3.37Å; R243-C246 PolarHBondContact O-N 3.35Å; R243-C246 VanDerWaalsContact O-N 3.1Å; R244-C246 VanDerWaalsContact C-N 3.35Å; C246-K250 WeakPolarHBondContact O-CG 3.38Å; C246-K250 PolarHBondContact O-N 3.03Å; C246-K250 VanDerWaalsContact O-N 3.16Å |
| 247 | E | 97.1 | Very high | 97.3 | Very high | 88 Ų | 88 | 100.2 Ų | 100.2 | 41% | 0.411 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.7 | -51.9 | 174.2 | -71.9 | 159.7 | 171 | 0 | 0 | 110.4 | R243 R244 M249 K250 E251 | R243-E247 WeakPolarHBondContact CD-OE1 3.47Å; R243-E247 HydrophobicContact CG-CG 4.41Å; R243-E247 VanDerWaalsContact CG-OE1 3.3Å; R243-E247 WeakPolarHBondContact CG-OE1 3.41Å; R243-E247 IonicContact NE-OE1 3.54Å; R243-E247 WeakPolarHBondContact O-CG 3.3Å; R243-E247 PolarHBondContact O-N 3.49Å; R244-E247 WeakPolarHBondContact CA-OE2 3.33Å; R244-E247 PolarHBondContact O-N 3.04Å; E247-M249 VanDerWaalsContact C-N 3.34Å; E247-M249 PolarHBondContact O-N 3.35Å; E247-K250 WeakPolarHBondContact O-CB 3.48Å; E247-K250 PolarHBondContact O-N 3.05Å; E247-K250 VanDerWaalsContact O-N 3.12Å; E247-E251 PolarHBondContact O-N 3.12Å |
| 248 | L | 97.9 | Very high | 97.3 | Very high | 90 Ų | 90 | 100.5 Ų | 100.5 | 47% | 0.471 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58.8 | -40.5 | 176.5 | -179.5 | 64.6 | 0 | 0 | 0 | 113.1 | R244 K250 E251 Q252 | R244-L248 WeakPolarHBondContact O-CB 3.24Å; R244-L248 PolarHBondContact O-N 3.31Å; L248-K250 VanDerWaalsContact C-N 3.34Å; L248-K250 PolarHBondContact O-N 2.88Å; L248-E251 PolarHBondContact O-N 3.16Å; L248-Q252 WeakPolarHBondContact O-CG 3.3Å; L248-Q252 PolarHBondContact O-N 3.01Å |
| 249 | M | 96.9 | Very high | 97.3 | Very high | 105 Ų | 105 | 100.7 Ų | 100.7 | 52% | 0.517 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65 | -36.4 | 176.9 | -75.7 | -74 | 173.9 | 0 | 0 | 112.3 | K245 E247 Q252 E253 | K245-M249 WeakPolarHBondContact O-CB 3.42Å; K245-M249 VanDerWaalsContact O-CG 3.23Å; K245-M249 WeakPolarHBondContact O-CG 3.23Å; K245-M249 PolarHBondContact O-N 3.1Å; E247-M249 VanDerWaalsContact C-N 3.34Å; E247-M249 PolarHBondContact O-N 3.35Å; M249-Q252 PolarHBondContact O-N 2.93Å; M249-E253 WeakPolarHBondContact O-CB 3.33Å; M249-E253 PolarHBondContact O-N 3.33Å |
| 250 | K | 97.5 | Very high | 97.2 | Very high | 140 Ų | 140 | 103.8 Ų | 103.8 | 61% | 0.609 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -68.8 | -36 | 174.3 | -73.7 | 171.6 | 178.5 | -178.5 | 0 | 112.4 | C246 E247 L248 E253 S254 | C246-K250 WeakPolarHBondContact O-CG 3.38Å; C246-K250 PolarHBondContact O-N 3.03Å; C246-K250 VanDerWaalsContact O-N 3.16Å; E247-K250 WeakPolarHBondContact O-CB 3.48Å; E247-K250 PolarHBondContact O-N 3.05Å; E247-K250 VanDerWaalsContact O-N 3.12Å; L248-K250 VanDerWaalsContact C-N 3.34Å; L248-K250 PolarHBondContact O-N 2.88Å; K250-E253 PolarHBondContact O-N 2.95Å; K250-S254 WeakPolarHBondContact O-CB 3.47Å; K250-S254 PolarHBondContact O-N 3.5Å |
| 251 | E | 97.5 | Very high | 97.1 | Very high | 115 Ų | 115 | 104.8 Ų | 104.8 | 54% | 0.537 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.3 | -44.8 | 173.4 | -69.8 | 175.4 | 175.1 | 0 | 0 | 111.1 | E247 L248 S254 Q255 | E247-E251 PolarHBondContact O-N 3.12Å; L248-E251 PolarHBondContact O-N 3.16Å; E251-S254 WeakPolarHBondContact O-CB 3.38Å; E251-S254 PolarHBondContact O-N 3.33Å; E251-Q255 VanDerWaalsContact O-CG 3.3Å; E251-Q255 WeakPolarHBondContact O-CG 3.37Å; E251-Q255 PolarHBondContact O-N 3.47Å |
| 252 | Q | 97.4 | Very high | 97.1 | Very high | 86 Ų | 86 | 104 Ų | 104 | 40% | 0.402 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.8 | -43 | 174.8 | -69.8 | 176.3 | -0.3 | 0 | 0 | 112.4 | L248 M249 S254 Q255 L256 | L248-Q252 WeakPolarHBondContact O-CG 3.3Å; L248-Q252 PolarHBondContact O-N 3.01Å; M249-Q252 PolarHBondContact O-N 2.93Å; Q252-S254 VanDerWaalsContact C-N 3.31Å; Q252-S254 PolarHBondContact O-N 2.95Å; Q252-Q255 PolarHBondContact O-N 2.89Å; Q252-L256 WeakPolarHBondContact O-CG 3.44Å; Q252-L256 PolarHBondContact O-N 3.01Å |
| 253 | E | 96.6 | Very high | 97.1 | Very high | 98 Ų | 98 | 107.3 Ų | 107.3 | 46% | 0.458 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.4 | -41.9 | 174.4 | -169.1 | -163.2 | 151.1 | 0 | 0 | 111.6 | M249 K250 L256 K257 | M249-E253 WeakPolarHBondContact O-CB 3.33Å; M249-E253 PolarHBondContact O-N 3.33Å; K250-E253 PolarHBondContact O-N 2.95Å; E253-L256 PolarHBondContact O-N 3.27Å; E253-K257 HydrophobicContact CG-CD 4.37Å; E253-K257 WeakPolarHBondContact O-CB 3.47Å; E253-K257 WeakPolarHBondContact O-CG 3.33Å; E253-K257 PolarHBondContact O-N 3.49Å; E253-K257 WeakPolarHBondContact OE1-CE 3.21Å; E253-K257 IonicContact OE1-NZ 3.91Å; E253-K257 PolarHBondContact OE1-NZ 3.06Å |
| 254 | S | 97.3 | Very high | 97.1 | Very high | 57 Ų | 57 | 105.3 Ų | 105.3 | 40% | 0.399 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.6 | -45.6 | 176.6 | -169.7 | 0 | 0 | 0 | 0 | 111.9 | K250 E251 Q252 L256 K257 Q258 | K250-S254 WeakPolarHBondContact O-CB 3.47Å; K250-S254 PolarHBondContact O-N 3.5Å; E251-S254 WeakPolarHBondContact O-CB 3.38Å; E251-S254 PolarHBondContact O-N 3.33Å; Q252-S254 VanDerWaalsContact C-N 3.31Å; Q252-S254 PolarHBondContact O-N 2.95Å; S254-L256 PolarHBondContact O-N 3.43Å; S254-K257 PolarHBondContact O-N 3.31Å; S254-Q258 WeakPolarHBondContact O-CG 3.45Å; S254-Q258 PolarHBondContact O-N 2.93Å |
| 255 | Q | 97.6 | Very high | 97 | Very high | 120 Ų | 120 | 101.1 Ų | 101.1 | 56% | 0.561 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.3 | -43.5 | 176.3 | -71.5 | 167.9 | 11.9 | 0 | 0 | 112 | E251 Q252 Q258 Q259 | E251-Q255 VanDerWaalsContact O-CG 3.3Å; E251-Q255 WeakPolarHBondContact O-CG 3.37Å; E251-Q255 PolarHBondContact O-N 3.47Å; Q252-Q255 PolarHBondContact O-N 2.89Å; Q255-Q258 PolarHBondContact O-N 3.44Å; Q255-Q259 PolarHBondContact O-N 3.4Å |
| 256 | L | 97.3 | Very high | 96.9 | Very high | 103 Ų | 103 | 98.8 Ų | 98.8 | 54% | 0.539 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.3 | -37.1 | 176.5 | -71.1 | 171.6 | 0 | 0 | 0 | 112.2 | Q252 E253 S254 Q259 L260 | Q252-L256 WeakPolarHBondContact O-CG 3.44Å; Q252-L256 PolarHBondContact O-N 3.01Å; E253-L256 PolarHBondContact O-N 3.27Å; S254-L256 PolarHBondContact O-N 3.43Å; L256-Q259 PolarHBondContact O-N 3.35Å; L256-L260 WeakPolarHBondContact O-CB 3.34Å; L256-L260 WeakPolarHBondContact O-CG 3.44Å; L256-L260 PolarHBondContact O-N 2.98Å |
| 257 | K | 97.1 | Very high | 96.9 | Very high | 122 Ų | 122 | 101.5 Ų | 101.5 | 53% | 0.53 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.7 | -41.4 | 172.9 | -78.5 | 171 | 170.4 | 175.5 | 0 | 112.5 | E253 S254 L260 S261 | E253-K257 HydrophobicContact CG-CD 4.37Å; E253-K257 WeakPolarHBondContact O-CB 3.47Å; E253-K257 WeakPolarHBondContact O-CG 3.33Å; E253-K257 PolarHBondContact O-N 3.49Å; E253-K257 WeakPolarHBondContact OE1-CE 3.21Å; E253-K257 IonicContact OE1-NZ 3.91Å; E253-K257 PolarHBondContact OE1-NZ 3.06Å; S254-K257 PolarHBondContact O-N 3.31Å; K257-L260 PolarHBondContact O-N 2.61Å; K257-S261 PolarHBondContact O-N 2.93Å |
| 258 | Q | 97.3 | Very high | 96.7 | Very high | 126 Ų | 126 | 103 Ų | 103 | 59% | 0.589 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.4 | -42.2 | 173.3 | -70.3 | 169.6 | 9.7 | 0 | 0 | 111.5 | S254 Q255 S261 L262 | S254-Q258 WeakPolarHBondContact O-CG 3.45Å; S254-Q258 PolarHBondContact O-N 2.93Å; Q255-Q258 PolarHBondContact O-N 3.44Å; Q258-S261 PolarHBondContact O-N 3.37Å; Q258-L262 WeakPolarHBondContact O-CB 3.34Å; Q258-L262 PolarHBondContact O-N 2.88Å |
| 259 | Q | 96.5 | Very high | 96.6 | Very high | 94 Ų | 94 | 104.7 Ų | 104.7 | 44% | 0.439 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.4 | -39.9 | 176.4 | -169.1 | -178.9 | 21 | 0 | 0 | 112.4 | Q255 L256 L262 Y263 | Q255-Q259 PolarHBondContact O-N 3.4Å; L256-Q259 PolarHBondContact O-N 3.35Å; Q259-L262 PolarHBondContact O-N 3.3Å; Q259-Y263 HydrophobicContact CG-CD2 3.93Å; Q259-Y263 HydrophobicContact CG-CE2 3.62Å; Q259-Y263 WeakPolarHBondContact O-CD2 3.37Å; Q259-Y263 PolarHBondContact O-N 2.97Å |
| 260 | L | 95.7 | Very high | 96.5 | Very high | 119 Ų | 119 | 106.8 Ų | 106.8 | 62% | 0.623 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.9 | -42.9 | 174.7 | -77.1 | 168.2 | 0 | 0 | 0 | 111.9 | L256 K257 Y263 M264 | L256-L260 WeakPolarHBondContact O-CB 3.34Å; L256-L260 WeakPolarHBondContact O-CG 3.44Å; L256-L260 PolarHBondContact O-N 2.98Å; K257-L260 PolarHBondContact O-N 2.61Å; L260-Y263 PolarHBondContact O-N 3.45Å; L260-M264 WeakPolarHBondContact O-CB 3.08Å; L260-M264 PolarHBondContact O-N 2.99Å |
| 261 | S | 96.6 | Very high | 96.3 | Very high | 54 Ų | 54 | 104.6 Ų | 104.6 | 38% | 0.378 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -57.3 | -52.3 | 172.6 | -161.1 | 0 | 0 | 0 | 0 | 110.5 | K257 Q258 Y263 M264 D265 | K257-S261 PolarHBondContact O-N 2.93Å; Q258-S261 PolarHBondContact O-N 3.37Å; S261-Y263 PolarHBondContact O-N 3.4Å; S261-Y263 VanDerWaalsContact O-N 3.1Å; S261-M264 CarbonylContact O-C 3.6Å; S261-M264 WeakPolarHBondContact O-CA 3.27Å; S261-M264 VanDerWaalsContact O-CB 3.31Å; S261-M264 WeakPolarHBondContact O-CB 3.42Å; S261-M264 PolarHBondContact O-N 2.94Å; S261-D265 PolarHBondContact O-N 2.94Å |
| 262 | L | 97.3 | Very high | 96.1 | Very high | 84 Ų | 84 | 101.5 Ų | 101.5 | 44% | 0.44 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.4 | -27.9 | -179.8 | -178.3 | 150.4 | 0 | 0 | 0 | 113.8 | Q258 Q259 K266 | Q258-L262 WeakPolarHBondContact O-CB 3.34Å; Q258-L262 PolarHBondContact O-N 2.88Å; Q259-L262 PolarHBondContact O-N 3.3Å; L262-K266 HydrophobicContact CD2-CD 4.15Å; L262-K266 WeakPolarHBondContact O-CD 3.45Å; L262-K266 VanDerWaalsContact O-CG 3.27Å; L262-K266 WeakPolarHBondContact O-CG 3.31Å; L262-K266 PolarHBondContact O-N 2.91Å |
| 263 | Y | 97 | Very high | 96 | Very high | 135 Ų | 135 | 101.5 Ų | 101.5 | 53% | 0.529 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -81.6 | -32 | 171.2 | -76.7 | -55.7 | 0 | 0 | 0 | 113.6 | Q259 L260 S261 F267 | Q259-Y263 HydrophobicContact CG-CD2 3.93Å; Q259-Y263 HydrophobicContact CG-CE2 3.62Å; Q259-Y263 WeakPolarHBondContact O-CD2 3.37Å; Q259-Y263 PolarHBondContact O-N 2.97Å; L260-Y263 PolarHBondContact O-N 3.45Å; S261-Y263 PolarHBondContact O-N 3.4Å; S261-Y263 VanDerWaalsContact O-N 3.1Å; Y263-F267 WeakPolarHBondContact O-CB 3.44Å; Y263-F267 PolarHBondContact O-N 2.74Å |
| 264 | M | 96.2 | Very high | 95.8 | Very high | 101 Ų | 101 | 101.3 Ų | 101.3 | 50% | 0.498 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.9 | -50.7 | 172.6 | -172.5 | -178.1 | 78.6 | 0 | 0 | 110.4 | L260 S261 K266 F267 E268 | L260-M264 WeakPolarHBondContact O-CB 3.08Å; L260-M264 PolarHBondContact O-N 2.99Å; S261-M264 CarbonylContact O-C 3.6Å; S261-M264 WeakPolarHBondContact O-CA 3.27Å; S261-M264 VanDerWaalsContact O-CB 3.31Å; S261-M264 WeakPolarHBondContact O-CB 3.42Å; S261-M264 PolarHBondContact O-N 2.94Å; M264-K266 VanDerWaalsContact C-N 3.3Å; M264-K266 PolarHBondContact O-N 3.1Å; M264-F267 WeakPolarHBondContact O-CA 3.39Å; M264-F267 WeakPolarHBondContact O-CB 3.34Å; M264-F267 PolarHBondContact O-N 2.94Å; M264-E268 PolarHBondContact O-N 3.48Å |
| 265 | D | 95.8 | Very high | 95.6 | Very high | 75 Ų | 75 | 101.2 Ų | 101.2 | 40% | 0.401 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -53.1 | -47.8 | 176.7 | -50.1 | -25.7 | 0 | 0 | 0 | 110.5 | S261 F267 E268 E269 | S261-D265 PolarHBondContact O-N 2.94Å; D265-F267 PolarHBondContact O-N 2.82Å; D265-E268 PolarHBondContact O-N 2.89Å; D265-E269 WeakPolarHBondContact O-CG 3.41Å; D265-E269 PolarHBondContact O-N 3.44Å |
| 266 | K | 96.3 | Very high | 95.4 | Very high | 93 Ų | 93 | 101.2 Ų | 101.2 | 40% | 0.404 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.7 | -34.9 | 175.2 | -75.9 | 175.9 | -178.9 | -178.5 | 0 | 113.8 | L262 M264 E268 E269 F270 | L262-K266 HydrophobicContact CD2-CD 4.15Å; L262-K266 WeakPolarHBondContact O-CD 3.45Å; L262-K266 VanDerWaalsContact O-CG 3.27Å; L262-K266 WeakPolarHBondContact O-CG 3.31Å; L262-K266 PolarHBondContact O-N 2.91Å; M264-K266 VanDerWaalsContact C-N 3.3Å; M264-K266 PolarHBondContact O-N 3.1Å; K266-E268 VanDerWaalsContact C-N 3.34Å; K266-E269 PolarHBondContact O-N 3.26Å; K266-F270 WeakPolarHBondContact O-CD2 3.43Å; K266-F270 PolarHBondContact O-N 3.27Å |
| 267 | F | 95.3 | Very high | 95.2 | Very high | 127 Ų | 127 | 98.9 Ų | 98.9 | 56% | 0.557 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -69.3 | -36.1 | 176.3 | -173.9 | -99.2 | 0 | 0 | 0 | 111 | Y263 M264 D265 F270 Q271 | Y263-F267 WeakPolarHBondContact O-CB 3.44Å; Y263-F267 PolarHBondContact O-N 2.74Å; M264-F267 WeakPolarHBondContact O-CA 3.39Å; M264-F267 WeakPolarHBondContact O-CB 3.34Å; M264-F267 PolarHBondContact O-N 2.94Å; D265-F267 PolarHBondContact O-N 2.82Å; F267-F270 PolarHBondContact O-N 2.86Å; F267-Q271 HydrophobicContact CD1-CG 4.02Å; F267-Q271 HydrophobicContact CE1-CG 3.67Å; F267-Q271 HydrophobicContact CZ-CG 3.99Å; F267-Q271 WeakPolarHBondContact O-CB 3.47Å; F267-Q271 VanDerWaalsContact O-CG 3.3Å; F267-Q271 WeakPolarHBondContact O-CG 3.27Å; F267-Q271 PolarHBondContact O-N 3.39Å |
| 268 | E | 94.7 | Very high | 95 | Very high | 118 Ų | 118 | 97.1 Ų | 97.1 | 55% | 0.551 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -67 | -40.4 | 171.6 | -67.7 | -179.6 | -164.3 | 0 | 0 | 111.9 | M264 D265 K266 F270 Q271 S272 | M264-E268 PolarHBondContact O-N 3.48Å; D265-E268 PolarHBondContact O-N 2.89Å; K266-E268 VanDerWaalsContact C-N 3.34Å; E268-F270 PolarHBondContact O-N 2.83Å; E268-Q271 PolarHBondContact O-N 2.82Å; E268-S272 VanDerWaalsContact O-CB 3.25Å; E268-S272 WeakPolarHBondContact O-CB 3.31Å; E268-S272 PolarHBondContact O-N 2.91Å |
| 269 | E | 94.4 | Very high | 94.8 | Very high | 126 Ų | 126 | 97.1 Ų | 97.1 | 59% | 0.589 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -57.6 | -47 | 169.8 | -72.1 | 178.7 | 157.7 | 0 | 0 | 111.9 | D265 K266 S272 T273 | D265-E269 WeakPolarHBondContact O-CG 3.41Å; D265-E269 PolarHBondContact O-N 3.44Å; K266-E269 PolarHBondContact O-N 3.26Å; E269-S272 PolarHBondContact O-N 3.45Å; E269-T273 WeakPolarHBondContact O-CB 3.24Å; E269-T273 PolarHBondContact O-N 3.38Å; E269-T273 PolarHBondContact O-OG1 3.31Å |
| 270 | F | 94.7 | Very high | 94.7 | Very high | 149 Ų | 149 | 96.1 Ų | 96.1 | 65% | 0.654 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64.3 | -44 | 177.1 | -81 | -58.5 | 0 | 0 | 0 | 112.2 | K266 F267 E268 T273 L274 | K266-F270 WeakPolarHBondContact O-CD2 3.43Å; K266-F270 PolarHBondContact O-N 3.27Å; F267-F270 PolarHBondContact O-N 2.86Å; E268-F270 PolarHBondContact O-N 2.83Å; F270-T273 PolarHBondContact O-N 2.85Å; F270-L274 VanDerWaalsContact O-CB 3.27Å; F270-L274 WeakPolarHBondContact O-CB 3.3Å; F270-L274 PolarHBondContact O-N 3.5Å |
| 271 | Q | 93.4 | Very high | 94.5 | Very high | 94 Ų | 94 | 96.9 Ų | 96.9 | 44% | 0.439 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.1 | -42.1 | 177 | -74.9 | -75.8 | 28 | 0 | 0 | 111.9 | F267 E268 T273 L274 A275 | F267-Q271 HydrophobicContact CD1-CG 4.02Å; F267-Q271 HydrophobicContact CE1-CG 3.67Å; F267-Q271 HydrophobicContact CZ-CG 3.99Å; F267-Q271 WeakPolarHBondContact O-CB 3.47Å; F267-Q271 VanDerWaalsContact O-CG 3.3Å; F267-Q271 WeakPolarHBondContact O-CG 3.27Å; F267-Q271 PolarHBondContact O-N 3.39Å; E268-Q271 PolarHBondContact O-N 2.82Å; Q271-T273 VanDerWaalsContact C-N 3.3Å; Q271-T273 PolarHBondContact O-N 3.42Å; Q271-L274 PolarHBondContact O-N 3.09Å; Q271-A275 VanDerWaalsContact O-CB 3.32Å; Q271-A275 WeakPolarHBondContact O-CB 3.45Å; Q271-A275 PolarHBondContact O-N 3.25Å |
| 272 | S | 94.2 | Very high | 94.2 | Very high | 51 Ų | 51 | 97.7 Ų | 97.7 | 36% | 0.357 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.7 | -42.8 | 174 | -169.4 | 0 | 0 | 0 | 0 | 111.3 | E268 E269 K276 | E268-S272 VanDerWaalsContact O-CB 3.25Å; E268-S272 WeakPolarHBondContact O-CB 3.31Å; E268-S272 PolarHBondContact O-N 2.91Å; E269-S272 PolarHBondContact O-N 3.45Å; S272-K276 VanDerWaalsContact O-CD 3.31Å; S272-K276 WeakPolarHBondContact O-CD 3.33Å; S272-K276 VanDerWaalsContact O-CG 3.24Å; S272-K276 WeakPolarHBondContact O-CG 3.15Å; S272-K276 PolarHBondContact O-N 2.91Å; S272-K276 VanDerWaalsContact O-N 3.09Å; S272-K276 PolarHBondContact OG-NZ 3.17Å |
| 273 | T | 94 | Very high | 93.9 | Very high | 86 Ų | 86 | 96.7 Ų | 96.7 | 53% | 0.528 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -68.3 | -39.8 | 178 | -56.4 | 0 | 0 | 0 | 0 | 112 | E269 F270 Q271 S277 | E269-T273 WeakPolarHBondContact O-CB 3.24Å; E269-T273 PolarHBondContact O-N 3.38Å; E269-T273 PolarHBondContact O-OG1 3.31Å; F270-T273 PolarHBondContact O-N 2.85Å; Q271-T273 VanDerWaalsContact C-N 3.3Å; Q271-T273 PolarHBondContact O-N 3.42Å; T273-S277 WeakPolarHBondContact O-CB 3.48Å; T273-S277 PolarHBondContact O-N 3.38Å |
| 274 | L | 93.6 | Very high | 93.6 | Very high | 93 Ų | 93 | 96.2 Ų | 96.2 | 49% | 0.487 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -71.1 | -36.7 | 178.2 | -174.3 | 142.1 | 0 | 0 | 0 | 112 | F270 Q271 S277 N278 | F270-L274 VanDerWaalsContact O-CB 3.27Å; F270-L274 WeakPolarHBondContact O-CB 3.3Å; F270-L274 PolarHBondContact O-N 3.5Å; Q271-L274 PolarHBondContact O-N 3.09Å; L274-S277 PolarHBondContact O-N 2.91Å; L274-N278 WeakPolarHBondContact CD2-ND2 3.42Å; L274-N278 WeakPolarHBondContact O-CB 3.25Å; L274-N278 PolarHBondContact O-N 2.76Å; L274-N278 PolarHBondContact O-ND2 2.91Å |
| 275 | A | 92.9 | Very high | 93.4 | Very high | 56 Ų | 56 | 99.6 Ų | 99.6 | 46% | 0.463 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.7 | -50.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q271 S277 N278 E279 | Q271-A275 VanDerWaalsContact O-CB 3.32Å; Q271-A275 WeakPolarHBondContact O-CB 3.45Å; Q271-A275 PolarHBondContact O-N 3.25Å; A275-S277 VanDerWaalsContact C-N 3.3Å; A275-S277 PolarHBondContact O-N 3.37Å; A275-N278 PolarHBondContact O-N 3.01Å; A275-N278 VanDerWaalsContact O-N 3.17Å; A275-E279 PolarHBondContact O-N 2.98Å |
| 276 | K | 93.4 | Very high | 93.3 | Very high | 120 Ų | 120 | 101 Ų | 101 | 52% | 0.522 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -57.7 | -40.7 | 174.1 | -71 | 160.9 | -177.8 | 152.1 | 0 | 112.1 | S272 E279 V280 | S272-K276 VanDerWaalsContact O-CD 3.31Å; S272-K276 WeakPolarHBondContact O-CD 3.33Å; S272-K276 VanDerWaalsContact O-CG 3.24Å; S272-K276 WeakPolarHBondContact O-CG 3.15Å; S272-K276 PolarHBondContact O-N 2.91Å; S272-K276 VanDerWaalsContact O-N 3.09Å; S272-K276 PolarHBondContact OG-NZ 3.17Å; K276-E279 PolarHBondContact O-N 3.45Å; K276-V280 WeakPolarHBondContact O-CG2 3.39Å; K276-V280 PolarHBondContact O-N 2.91Å |
| 277 | S | 93 | Very high | 93 | Very high | 53 Ų | 53 | 101.9 Ų | 101.9 | 37% | 0.371 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.9 | -43.6 | 176.1 | -170.3 | 0 | 0 | 0 | 0 | 112.1 | T273 L274 A275 E279 V280 F281 | T273-S277 WeakPolarHBondContact O-CB 3.48Å; T273-S277 PolarHBondContact O-N 3.38Å; L274-S277 PolarHBondContact O-N 2.91Å; A275-S277 VanDerWaalsContact C-N 3.3Å; A275-S277 PolarHBondContact O-N 3.37Å; S277-E279 VanDerWaalsContact C-N 3.34Å; S277-E279 PolarHBondContact O-N 2.83Å; S277-V280 PolarHBondContact O-N 3.34Å; S277-F281 WeakPolarHBondContact O-CD2 3.4Å; S277-F281 PolarHBondContact O-N 3.3Å |
| 278 | N | 92.8 | Very high | 92.7 | Very high | 86 Ų | 86 | 102 Ų | 102 | 46% | 0.46 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.4 | -37.2 | 175 | -75 | -28 | 0 | 0 | 0 | 112.6 | L274 A275 F281 T282 | L274-N278 WeakPolarHBondContact CD2-ND2 3.42Å; L274-N278 WeakPolarHBondContact O-CB 3.25Å; L274-N278 PolarHBondContact O-N 2.76Å; L274-N278 PolarHBondContact O-ND2 2.91Å; A275-N278 PolarHBondContact O-N 3.01Å; A275-N278 VanDerWaalsContact O-N 3.17Å; N278-F281 PolarHBondContact O-N 3.41Å; N278-T282 WeakPolarHBondContact O-CG2 3.32Å; N278-T282 PolarHBondContact O-N 3.26Å; N278-T282 PolarHBondContact O-OG1 3.35Å |
| 279 | E | 93.1 | Very high | 92.6 | Very high | 125 Ų | 125 | 100.6 Ų | 100.6 | 58% | 0.584 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.7 | -40.7 | 173.6 | -174.4 | 177.1 | -162.5 | 0 | 0 | 112.2 | A275 K276 S277 F281 T282 T283 | A275-E279 PolarHBondContact O-N 2.98Å; K276-E279 PolarHBondContact O-N 3.45Å; S277-E279 VanDerWaalsContact C-N 3.34Å; S277-E279 PolarHBondContact O-N 2.83Å; E279-F281 VanDerWaalsContact C-N 3.34Å; E279-T282 WeakPolarHBondContact CA-OG1 3.35Å; E279-T282 PolarHBondContact O-N 2.96Å; E279-T282 PolarHBondContact O-OG1 3Å; E279-T282 VanDerWaalsContact O-OG1 3.07Å; E279-T283 WeakPolarHBondContact O-CB 3.48Å; E279-T283 WeakPolarHBondContact O-CG2 3.41Å; E279-T283 PolarHBondContact O-N 3.01Å; E279-T283 PolarHBondContact O-OG1 3.07Å |
| 280 | V | 93.9 | Very high | 92.5 | Very high | 73 Ų | 73 | 100.8 Ų | 100.8 | 44% | 0.442 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.4 | -38.7 | 171 | 170.5 | 0 | 0 | 0 | 0 | 111.3 | K276 S277 T283 F284 | K276-V280 WeakPolarHBondContact O-CG2 3.39Å; K276-V280 PolarHBondContact O-N 2.91Å; S277-V280 PolarHBondContact O-N 3.34Å; V280-T283 WeakPolarHBondContact CA-OG1 3.46Å; V280-T283 PolarHBondContact O-OG1 3.25Å; V280-F284 HydrophobicContact CG1-CD2 3.66Å; V280-F284 HydrophobicContact CG1-CE2 3.66Å; V280-F284 WeakPolarHBondContact O-CB 3.3Å; V280-F284 VanDerWaalsContact O-CD2 3.27Å; V280-F284 WeakPolarHBondContact O-CD2 3.28Å; V280-F284 PolarHBondContact O-N 2.96Å |
| 281 | F | 91.1 | Very high | 92.3 | Very high | 136 Ų | 136 | 99.5 Ų | 99.5 | 60% | 0.596 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -70.4 | -36.5 | 175.3 | -78.5 | -61.7 | 0 | 0 | 0 | 114 | S277 N278 E279 R285 | S277-F281 WeakPolarHBondContact O-CD2 3.4Å; S277-F281 PolarHBondContact O-N 3.3Å; N278-F281 PolarHBondContact O-N 3.41Å; E279-F281 VanDerWaalsContact C-N 3.34Å; F281-R285 WeakPolarHBondContact O-CB 3.27Å; F281-R285 PolarHBondContact O-N 2.88Å |
| 282 | T | 91.9 | Very high | 92.2 | Very high | 71 Ų | 71 | 98 Ų | 98 | 44% | 0.436 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -72.5 | -39.6 | 176.9 | 52.8 | 0 | 0 | 0 | 0 | 111.6 | N278 E279 R285 Q286 | N278-T282 WeakPolarHBondContact O-CG2 3.32Å; N278-T282 PolarHBondContact O-N 3.26Å; N278-T282 PolarHBondContact O-OG1 3.35Å; E279-T282 WeakPolarHBondContact CA-OG1 3.35Å; E279-T282 PolarHBondContact O-N 2.96Å; E279-T282 PolarHBondContact O-OG1 3Å; E279-T282 VanDerWaalsContact O-OG1 3.07Å; T282-R285 PolarHBondContact O-N 3.45Å; T282-Q286 WeakPolarHBondContact O-CG 3.4Å; T282-Q286 PolarHBondContact O-N 2.82Å |
| 283 | T | 91.1 | Very high | 92.1 | Very high | 63 Ų | 63 | 101.7 Ų | 101.7 | 39% | 0.387 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.9 | -49.2 | 172.9 | 48.3 | 0 | 0 | 0 | 0 | 111.6 | E279 V280 R285 Q286 E287 | E279-T283 WeakPolarHBondContact O-CB 3.48Å; E279-T283 WeakPolarHBondContact O-CG2 3.41Å; E279-T283 PolarHBondContact O-N 3.01Å; E279-T283 PolarHBondContact O-OG1 3.07Å; V280-T283 WeakPolarHBondContact CA-OG1 3.46Å; V280-T283 PolarHBondContact O-OG1 3.25Å; T283-R285 VanDerWaalsContact C-N 3.3Å; T283-R285 PolarHBondContact O-N 2.89Å; T283-Q286 WeakPolarHBondContact O-CB 3.49Å; T283-Q286 PolarHBondContact O-N 3.5Å; T283-Q286 VanDerWaalsContact O-N 3.1Å; T283-E287 PolarHBondContact O-N 2.71Å |
| 284 | F | 90.8 | Very high | 91.9 | Very high | 125 Ų | 125 | 104.6 Ų | 104.6 | 55% | 0.548 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -58.3 | -37.5 | 173.8 | -88 | -54.4 | 0 | 0 | 0 | 113.3 | V280 E287 M288 | V280-F284 HydrophobicContact CG1-CD2 3.66Å; V280-F284 HydrophobicContact CG1-CE2 3.66Å; V280-F284 WeakPolarHBondContact O-CB 3.3Å; V280-F284 VanDerWaalsContact O-CD2 3.27Å; V280-F284 WeakPolarHBondContact O-CD2 3.28Å; V280-F284 PolarHBondContact O-N 2.96Å; F284-E287 PolarHBondContact O-N 3.38Å; F284-M288 PolarHBondContact O-N 2.81Å |
| 285 | R | 91.9 | Very high | 91.7 | Very high | 172 Ų | 172 | 104.1 Ų | 104.1 | 65% | 0.649 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.3 | -46.1 | 174 | -177.6 | -179.7 | -66.2 | 171.4 | 0.9 | 111.4 | F281 T282 T283 E287 M288 E289 | F281-R285 WeakPolarHBondContact O-CB 3.27Å; F281-R285 PolarHBondContact O-N 2.88Å; T282-R285 PolarHBondContact O-N 3.45Å; T283-R285 VanDerWaalsContact C-N 3.3Å; T283-R285 PolarHBondContact O-N 2.89Å; R285-E287 VanDerWaalsContact C-N 3.27Å; R285-E287 PolarHBondContact O-N 2.88Å; R285-M288 PolarHBondContact O-N 3.35Å; R285-E289 PolarHBondContact O-N 2.97Å |
| 286 | Q | 92.3 | Very high | 91.5 | Very high | 103 Ų | 103 | 107.6 Ų | 107.6 | 48% | 0.481 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.1 | -37.1 | 176.4 | -70 | 175.3 | 23 | 0 | 0 | 111.8 | T282 T283 E289 K290 | T282-Q286 WeakPolarHBondContact O-CG 3.4Å; T282-Q286 PolarHBondContact O-N 2.82Å; T283-Q286 WeakPolarHBondContact O-CB 3.49Å; T283-Q286 PolarHBondContact O-N 3.5Å; T283-Q286 VanDerWaalsContact O-N 3.1Å; Q286-E289 PolarHBondContact O-N 3.29Å; Q286-K290 WeakPolarHBondContact O-CB 3.48Å; Q286-K290 WeakPolarHBondContact O-CD 3.48Å; Q286-K290 WeakPolarHBondContact O-CG 3.45Å; Q286-K290 PolarHBondContact O-N 3.18Å |
| 287 | E | 89.8 | Confident | 91.3 | Very high | 113 Ų | 113 | 108 Ų | 108 | 53% | 0.528 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68.7 | -43.9 | 174.6 | -69.4 | -165.8 | 155.3 | 0 | 0 | 112.8 | T283 F284 R285 E289 K290 M291 | T283-E287 PolarHBondContact O-N 2.71Å; F284-E287 PolarHBondContact O-N 3.38Å; R285-E287 VanDerWaalsContact C-N 3.27Å; R285-E287 PolarHBondContact O-N 2.88Å; E287-E289 VanDerWaalsContact C-N 3.28Å; E287-E289 PolarHBondContact O-N 3.34Å; E287-K290 PolarHBondContact O-N 3.29Å; E287-M291 VanDerWaalsContact O-CB 3.3Å; E287-M291 WeakPolarHBondContact O-CB 3.2Å; E287-M291 PolarHBondContact O-N 3.24Å |
| 288 | M | 90.3 | Very high | 91 | Very high | 130 Ų | 130 | 109.8 Ų | 109.8 | 64% | 0.64 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -59.8 | -38.1 | 171.8 | -77.9 | -155.5 | 76.6 | 0 | 0 | 112 | F284 R285 M291 T292 | F284-M288 PolarHBondContact O-N 2.81Å; R285-M288 PolarHBondContact O-N 3.35Å; M288-M291 PolarHBondContact O-N 2.91Å; M288-T292 VanDerWaalsContact O-CB 3.28Å; M288-T292 WeakPolarHBondContact O-CB 3.47Å; M288-T292 PolarHBondContact O-N 3.39Å; M288-T292 PolarHBondContact O-OG1 3.1Å |
| 289 | E | 91.8 | Very high | 90.8 | Very high | 88 Ų | 88 | 110.9 Ų | 110.9 | 41% | 0.411 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.7 | -45.4 | 174.1 | -79.7 | -173.7 | -141.1 | 0 | 0 | 112.5 | R285 Q286 E287 M291 T292 K293 | R285-E289 PolarHBondContact O-N 2.97Å; Q286-E289 PolarHBondContact O-N 3.29Å; E287-E289 VanDerWaalsContact C-N 3.28Å; E287-E289 PolarHBondContact O-N 3.34Å; E289-M291 VanDerWaalsContact C-N 3.31Å; E289-M291 PolarHBondContact O-N 3.46Å; E289-T292 PolarHBondContact O-N 3.15Å; E289-K293 WeakPolarHBondContact O-CB 3.34Å; E289-K293 WeakPolarHBondContact O-CD 3.37Å; E289-K293 WeakPolarHBondContact O-CG 3.36Å; E289-K293 PolarHBondContact O-N 2.93Å; E289-K293 IonicContact OE2-NZ 2.67Å; E289-K293 PolarHBondContact OE2-NZ 3.07Å |
| 290 | K | 92.3 | Very high | 90.6 | Very high | 129 Ų | 129 | 112 Ų | 112 | 56% | 0.561 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -58.4 | -44.4 | 174.3 | -73.5 | 163.9 | -175.5 | 172 | 0 | 110.5 | Q286 E287 K293 K294 | Q286-K290 WeakPolarHBondContact O-CB 3.48Å; Q286-K290 WeakPolarHBondContact O-CD 3.48Å; Q286-K290 WeakPolarHBondContact O-CG 3.45Å; Q286-K290 PolarHBondContact O-N 3.18Å; E287-K290 PolarHBondContact O-N 3.29Å; K290-K293 PolarHBondContact O-N 2.83Å; K290-K294 WeakPolarHBondContact O-CB 3.44Å; K290-K294 PolarHBondContact O-N 3.47Å |
| 291 | M | 90.6 | Very high | 90.3 | Very high | 122 Ų | 122 | 111.4 Ų | 111.4 | 60% | 0.601 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.1 | -44.8 | 176.5 | -169.7 | -178.6 | -65.7 | 0 | 0 | 111.7 | E287 M288 E289 K293 K294 I295 | E287-M291 VanDerWaalsContact O-CB 3.3Å; E287-M291 WeakPolarHBondContact O-CB 3.2Å; E287-M291 PolarHBondContact O-N 3.24Å; M288-M291 PolarHBondContact O-N 2.91Å; E289-M291 VanDerWaalsContact C-N 3.31Å; E289-M291 PolarHBondContact O-N 3.46Å; M291-K293 PolarHBondContact O-N 2.83Å; M291-K294 WeakPolarHBondContact O-CB 3.42Å; M291-K294 PolarHBondContact O-N 3.41Å; M291-K294 VanDerWaalsContact O-N 3.15Å; M291-I295 HydrophobicContact CG-CD1 4.2Å; M291-I295 WeakPolarHBondContact O-CG1 3.38Å; M291-I295 PolarHBondContact O-N 2.99Å |
| 292 | T | 90.9 | Very high | 90.1 | Very high | 62 Ų | 62 | 108.7 Ų | 108.7 | 38% | 0.38 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.6 | -40 | 176.5 | -58.2 | 0 | 0 | 0 | 0 | 111.9 | M288 E289 K294 I295 K296 | M288-T292 VanDerWaalsContact O-CB 3.28Å; M288-T292 WeakPolarHBondContact O-CB 3.47Å; M288-T292 PolarHBondContact O-N 3.39Å; M288-T292 PolarHBondContact O-OG1 3.1Å; E289-T292 PolarHBondContact O-N 3.15Å; T292-K294 VanDerWaalsContact C-N 3.34Å; T292-I295 PolarHBondContact O-N 2.85Å; T292-K296 HydrophobicContact CG2-CD 4.47Å; T292-K296 WeakPolarHBondContact O-CG 3.36Å; T292-K296 PolarHBondContact O-N 3.34Å |
| 293 | K | 92.3 | Very high | 89.8 | Confident | 129 Ų | 129 | 108.4 Ų | 108.4 | 56% | 0.561 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63 | -40.4 | 173 | -72.1 | 159.6 | -174.9 | 158.5 | 0 | 110.8 | E289 K290 M291 K296 K297 | E289-K293 WeakPolarHBondContact O-CB 3.34Å; E289-K293 WeakPolarHBondContact O-CD 3.37Å; E289-K293 WeakPolarHBondContact O-CG 3.36Å; E289-K293 PolarHBondContact O-N 2.93Å; E289-K293 IonicContact OE2-NZ 2.67Å; E289-K293 PolarHBondContact OE2-NZ 3.07Å; K290-K293 PolarHBondContact O-N 2.83Å; M291-K293 PolarHBondContact O-N 2.83Å; K293-K296 PolarHBondContact O-N 3.31Å; K293-K297 PolarHBondContact O-N 3.47Å |
| 294 | K | 90.7 | Very high | 89.7 | Confident | 147 Ų | 147 | 111.3 Ų | 111.3 | 64% | 0.639 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -67.5 | -42.2 | 176 | -167.3 | 171.9 | -176.8 | 176.4 | 0 | 112.6 | K290 M291 T292 K297 L298 | K290-K294 WeakPolarHBondContact O-CB 3.44Å; K290-K294 PolarHBondContact O-N 3.47Å; M291-K294 WeakPolarHBondContact O-CB 3.42Å; M291-K294 PolarHBondContact O-N 3.41Å; M291-K294 VanDerWaalsContact O-N 3.15Å; T292-K294 VanDerWaalsContact C-N 3.34Å; K294-K297 WeakPolarHBondContact O-CB 3.28Å; K294-K297 PolarHBondContact O-N 2.9Å; K294-L298 HydrophobicContact CG-CD1 4.4Å; K294-L298 WeakPolarHBondContact O-CG 3.38Å; K294-L298 PolarHBondContact O-N 3.02Å |
| 295 | I | 87.9 | Confident | 89.6 | Confident | 83 Ų | 83 | 113.9 Ų | 113.9 | 43% | 0.426 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -58.2 | -51.7 | 172.6 | -69.8 | 164.6 | 0 | 0 | 0 | 109.9 | M291 T292 K297 L298 E299 | M291-I295 HydrophobicContact CG-CD1 4.2Å; M291-I295 WeakPolarHBondContact O-CG1 3.38Å; M291-I295 PolarHBondContact O-N 2.99Å; T292-I295 PolarHBondContact O-N 2.85Å; I295-K297 PolarHBondContact O-N 2.99Å; I295-L298 CarbonylContact O-C 3.51Å; I295-L298 PolarHBondContact O-N 2.69Å; I295-L298 VanDerWaalsContact O-N 3.07Å; I295-E299 HydrophobicContact CG2-CG 4.2Å; I295-E299 WeakPolarHBondContact O-CG 3.41Å; I295-E299 PolarHBondContact O-N 2.84Å |
| 296 | K | 90.3 | Very high | 89.3 | Confident | 129 Ų | 129 | 111.8 Ų | 111.8 | 56% | 0.561 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.9 | -27 | 177.9 | -73 | 179.5 | 178 | -176.7 | 0 | 114.3 | T292 K293 E299 K300 | T292-K296 HydrophobicContact CG2-CD 4.47Å; T292-K296 WeakPolarHBondContact O-CG 3.36Å; T292-K296 PolarHBondContact O-N 3.34Å; K293-K296 PolarHBondContact O-N 3.31Å; K296-E299 WeakPolarHBondContact CA-OE2 3.5Å; K296-K300 WeakPolarHBondContact O-CG 3.21Å; K296-K300 PolarHBondContact O-N 3.06Å |
| 297 | K | 89.6 | Confident | 89 | Confident | 128 Ų | 128 | 110.9 Ų | 110.9 | 56% | 0.557 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -71.7 | -49.4 | 172 | -168.4 | 176.6 | -171.7 | -78.3 | 0 | 110.8 | K293 K294 I295 E299 K300 E301 | K293-K297 PolarHBondContact O-N 3.47Å; K294-K297 WeakPolarHBondContact O-CB 3.28Å; K294-K297 PolarHBondContact O-N 2.9Å; I295-K297 PolarHBondContact O-N 2.99Å; K297-E299 VanDerWaalsContact C-N 3.32Å; K297-E299 PolarHBondContact O-N 3.19Å; K297-K300 PolarHBondContact O-N 3.4Å; K297-E301 WeakPolarHBondContact CG-OE1 3.23Å; K297-E301 IonicContact NZ-OE1 3.65Å; K297-E301 PolarHBondContact NZ-OE1 3.44Å; K297-E301 WeakPolarHBondContact O-CG 3.41Å; K297-E301 PolarHBondContact O-N 3.45Å |
| 298 | L | 86.3 | Confident | 88.8 | Confident | 92 Ų | 92 | 111.6 Ų | 111.6 | 48% | 0.482 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62 | -36.2 | 176.7 | -67.9 | 166.4 | 0 | 0 | 0 | 112.4 | K294 I295 E301 T302 | K294-L298 HydrophobicContact CG-CD1 4.4Å; K294-L298 WeakPolarHBondContact O-CG 3.38Å; K294-L298 PolarHBondContact O-N 3.02Å; I295-L298 CarbonylContact O-C 3.51Å; I295-L298 PolarHBondContact O-N 2.69Å; I295-L298 VanDerWaalsContact O-N 3.07Å; L298-E301 PolarHBondContact O-N 2.93Å; L298-T302 VanDerWaalsContact O-CB 3.28Å; L298-T302 WeakPolarHBondContact O-CB 3.32Å; L298-T302 PolarHBondContact O-N 2.96Å; L298-T302 PolarHBondContact O-OG1 3.32Å |
| 299 | E | 87.4 | Confident | 88.7 | Confident | 109 Ų | 109 | 113.3 Ų | 113.3 | 51% | 0.509 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.7 | -44.8 | 173.6 | -73.1 | 173.3 | 152 | 0 | 0 | 111.8 | I295 K296 K297 T302 T303 | I295-E299 HydrophobicContact CG2-CG 4.2Å; I295-E299 WeakPolarHBondContact O-CG 3.41Å; I295-E299 PolarHBondContact O-N 2.84Å; K296-E299 WeakPolarHBondContact CA-OE2 3.5Å; K297-E299 VanDerWaalsContact C-N 3.32Å; K297-E299 PolarHBondContact O-N 3.19Å; E299-T302 PolarHBondContact O-N 3.3Å; E299-T303 PolarHBondContact O-N 2.9Å; E299-T303 PolarHBondContact O-OG1 3.23Å |
| 300 | K | 89.2 | Confident | 88.5 | Confident | 148 Ų | 148 | 113.3 Ų | 113.3 | 64% | 0.643 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65.4 | -41.1 | 175.2 | -77.8 | -177.7 | 174.6 | -169.9 | 0 | 112.5 | K296 K297 T302 T303 Q304 | K296-K300 WeakPolarHBondContact O-CG 3.21Å; K296-K300 PolarHBondContact O-N 3.06Å; K297-K300 PolarHBondContact O-N 3.4Å; K300-T302 VanDerWaalsContact C-N 3.32Å; K300-T303 PolarHBondContact O-N 3.35Å; K300-T303 PolarHBondContact O-OG1 3.44Å; K300-T303 VanDerWaalsContact O-OG1 3.09Å; K300-Q304 WeakPolarHBondContact O-CB 3.5Å; K300-Q304 WeakPolarHBondContact O-CG 3.46Å; K300-Q304 PolarHBondContact O-N 3Å |
| 301 | E | 87.4 | Confident | 88.1 | Confident | 60 Ų | 60 | 110.9 Ų | 110.9 | 28% | 0.28 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.7 | -41.5 | 175 | -72 | 163.4 | 177.6 | 0 | 0 | 110.2 | K297 L298 Q304 W305 | K297-E301 WeakPolarHBondContact CG-OE1 3.23Å; K297-E301 IonicContact NZ-OE1 3.65Å; K297-E301 PolarHBondContact NZ-OE1 3.44Å; K297-E301 WeakPolarHBondContact O-CG 3.41Å; K297-E301 PolarHBondContact O-N 3.45Å; L298-E301 PolarHBondContact O-N 2.93Å; E301-Q304 PolarHBondContact O-N 3.49Å; E301-W305 WeakPolarHBondContact O-CB 3.42Å; E301-W305 PolarHBondContact O-N 3.47Å |
| 302 | T | 87.5 | Confident | 87.9 | Confident | 80 Ų | 80 | 110.3 Ų | 110.3 | 49% | 0.491 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.6 | -41.5 | 176.5 | -58.7 | 0 | 0 | 0 | 0 | 112.4 | L298 E299 K300 R306 | L298-T302 VanDerWaalsContact O-CB 3.28Å; L298-T302 WeakPolarHBondContact O-CB 3.32Å; L298-T302 PolarHBondContact O-N 2.96Å; L298-T302 PolarHBondContact O-OG1 3.32Å; E299-T302 PolarHBondContact O-N 3.3Å; K300-T302 VanDerWaalsContact C-N 3.32Å; T302-R306 WeakPolarHBondContact O-CB 3.29Å; T302-R306 PolarHBondContact O-N 3.03Å |
| 303 | T | 86.3 | Confident | 87.7 | Confident | 64 Ų | 64 | 110.4 Ų | 110.4 | 39% | 0.393 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -71.1 | -38.9 | 175.7 | 52.9 | 0 | 0 | 0 | 0 | 112.2 | E299 K300 W305 R306 T307 | E299-T303 PolarHBondContact O-N 2.9Å; E299-T303 PolarHBondContact O-OG1 3.23Å; K300-T303 PolarHBondContact O-N 3.35Å; K300-T303 PolarHBondContact O-OG1 3.44Å; K300-T303 VanDerWaalsContact O-OG1 3.09Å; T303-W305 PolarHBondContact O-N 3.48Å; T303-R306 WeakPolarHBondContact O-CB 3.44Å; T303-R306 PolarHBondContact O-N 3.5Å; T303-T307 PolarHBondContact O-N 2.63Å; T303-T307 PolarHBondContact O-OG1 3.37Å |
| 304 | Q | 89.2 | Confident | 87.4 | Confident | 124 Ų | 124 | 109.1 Ų | 109.1 | 58% | 0.579 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -59.8 | -45.4 | 172.6 | -77 | -177.3 | -4.6 | 0 | 0 | 112.3 | K300 E301 R306 T307 K308 | K300-Q304 WeakPolarHBondContact O-CB 3.5Å; K300-Q304 WeakPolarHBondContact O-CG 3.46Å; K300-Q304 PolarHBondContact O-N 3Å; E301-Q304 PolarHBondContact O-N 3.49Å; Q304-R306 VanDerWaalsContact C-N 3.33Å; Q304-R306 PolarHBondContact O-N 2.9Å; Q304-T307 PolarHBondContact O-N 2.8Å; Q304-K308 WeakPolarHBondContact O-CB 3.49Å; Q304-K308 WeakPolarHBondContact O-CG 3.45Å; Q304-K308 PolarHBondContact O-N 3.13Å |
| 305 | W | 86.7 | Confident | 87 | Confident | 179 Ų | 179 | 104.3 Ų | 104.3 | 68% | 0.678 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.8 | -39.1 | 175.7 | -79.1 | 119.6 | 0 | 0 | 0 | 112.3 | E301 T303 K308 W309 | E301-W305 WeakPolarHBondContact O-CB 3.42Å; E301-W305 PolarHBondContact O-N 3.47Å; T303-W305 PolarHBondContact O-N 3.48Å; W305-K308 HydrophobicContact CE3-CD 4.08Å; W305-K308 HydrophobicContact CZ3-CD 4.15Å; W305-K308 PolarHBondContact O-N 3.25Å; W305-W309 WeakPolarHBondContact O-CB 3.29Å; W305-W309 PolarHBondContact O-N 3.44Å |
| 306 | R | 87.4 | Confident | 86.7 | Confident | 128 Ų | 128 | 105.5 Ų | 105.5 | 48% | 0.483 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.6 | -49.1 | 174.2 | -163.8 | -167.3 | -56.9 | 144.5 | 6.2 | 111.8 | T302 T303 Q304 K308 W309 E310 | T302-R306 WeakPolarHBondContact O-CB 3.29Å; T302-R306 PolarHBondContact O-N 3.03Å; T303-R306 WeakPolarHBondContact O-CB 3.44Å; T303-R306 PolarHBondContact O-N 3.5Å; Q304-R306 VanDerWaalsContact C-N 3.33Å; Q304-R306 PolarHBondContact O-N 2.9Å; R306-K308 VanDerWaalsContact C-N 3.35Å; R306-K308 PolarHBondContact O-N 3.37Å; R306-W309 WeakPolarHBondContact O-CB 3.47Å; R306-W309 PolarHBondContact O-N 3.2Å; R306-W309 VanDerWaalsContact O-N 3.13Å; R306-E310 VanDerWaalsContact CD-OE1 3.23Å; R306-E310 WeakPolarHBondContact CD-OE1 3.42Å; R306-E310 HydrophobicContact CG-CG 4.36Å; R306-E310 WeakPolarHBondContact CG-OE1 3.4Å; R306-E310 WeakPolarHBondContact O-CB 3.36Å; R306-E310 VanDerWaalsContact O-CG 3.29Å; R306-E310 WeakPolarHBondContact O-CG 3.45Å; R306-E310 PolarHBondContact O-N 2.99Å |
| 307 | T | 85.2 | Confident | 86.3 | Confident | 84 Ų | 84 | 103.2 Ų | 103.2 | 52% | 0.515 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.1 | -33.7 | 179.9 | -57 | 0 | 0 | 0 | 0 | 112.7 | T303 Q304 E310 S311 | T303-T307 PolarHBondContact O-N 2.63Å; T303-T307 PolarHBondContact O-OG1 3.37Å; Q304-T307 PolarHBondContact O-N 2.8Å; T307-E310 WeakPolarHBondContact CA-OE2 3.48Å; T307-S311 VanDerWaalsContact O-CB 3.24Å; T307-S311 WeakPolarHBondContact O-CB 3.49Å; T307-S311 PolarHBondContact O-N 3.38Å |
| 308 | K | 86.6 | Confident | 85.9 | Confident | 128 Ų | 128 | 102.2 Ų | 102.2 | 56% | 0.557 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.7 | -44.2 | 169.6 | -76.4 | -179.6 | 177.4 | -174.6 | 0 | 111.7 | Q304 W305 R306 N312 | Q304-K308 WeakPolarHBondContact O-CB 3.49Å; Q304-K308 WeakPolarHBondContact O-CG 3.45Å; Q304-K308 PolarHBondContact O-N 3.13Å; W305-K308 HydrophobicContact CE3-CD 4.08Å; W305-K308 HydrophobicContact CZ3-CD 4.15Å; W305-K308 PolarHBondContact O-N 3.25Å; R306-K308 VanDerWaalsContact C-N 3.35Å; R306-K308 PolarHBondContact O-N 3.37Å; K308-N312 WeakPolarHBondContact O-CB 3.38Å; K308-N312 PolarHBondContact O-N 2.92Å |
| 309 | W | 87.7 | Confident | 85.5 | Confident | 166 Ų | 166 | 104.6 Ų | 104.6 | 63% | 0.629 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -67.2 | -45 | 177.4 | 178.2 | 84.5 | 0 | 0 | 0 | 112.4 | W305 R306 S311 N312 N313 | W305-W309 WeakPolarHBondContact O-CB 3.29Å; W305-W309 PolarHBondContact O-N 3.44Å; R306-W309 WeakPolarHBondContact O-CB 3.47Å; R306-W309 PolarHBondContact O-N 3.2Å; R306-W309 VanDerWaalsContact O-N 3.13Å; W309-S311 VanDerWaalsContact C-N 3.34Å; W309-S311 PolarHBondContact O-N 2.93Å; W309-N312 PolarHBondContact O-N 2.96Å; W309-N313 VanDerWaalsContact O-CB 3.29Å; W309-N313 WeakPolarHBondContact O-CB 3.43Å; W309-N313 PolarHBondContact O-N 3.09Å |
| 310 | E | 86.5 | Confident | 84.9 | Confident | 88 Ų | 88 | 101.8 Ų | 101.8 | 41% | 0.411 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -57.2 | -46.4 | 174.9 | -72.9 | 162.4 | 172.1 | 0 | 0 | 111 | R306 T307 N313 Q314 | R306-E310 VanDerWaalsContact CD-OE1 3.23Å; R306-E310 WeakPolarHBondContact CD-OE1 3.42Å; R306-E310 HydrophobicContact CG-CG 4.36Å; R306-E310 WeakPolarHBondContact CG-OE1 3.4Å; R306-E310 WeakPolarHBondContact O-CB 3.36Å; R306-E310 VanDerWaalsContact O-CG 3.29Å; R306-E310 WeakPolarHBondContact O-CG 3.45Å; R306-E310 PolarHBondContact O-N 2.99Å; T307-E310 WeakPolarHBondContact CA-OE2 3.48Å; E310-N313 PolarHBondContact O-N 3.05Å; E310-Q314 WeakPolarHBondContact O-CB 3.45Å; E310-Q314 PolarHBondContact O-N 3.2Å |
| 311 | S | 84.9 | Confident | 84.4 | Confident | 79 Ų | 79 | 100.8 Ų | 100.8 | 55% | 0.552 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.1 | -45.9 | 177.6 | -177.1 | 0 | 0 | 0 | 0 | 112.8 | T307 W309 N313 Q314 A315 | T307-S311 VanDerWaalsContact O-CB 3.24Å; T307-S311 WeakPolarHBondContact O-CB 3.49Å; T307-S311 PolarHBondContact O-N 3.38Å; W309-S311 VanDerWaalsContact C-N 3.34Å; W309-S311 PolarHBondContact O-N 2.93Å; S311-N313 VanDerWaalsContact C-N 3.35Å; S311-N313 PolarHBondContact O-N 3.46Å; S311-Q314 WeakPolarHBondContact O-CB 3.37Å; S311-Q314 PolarHBondContact O-N 3.37Å; S311-A315 PolarHBondContact O-N 3.39Å |
| 312 | N | 85.6 | Confident | 84 | Confident | 109 Ų | 109 | 104.7 Ų | 104.7 | 58% | 0.583 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63 | -41.5 | 176.8 | -178.3 | -105.3 | 0 | 0 | 0 | 111.9 | K308 W309 Q314 A315 L316 | K308-N312 WeakPolarHBondContact O-CB 3.38Å; K308-N312 PolarHBondContact O-N 2.92Å; W309-N312 PolarHBondContact O-N 2.96Å; N312-Q314 VanDerWaalsContact C-N 3.34Å; N312-A315 PolarHBondContact O-N 3.01Å; N312-L316 WeakPolarHBondContact O-CB 3.38Å; N312-L316 PolarHBondContact O-N 2.93Å |
| 313 | N | 86.6 | Confident | 83.7 | Confident | 65 Ų | 65 | 107.4 Ų | 107.4 | 35% | 0.348 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.6 | -34.7 | 175.3 | -171.6 | 73.7 | 0 | 0 | 0 | 112.2 | W309 E310 S311 L316 L317 | W309-N313 VanDerWaalsContact O-CB 3.29Å; W309-N313 WeakPolarHBondContact O-CB 3.43Å; W309-N313 PolarHBondContact O-N 3.09Å; E310-N313 PolarHBondContact O-N 3.05Å; S311-N313 VanDerWaalsContact C-N 3.35Å; S311-N313 PolarHBondContact O-N 3.46Å; N313-L316 PolarHBondContact O-N 2.98Å; N313-L317 WeakPolarHBondContact O-CG 3.48Å; N313-L317 PolarHBondContact O-N 3.21Å |
| 314 | Q | 86.7 | Confident | 83.4 | Confident | 101 Ų | 101 | 109 Ų | 109 | 47% | 0.472 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.2 | -41.7 | 174.2 | -173.7 | 63.2 | 55.8 | 0 | 0 | 112.3 | E310 S311 N312 L316 L317 Q318 | E310-Q314 WeakPolarHBondContact O-CB 3.45Å; E310-Q314 PolarHBondContact O-N 3.2Å; S311-Q314 WeakPolarHBondContact O-CB 3.37Å; S311-Q314 PolarHBondContact O-N 3.37Å; N312-Q314 VanDerWaalsContact C-N 3.34Å; Q314-L316 VanDerWaalsContact C-N 3.34Å; Q314-L317 PolarHBondContact O-N 2.88Å; Q314-Q318 WeakPolarHBondContact O-CG 3.48Å; Q314-Q318 PolarHBondContact O-N 2.95Å |
| 315 | A | 82.1 | Confident | 82.9 | Confident | 47 Ų | 47 | 108.3 Ų | 108.3 | 39% | 0.388 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.6 | -37.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | S311 N312 L317 Q318 M319 | S311-A315 PolarHBondContact O-N 3.39Å; N312-A315 PolarHBondContact O-N 3.01Å; A315-L317 VanDerWaalsContact C-N 3.34Å; A315-Q318 PolarHBondContact O-N 3.01Å; A315-M319 PolarHBondContact O-N 3.33Å |
| 316 | L | 82.1 | Confident | 82.3 | Confident | 107 Ų | 107 | 109.5 Ų | 109.5 | 56% | 0.56 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -67.4 | -34.1 | 176.3 | -164.3 | 146.9 | 0 | 0 | 0 | 112.1 | N312 N313 Q314 A320 | N312-L316 WeakPolarHBondContact O-CB 3.38Å; N312-L316 PolarHBondContact O-N 2.93Å; N313-L316 PolarHBondContact O-N 2.98Å; Q314-L316 VanDerWaalsContact C-N 3.34Å; L316-A320 PolarHBondContact O-N 3.04Å |
| 317 | L | 82 | Confident | 81.8 | Confident | 81 Ų | 81 | 107.3 Ų | 107.3 | 42% | 0.424 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.7 | -43.5 | 169 | -75.4 | 167.7 | 0 | 0 | 0 | 112.2 | N313 Q314 A315 M319 A320 E321 | N313-L317 WeakPolarHBondContact O-CG 3.48Å; N313-L317 PolarHBondContact O-N 3.21Å; Q314-L317 PolarHBondContact O-N 2.88Å; A315-L317 VanDerWaalsContact C-N 3.34Å; L317-M319 PolarHBondContact O-N 3.46Å; L317-A320 WeakPolarHBondContact O-CA 3.46Å; L317-A320 WeakPolarHBondContact O-CB 3.34Å; L317-A320 PolarHBondContact O-N 3.44Å; L317-E321 PolarHBondContact O-N 2.96Å |
| 318 | Q | 81.6 | Confident | 81.3 | Confident | 107 Ų | 107 | 105.1 Ų | 105.1 | 50% | 0.5 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.8 | -43.4 | 176.9 | -73.8 | 173.4 | -30 | 0 | 0 | 112.1 | Q314 A315 A320 E321 E322 | Q314-Q318 WeakPolarHBondContact O-CG 3.48Å; Q314-Q318 PolarHBondContact O-N 2.95Å; A315-Q318 PolarHBondContact O-N 3.01Å; Q318-A320 VanDerWaalsContact C-N 3.26Å; Q318-A320 PolarHBondContact O-N 3.29Å; Q318-E321 PolarHBondContact O-N 3.46Å; Q318-E322 PolarHBondContact O-N 3.28Å |
| 319 | M | 76.4 | Confident | 80.8 | Confident | 142 Ų | 142 | 105 Ų | 105 | 70% | 0.7 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -59.9 | -34.3 | 172.2 | -82.6 | -168.4 | 164.1 | 0 | 0 | 113.1 | A315 L317 K323 | A315-M319 PolarHBondContact O-N 3.33Å; L317-M319 PolarHBondContact O-N 3.46Å; M319-K323 WeakPolarHBondContact O-CB 3.24Å; M319-K323 PolarHBondContact O-N 3.07Å |
| 320 | A | 76.2 | Confident | 80.3 | Confident | 51 Ų | 51 | 103.7 Ų | 103.7 | 42% | 0.421 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -69.9 | -41.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L316 L317 Q318 K323 T324 | L316-A320 PolarHBondContact O-N 3.04Å; L317-A320 WeakPolarHBondContact O-CA 3.46Å; L317-A320 WeakPolarHBondContact O-CB 3.34Å; L317-A320 PolarHBondContact O-N 3.44Å; Q318-A320 VanDerWaalsContact C-N 3.26Å; Q318-A320 PolarHBondContact O-N 3.29Å; A320-K323 PolarHBondContact O-N 3.26Å; A320-T324 WeakPolarHBondContact O-CG2 3.49Å; A320-T324 PolarHBondContact O-N 2.78Å; A320-T324 VanDerWaalsContact O-N 3.07Å |
| 321 | E | 78.6 | Confident | 79.9 | Confident | 127 Ų | 127 | 106.6 Ų | 106.6 | 59% | 0.593 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -61.4 | -51.5 | 175.8 | -70.8 | 179.8 | 161.5 | 0 | 0 | 111.4 | L317 Q318 K323 T324 L325 | L317-E321 PolarHBondContact O-N 2.96Å; Q318-E321 PolarHBondContact O-N 3.46Å; E321-K323 VanDerWaalsContact C-N 3.27Å; E321-K323 PolarHBondContact O-N 3.41Å; E321-T324 PolarHBondContact O-N 3.19Å; E321-T324 VanDerWaalsContact O-N 3.11Å; E321-T324 PolarHBondContact O-OG1 2.96Å; E321-L325 PolarHBondContact O-N 3.21Å |
| 322 | E | 78.5 | Confident | 79.4 | Confident | 142 Ų | 142 | 105.5 Ų | 105.5 | 66% | 0.664 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -55.3 | -41.1 | 176.9 | -72.7 | -166.6 | 155.1 | 0 | 0 | 112.7 | Q318 L325 R326 | Q318-E322 PolarHBondContact O-N 3.28Å; E322-L325 PolarHBondContact O-N 3.11Å; E322-R326 PolarHBondContact O-N 3.01Å |
| 323 | K | 81.4 | Confident | 78.8 | Confident | 137 Ų | 137 | 105.8 Ų | 105.8 | 60% | 0.596 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -61.6 | -49.6 | 175.9 | -178.4 | -178.5 | 175.3 | -177.8 | 0 | 111.7 | M319 A320 E321 L325 R326 D327 | M319-K323 WeakPolarHBondContact O-CB 3.24Å; M319-K323 PolarHBondContact O-N 3.07Å; A320-K323 PolarHBondContact O-N 3.26Å; E321-K323 VanDerWaalsContact C-N 3.27Å; E321-K323 PolarHBondContact O-N 3.41Å; K323-L325 PolarHBondContact O-N 3.22Å; K323-R326 PolarHBondContact O-N 2.98Å; K323-D327 PolarHBondContact O-N 3.01Å |
| 324 | T | 78.8 | Confident | 78.1 | Confident | 96 Ų | 96 | 107.6 Ų | 107.6 | 59% | 0.589 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -61.8 | -32.5 | 179 | 61.6 | 0 | 0 | 0 | 0 | 112.4 | A320 E321 D327 G328 | A320-T324 WeakPolarHBondContact O-CG2 3.49Å; A320-T324 PolarHBondContact O-N 2.78Å; A320-T324 VanDerWaalsContact O-N 3.07Å; E321-T324 PolarHBondContact O-N 3.19Å; E321-T324 VanDerWaalsContact O-N 3.11Å; E321-T324 PolarHBondContact O-OG1 2.96Å; T324-D327 PolarHBondContact O-N 3.33Å; T324-G328 PolarHBondContact O-N 2.88Å |
| 325 | L | 78.9 | Confident | 77.5 | Confident | 110 Ų | 110 | 104.7 Ų | 104.7 | 58% | 0.576 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -69.8 | -42.8 | 177.7 | -155.4 | 146.6 | 0 | 0 | 0 | 111 | E321 E322 K323 G328 H329 | E321-L325 PolarHBondContact O-N 3.21Å; E322-L325 PolarHBondContact O-N 3.11Å; K323-L325 PolarHBondContact O-N 3.22Å; L325-G328 PolarHBondContact O-N 2.76Å; L325-H329 PolarHBondContact O-CD2 2.99Å; L325-H329 PolarHBondContact O-N 3.13Å |
| 326 | R | 74 | Confident | 77 | Confident | 204 Ų | 204 | 109.2 Ų | 109.2 | 77% | 0.77 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -60.8 | -44.7 | 170.4 | -80.7 | -168.2 | 174.4 | -177.7 | 1.4 | 113 | E322 K323 G328 H329 F330 | E322-R326 PolarHBondContact O-N 3.01Å; K323-R326 PolarHBondContact O-N 2.98Å; R326-G328 PolarHBondContact O-N 3.08Å; R326-H329 PolarHBondContact O-N 3.24Å; R326-F330 PolarHBondContact O-N 3.39Å |
| 327 | D | 77.2 | Confident | 76.4 | Confident | 82 Ų | 82 | 109.4 Ų | 109.4 | 44% | 0.439 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61.4 | -34.4 | 177.5 | -72.3 | -21.5 | 0 | 0 | 0 | 111.9 | K323 T324 K331 | K323-D327 PolarHBondContact O-N 3.01Å; T324-D327 PolarHBondContact O-N 3.33Å; D327-K331 WeakPolarHBondContact O-CG 3.44Å; D327-K331 PolarHBondContact O-N 3.35Å; D327-K331 VanDerWaalsContact O-N 3.14Å |
| 328 | G | 75 | Confident | 76 | Confident | 38 Ų | 38 | 109.9 Ų | 109.9 | 39% | 0.392 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64.6 | -47.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | T324 L325 R326 F330 K331 A332 | T324-G328 PolarHBondContact O-N 2.88Å; L325-G328 PolarHBondContact O-N 2.76Å; R326-G328 PolarHBondContact O-N 3.08Å; G328-F330 VanDerWaalsContact C-N 3.32Å; G328-F330 PolarHBondContact O-N 3.34Å; G328-K331 PolarHBondContact O-N 2.94Å; G328-A332 PolarHBondContact O-N 2.94Å |
| 329 | H | 77.1 | Confident | 75.7 | Confident | 127 Ų | 127 | 109.9 Ų | 109.9 | 59% | 0.588 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -60.6 | -39.7 | 174.8 | -87.7 | -99.2 | 0 | 0 | 0 | 112.4 | L325 R326 A332 L333 | L325-H329 PolarHBondContact O-CD2 2.99Å; L325-H329 PolarHBondContact O-N 3.13Å; R326-H329 PolarHBondContact O-N 3.24Å; H329-A332 PolarHBondContact O-N 3.17Å; H329-L333 PolarHBondContact O-N 3.39Å; H329-L333 VanDerWaalsContact O-N 3.1Å |
| 330 | F | 75.9 | Confident | 75.3 | Confident | 137 Ų | 137 | 108.7 Ų | 108.7 | 60% | 0.601 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -62.8 | -48.1 | 177.7 | -169.4 | -89.9 | 0 | 0 | 0 | 111.8 | R326 G328 A332 L333 Q334 | R326-F330 PolarHBondContact O-N 3.39Å; G328-F330 VanDerWaalsContact C-N 3.32Å; G328-F330 PolarHBondContact O-N 3.34Å; F330-A332 VanDerWaalsContact C-N 3.3Å; F330-A332 PolarHBondContact O-N 3.45Å; F330-L333 PolarHBondContact O-N 3.14Å; F330-L333 VanDerWaalsContact O-N 3.16Å; F330-Q334 PolarHBondContact O-N 3.4Å |
| 331 | K | 78.6 | Confident | 74.9 | Confident | 149 Ų | 149 | 110.6 Ų | 110.6 | 65% | 0.648 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -58.6 | -39.6 | 174.6 | -75.7 | 173.5 | 178.4 | 170.5 | 0 | 112.6 | D327 G328 L333 Q334 G335 | D327-K331 WeakPolarHBondContact O-CG 3.44Å; D327-K331 PolarHBondContact O-N 3.35Å; D327-K331 VanDerWaalsContact O-N 3.14Å; G328-K331 PolarHBondContact O-N 2.94Å; K331-L333 VanDerWaalsContact C-N 3.32Å; K331-L333 PolarHBondContact O-N 3.16Å; K331-Q334 PolarHBondContact O-N 3.44Å; K331-G335 PolarHBondContact O-N 3.07Å |
| 332 | A | 74.9 | Confident | 74.7 | Confident | 57 Ų | 57 | 111.7 Ų | 111.7 | 47% | 0.471 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -67.3 | -30 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | G328 H329 F330 K336 | G328-A332 PolarHBondContact O-N 2.94Å; H329-A332 PolarHBondContact O-N 3.17Å; F330-A332 VanDerWaalsContact C-N 3.3Å; F330-A332 PolarHBondContact O-N 3.45Å; A332-K336 WeakPolarHBondContact O-CG 3.44Å |
| 333 | L | 72.7 | Confident | 74 | Confident | 114 Ų | 114 | 109.9 Ų | 109.9 | 60% | 0.597 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -74.7 | -45 | 170.8 | -76.7 | 164.3 | 0 | 0 | 0 | 111.5 | H329 F330 K331 G335 K336 L337 | H329-L333 PolarHBondContact O-N 3.39Å; H329-L333 VanDerWaalsContact O-N 3.1Å; F330-L333 PolarHBondContact O-N 3.14Å; F330-L333 VanDerWaalsContact O-N 3.16Å; K331-L333 VanDerWaalsContact C-N 3.32Å; K331-L333 PolarHBondContact O-N 3.16Å; L333-G335 VanDerWaalsContact C-N 3.34Å; L333-G335 PolarHBondContact O-N 3.1Å; L333-K336 WeakPolarHBondContact O-CB 3.37Å; L333-K336 PolarHBondContact O-N 3.01Å; L333-K336 VanDerWaalsContact O-N 3.14Å; L333-L337 PolarHBondContact O-N 3.07Å |
| 334 | Q | 72.3 | Confident | 73.2 | Confident | 103 Ų | 103 | 107.2 Ų | 107.2 | 48% | 0.481 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -58.9 | -42.9 | 179.7 | -167.5 | 171.2 | 11.3 | 0 | 0 | 112.1 | F330 K331 K336 L337 E338 | F330-Q334 PolarHBondContact O-N 3.4Å; K331-Q334 PolarHBondContact O-N 3.44Å; Q334-K336 VanDerWaalsContact C-N 3.33Å; Q334-K336 PolarHBondContact O-N 3.34Å; Q334-L337 WeakPolarHBondContact O-CB 3.43Å; Q334-L337 PolarHBondContact O-N 3.31Å; Q334-L337 VanDerWaalsContact O-N 3.13Å; Q334-E338 PolarHBondContact O-N 3.32Å; Q334-E338 VanDerWaalsContact O-N 3.08Å |
| 335 | G | 73.4 | Confident | 72.7 | Confident | 41 Ų | 41 | 111 Ų | 111 | 42% | 0.423 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.3 | -31 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | K331 L333 L339 | K331-G335 PolarHBondContact O-N 3.07Å; L333-G335 VanDerWaalsContact C-N 3.34Å; L333-G335 PolarHBondContact O-N 3.1Å; G335-L339 PolarHBondContact O-N 3.36Å |
| 336 | K | 72.3 | Confident | 71.9 | Confident | 142 Ų | 142 | 108.3 Ų | 108.3 | 62% | 0.617 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -69.5 | -36.2 | 172.7 | -70.1 | 172.8 | -178.2 | 179.5 | 0 | 111.5 | A332 L333 Q334 L339 L340 | A332-K336 WeakPolarHBondContact O-CG 3.44Å; L333-K336 WeakPolarHBondContact O-CB 3.37Å; L333-K336 PolarHBondContact O-N 3.01Å; L333-K336 VanDerWaalsContact O-N 3.14Å; Q334-K336 VanDerWaalsContact C-N 3.33Å; Q334-K336 PolarHBondContact O-N 3.34Å; K336-L339 PolarHBondContact O-N 3.07Å; K336-L340 PolarHBondContact O-N 3.46Å |
| 337 | L | 69.6 | Low | 71.3 | Confident | 111 Ų | 111 | 103.9 Ų | 103.9 | 58% | 0.581 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -66.8 | -46.4 | 179.1 | -146.9 | 167.4 | 0 | 0 | 0 | 110.9 | L333 Q334 L339 L340 E341 | L333-L337 PolarHBondContact O-N 3.07Å; Q334-L337 WeakPolarHBondContact O-CB 3.43Å; Q334-L337 PolarHBondContact O-N 3.31Å; Q334-L337 VanDerWaalsContact O-N 3.13Å; L337-L339 VanDerWaalsContact C-N 3.27Å; L337-L339 PolarHBondContact O-N 2.67Å; L337-L340 WeakPolarHBondContact O-CB 3.48Å; L337-L340 PolarHBondContact O-N 3.24Å; L337-E341 HydrophobicContact CD2-CG 4.45Å; L337-E341 PolarHBondContact O-N 2.97Å |
| 338 | E | 72.5 | Confident | 70.5 | Confident | 91 Ų | 91 | 105 Ų | 105 | 43% | 0.425 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.1 | -33.2 | 174.5 | -65.8 | -169 | -164.6 | 0 | 0 | 113.6 | Q334 E341 R342 | Q334-E338 PolarHBondContact O-N 3.32Å; Q334-E338 VanDerWaalsContact O-N 3.08Å; E338-E341 PolarHBondContact O-N 3.4Å; E338-R342 VanDerWaalsContact CB-NH1 3.29Å; E338-R342 WeakPolarHBondContact O-CG 3.27Å; E338-R342 PolarHBondContact O-N 3.47Å; E338-R342 IonicContact OE2-CZ 2.59Å; E338-R342 VanDerWaalsContact OE2-CZ 3.29Å; E338-R342 IonicContact OE2-NH1 3.86Å; E338-R342 PolarHBondContact OE2-NH1 3.41Å; E338-R342 IonicContact OE2-NH2 2.61Å; E338-R342 PolarHBondContact OE2-NH2 3.39Å |
| 339 | L | 74.9 | Confident | 70.2 | Confident | 106 Ų | 106 | 109.7 Ų | 109.7 | 56% | 0.555 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -68.9 | -39.6 | 179.4 | -168.9 | 67.4 | 0 | 0 | 0 | 111 | G335 K336 L337 R342 L343 | G335-L339 PolarHBondContact O-N 3.36Å; K336-L339 PolarHBondContact O-N 3.07Å; L337-L339 VanDerWaalsContact C-N 3.27Å; L337-L339 PolarHBondContact O-N 2.67Å; L339-R342 PolarHBondContact O-N 3.03Å; L339-L343 PolarHBondContact O-N 3.05Å |
| 340 | L | 68.1 | Low | 69.4 | Low | 118 Ų | 118 | 110.1 Ų | 110.1 | 62% | 0.618 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -60.3 | -45.5 | 170.4 | -111.7 | 68.1 | 0 | 0 | 0 | 111.5 | K336 L337 R342 L343 C344 | K336-L340 PolarHBondContact O-N 3.46Å; L337-L340 WeakPolarHBondContact O-CB 3.48Å; L337-L340 PolarHBondContact O-N 3.24Å; L340-R342 PolarHBondContact O-N 3.43Å; L340-L343 PolarHBondContact O-N 3.24Å; L340-C344 PolarHBondContact O-N 3.3Å; L340-C344 PolarHBondContact O-SG 3.18Å |
| 341 | E | 67.4 | Low | 68.6 | Low | 91 Ų | 91 | 110.6 Ų | 110.6 | 43% | 0.425 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -60.2 | -42.7 | 177 | -77.1 | -157.1 | -170.6 | 0 | 0 | 113 | L337 E338 L343 C344 R345 | L337-E341 HydrophobicContact CD2-CG 4.45Å; L337-E341 PolarHBondContact O-N 2.97Å; E338-E341 PolarHBondContact O-N 3.4Å; E341-L343 VanDerWaalsContact C-N 3.34Å; E341-L343 PolarHBondContact O-N 3.44Å; E341-C344 PolarHBondContact O-N 3.38Å; E341-R345 WeakPolarHBondContact O-CB 3.5Å; E341-R345 VanDerWaalsContact O-CG 3.27Å; E341-R345 WeakPolarHBondContact O-CG 3.44Å; E341-R345 PolarHBondContact O-N 3.14Å; E341-R345 IonicContact OE2-CZ 2.67Å; E341-R345 IonicContact OE2-NE 2.71Å; E341-R345 IonicContact OE2-NH2 3.6Å; E341-R345 PolarHBondContact OE2-NH2 3.37Å |
| 342 | R | 74.6 | Confident | 67.8 | Low | 149 Ų | 149 | 107.3 Ų | 107.3 | 56% | 0.562 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -61.2 | -42.6 | 177.7 | -74 | -178.7 | -178.1 | 91.4 | 1.2 | 111.5 | E338 L339 L340 R345 A346 | E338-R342 VanDerWaalsContact CB-NH1 3.29Å; E338-R342 WeakPolarHBondContact O-CG 3.27Å; E338-R342 PolarHBondContact O-N 3.47Å; E338-R342 IonicContact OE2-CZ 2.59Å; E338-R342 VanDerWaalsContact OE2-CZ 3.29Å; E338-R342 IonicContact OE2-NH1 3.86Å; E338-R342 PolarHBondContact OE2-NH1 3.41Å; E338-R342 IonicContact OE2-NH2 2.61Å; E338-R342 PolarHBondContact OE2-NH2 3.39Å; L339-R342 PolarHBondContact O-N 3.03Å; L340-R342 PolarHBondContact O-N 3.43Å; R342-R345 PolarHBondContact O-N 3.29Å; R342-A346 PolarHBondContact O-N 2.74Å |
| 343 | L | 64.7 | Low | 67.1 | Low | 105 Ų | 105 | 108.7 Ų | 108.7 | 55% | 0.55 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.5 | -47.5 | 175.4 | -94 | 156.2 | 0 | 0 | 0 | 112.5 | L339 L340 E341 R345 A346 L347 | L339-L343 PolarHBondContact O-N 3.05Å; L340-L343 PolarHBondContact O-N 3.24Å; E341-L343 VanDerWaalsContact C-N 3.34Å; E341-L343 PolarHBondContact O-N 3.44Å; L343-R345 VanDerWaalsContact C-N 3.33Å; L343-R345 PolarHBondContact O-N 3.17Å; L343-A346 PolarHBondContact O-N 3.26Å; L343-L347 PolarHBondContact O-N 3.46Å; L343-L347 VanDerWaalsContact O-N 3.17Å |
| 344 | C | 63.9 | Low | 66.4 | Low | 81 Ų | 81 | 109.1 Ų | 109.1 | 55% | 0.547 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61 | -39.7 | 177.1 | -71 | 0 | 0 | 0 | 0 | 112.4 | L340 E341 Q348 | L340-C344 PolarHBondContact O-N 3.3Å; L340-C344 PolarHBondContact O-SG 3.18Å; E341-C344 PolarHBondContact O-N 3.38Å; C344-Q348 WeakPolarHBondContact O-CB 3.48Å; C344-Q348 PolarHBondContact O-N 3.42Å |
| 345 | R | 69.3 | Low | 65.5 | Low | 174 Ų | 174 | 107.8 Ų | 107.8 | 66% | 0.657 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -69 | -33 | 177.3 | -68 | 174 | -163.3 | -142.3 | 10 | 112.8 | E341 R342 L343 K349 | E341-R345 WeakPolarHBondContact O-CB 3.5Å; E341-R345 VanDerWaalsContact O-CG 3.27Å; E341-R345 WeakPolarHBondContact O-CG 3.44Å; E341-R345 PolarHBondContact O-N 3.14Å; E341-R345 IonicContact OE2-CZ 2.67Å; E341-R345 IonicContact OE2-NE 2.71Å; E341-R345 IonicContact OE2-NH2 3.6Å; E341-R345 PolarHBondContact OE2-NH2 3.37Å; R342-R345 PolarHBondContact O-N 3.29Å; L343-R345 VanDerWaalsContact C-N 3.33Å; L343-R345 PolarHBondContact O-N 3.17Å; R345-K349 PolarHBondContact O-N 3.21Å |
| 346 | A | 62.6 | Low | 64.6 | Low | 54 Ų | 54 | 111 Ų | 111 | 45% | 0.446 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.5 | -51.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | R342 L343 Q348 K349 | R342-A346 PolarHBondContact O-N 2.74Å; L343-A346 PolarHBondContact O-N 3.26Å; A346-Q348 PolarHBondContact O-N 3.35Å; A346-K349 WeakPolarHBondContact O-CB 3.42Å; A346-K349 PolarHBondContact O-N 3.31Å |
| 347 | L | 61.3 | Low | 63.6 | Low | 112 Ų | 112 | 112.4 Ų | 112.4 | 59% | 0.586 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -59.9 | -31.1 | 177.7 | -68.9 | 167.5 | 0 | 0 | 0 | 112.7 | L343 K349 | L343-L347 PolarHBondContact O-N 3.46Å; L343-L347 VanDerWaalsContact O-N 3.17Å; L347-K349 VanDerWaalsContact C-N 3.28Å; L347-K349 PolarHBondContact O-N 3.28Å |
| 348 | Q | 59.7 | Low | 62.4 | Low | 105 Ų | 105 | 114.3 Ų | 114.3 | 49% | 0.491 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -68.5 | -25.8 | 175.2 | -138.2 | 75.8 | -56 | 0 | 0 | 113.4 | C344 A346 | C344-Q348 WeakPolarHBondContact O-CB 3.48Å; C344-Q348 PolarHBondContact O-N 3.42Å; A346-Q348 PolarHBondContact O-N 3.35Å |
| 349 | K | 68.4 | Low | 61 | Low | 137 Ų | 137 | 113.9 Ų | 113.9 | 60% | 0.596 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -83.9 | -51.4 | -172.9 | -166.9 | -174.6 | 174.6 | -168.4 | 0 | 112.5 | R345 A346 L347 R351 N352 D353 | R345-K349 PolarHBondContact O-N 3.21Å; A346-K349 WeakPolarHBondContact O-CB 3.42Å; A346-K349 PolarHBondContact O-N 3.31Å; L347-K349 VanDerWaalsContact C-N 3.28Å; L347-K349 PolarHBondContact O-N 3.28Å; K349-R351 PolarHBondContact O-N 3.11Å; K349-N352 PolarHBondContact O-N 3.38Å; K349-D353 PolarHBondContact O-N 2.93Å |
| 350 | E | 60.6 | Low | 59.4 | Low | 136 Ų | 136 | 116.5 Ų | 116.5 | 64% | 0.636 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -57.7 | -37.7 | 179.6 | -63.6 | -175.8 | 132.7 | 0 | 0 | 111.9 | N352 D353 L354 | E350-N352 VanDerWaalsContact C-N 3.27Å; E350-N352 PolarHBondContact O-N 3.03Å; E350-D353 PolarHBondContact O-N 3.35Å; E350-L354 PolarHBondContact O-N 3.23Å; E350-L354 VanDerWaalsContact O-N 3.17Å |
| 351 | R | 59.3 | Low | 57.9 | Low | 147 Ų | 147 | 118.8 Ų | 118.8 | 56% | 0.555 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -64.4 | -25.8 | 175.7 | -178.4 | -98.4 | -71 | -156.4 | -6.2 | 113.7 | K349 | K349-R351 PolarHBondContact O-N 3.11Å |
| 352 | N | 60.5 | Low | 55.9 | Low | 79 Ų | 79 | 122 Ų | 122 | 42% | 0.422 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -87.2 | -40.3 | 174.9 | -71.9 | -6.1 | 0 | 0 | 0 | 111.8 | K349 E350 L354 S355 N356 | K349-N352 PolarHBondContact O-N 3.38Å; E350-N352 VanDerWaalsContact C-N 3.27Å; E350-N352 PolarHBondContact O-N 3.03Å; N352-L354 PolarHBondContact O-N 3.46Å; N352-S355 WeakPolarHBondContact O-CB 3.49Å; N352-S355 PolarHBondContact O-N 3.44Å; N352-S355 VanDerWaalsContact O-N 3.11Å; N352-N356 PolarHBondContact O-N 2.95Å; N352-N356 PolarHBondContact O-ND2 3.17Å |
| 353 | D | 61.5 | Low | 53.5 | Low | 86 Ų | 86 | 122.7 Ų | 122.7 | 46% | 0.46 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -65.1 | -38.7 | -177.4 | -70.6 | -27 | 0 | 0 | 0 | 111.7 | K349 E350 | K349-D353 PolarHBondContact O-N 2.93Å; E350-D353 PolarHBondContact O-N 3.35Å |
| 354 | L | 57.3 | Low | 51.6 | Low | 123 Ų | 123 | 126.1 Ų | 126.1 | 64% | 0.644 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -67.3 | -34.3 | 171 | -73.6 | 169.6 | 0 | 0 | 0 | 113.1 | E350 N352 N356 | E350-L354 PolarHBondContact O-N 3.23Å; E350-L354 VanDerWaalsContact O-N 3.17Å; N352-L354 PolarHBondContact O-N 3.46Å; L354-N356 PolarHBondContact O-N 3.23Å |
| 355 | S | 54.1 | Low | 49.7 | Very low | 75 Ų | 75 | 133.3 Ų | 133.3 | 52% | 0.524 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -66.7 | -25 | -179.8 | -170.7 | 0 | 0 | 0 | 0 | 113.1 | N352 | N352-S355 WeakPolarHBondContact O-CB 3.49Å; N352-S355 PolarHBondContact O-N 3.44Å; N352-S355 VanDerWaalsContact O-N 3.11Å |
| 356 | N | 54.5 | Low | 47.6 | Very low | 109 Ų | 109 | 130.4 Ų | 130.4 | 58% | 0.583 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -78 | -35.5 | -177.2 | -73.7 | -40 | 0 | 0 | 0 | 112.7 | N352 L354 L358 S359 | N352-N356 PolarHBondContact O-N 2.95Å; N352-N356 PolarHBondContact O-ND2 3.17Å; L354-N356 PolarHBondContact O-N 3.23Å; N356-L358 VanDerWaalsContact C-N 3.32Å; N356-L358 PolarHBondContact O-N 3.2Å; N356-S359 PolarHBondContact O-N 3.42Å; N356-S359 PolarHBondContact O-OG 2.98Å |
| 357 | Q | 51.6 | Low | 45.9 | Very low | 172 Ų | 172 | 136.7 Ų | 136.7 | 80% | 0.804 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -72.3 | -23.4 | -177.4 | -67.5 | -169.7 | -9.2 | 0 | 0 | 113.7 | S359 | Q357-S359 VanDerWaalsContact C-N 3.3Å; Q357-S359 PolarHBondContact O-N 3.17Å |
| 358 | L | 44 | Very low | 44.5 | Very low | 150 Ų | 150 | 134.6 Ų | 134.6 | 79% | 0.785 | 67% | 0.672 | S | S | * | * | G | 310 helix | trans | -79.6 | -6 | 177 | -73.5 | 165.6 | 0 | 0 | 0 | 114 | N356 | N356-L358 VanDerWaalsContact C-N 3.32Å; N356-L358 PolarHBondContact O-N 3.2Å |
| 359 | S | 42.8 | Very low | 44.3 | Very low | 83 Ų | 83 | 135.6 Ų | 135.6 | 58% | 0.58 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -85.3 | -13 | -168.6 | 67.8 | 0 | 0 | 0 | 0 | 116.2 | N356 Q357 | N356-S359 PolarHBondContact O-N 3.42Å; N356-S359 PolarHBondContact O-OG 2.98Å; Q357-S359 VanDerWaalsContact C-N 3.3Å; Q357-S359 PolarHBondContact O-N 3.17Å |
| 360 | L | 41.6 | Very low | 43.1 | Very low | 160 Ų | 160 | 135.3 Ų | 135.3 | 84% | 0.838 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -103.2 | 3.6 | -170.9 | -127.8 | 77.2 | 0 | 0 | 0 | 115.9 | ||
| 361 | L | 35.8 | Very low | 43 | Very low | 166 Ų | 166 | 134 Ų | 134 | 87% | 0.869 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -128.4 | 58.3 | 174.4 | -80.9 | 173.9 | 0 | 0 | 0 | 112.5 | ||
| 362 | Q | 26.4 | Very low | 42.7 | Very low | 160 Ų | 160 | 133 Ų | 133 | 75% | 0.748 | 71% | 0.713 | S | S | * | * | trans | 57.1 | 127.4 | 144.3 | -171.4 | 165.5 | -17.5 | 0 | 0 | 120.3 | ||||
| 363 | E | 24.3 | Very low | 41.4 | Very low | 162 Ų | 162 | 132.7 Ų | 132.7 | 76% | 0.757 | 73% | 0.728 | S | S | * | * | trans | 68.1 | 132.1 | 170.7 | -71.8 | 176.6 | -177.3 | 0 | 0 | 115.2 | ||||
| 364 | Q | 23.9 | Very low | 41 | Very low | 177 Ų | 177 | 135.3 Ų | 135.3 | 83% | 0.827 | 75% | 0.75 | S | S | * | * | cis | -150.2 | 170.1 | 34.1 | -67.3 | -178.6 | 2.6 | 0 | 0 | 114.7 | ||||
| 365 | R | 23.7 | Very low | 39.9 | Very low | 232 Ų | 232 | 132.6 Ų | 132.6 | 88% | 0.875 | 75% | 0.752 | S | S | * | * | trans | -11.7 | 163.7 | 145.4 | -78.9 | -170.2 | 177.7 | 176.3 | -0.5 | 119.1 | ||||
| 366 | D | 25.7 | Very low | 39 | Very low | 114 Ų | 114 | 137 Ų | 137 | 61% | 0.61 | 76% | 0.764 | S | S | * | * | cis | 174.6 | 156.5 | -8 | 172.7 | 24.9 | 0 | 0 | 0 | 107.2 | ||||
| 367 | K | 28.1 | Very low | 38 | Very low | 186 Ų | 186 | 138.6 Ų | 138.6 | 81% | 0.809 | 77% | 0.767 | S | S | * | * | trans | 65.6 | 161.6 | 174.6 | -36.9 | -169 | -174.3 | -174.1 | 0 | 115.8 | ||||
| 368 | G | 31.2 | Very low | 36.9 | Very low | 68 Ų | 68 | 138.1 Ų | 138.1 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | cis | -165.6 | -178.8 | 1.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 369 | P | 55.7 | Low | 36.1 | Very low | 125 Ų | 125 | 134.8 Ų | 134.8 | 81% | 0.812 | 76% | 0.76 | S | S | * | * | trans | -133.3 | -171.4 | -152.6 | 35.6 | -14.7 | 0 | 0 | 0 | 117.9 | ||||
| 370 | V | 42.3 | Very low | 35.4 | Very low | 131 Ų | 131 | 138.7 Ų | 138.7 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | trans | 88.3 | -175.8 | 159.8 | -129.3 | 0 | 0 | 0 | 0 | 118 | ||||
| 371 | P | 58.2 | Low | 36.2 | Very low | 110 Ų | 110 | 135.8 Ų | 135.8 | 71% | 0.714 | 76% | 0.764 | S | S | * | * | -125.4 | -133.2 | -123.2 | 47.2 | -26.6 | 0 | 0 | 0 | 112.9 | |||||
| 372 | P | 54 | Low | 35.8 | Very low | 126 Ų | 126 | 134.4 Ų | 134.4 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | cis | -128.6 | -166.6 | -35.6 | 39.8 | -22.4 | 0 | 0 | 0 | 113.5 | ||||
| 373 | G | 32.5 | Very low | 35.9 | Very low | 71 Ų | 71 | 133.7 Ų | 133.7 | 73% | 0.732 | 75% | 0.751 | S | S | * | * | trans | 163.3 | 132.8 | 159.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 374 | P | 52.7 | Low | 36 | Very low | 141 Ų | 141 | 133 Ų | 133 | 92% | 0.916 | 75% | 0.752 | S | S | * | * | trans | -132.8 | 174.8 | -179.8 | 43.3 | -30.2 | 0 | 0 | 0 | 117.1 | ||||
| 375 | G | 36.1 | Very low | 36.2 | Very low | 67 Ų | 67 | 133.5 Ų | 133.5 | 69% | 0.691 | 76% | 0.755 | S | S | * | * | trans | 149.8 | 123.7 | 149.8 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 376 | Q | 34 | Very low | 36.7 | Very low | 167 Ų | 167 | 131.5 Ų | 131.5 | 78% | 0.78 | 76% | 0.755 | S | S | * | * | trans | 61.4 | 170.5 | 148.1 | -63.6 | -171.4 | -106.4 | 0 | 0 | 120.2 | ||||
| 377 | H | 33.2 | Very low | 36.7 | Very low | 142 Ų | 142 | 133.8 Ų | 133.8 | 66% | 0.657 | 77% | 0.768 | S | S | * | * | cis | -163.7 | -172.4 | -32.8 | -96.1 | -164.8 | 0 | 0 | 0 | 107.4 | ||||
| 378 | E | 28 | Very low | 37.3 | Very low | 163 Ų | 163 | 133.5 Ų | 133.5 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | cis | -146.6 | -137.9 | 12.6 | -151.5 | 99.6 | -121.4 | 0 | 0 | 111.8 | ||||
| 379 | A | 28.3 | Very low | 37.4 | Very low | 80 Ų | 80 | 139 Ų | 139 | 66% | 0.661 | 78% | 0.776 | S | S | * | * | trans | -154.8 | 152.2 | -162.1 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 380 | L | 27.4 | Very low | 36.4 | Very low | 164 Ų | 164 | 141.4 Ų | 141.4 | 86% | 0.859 | 78% | 0.777 | S | S | * | * | trans | 57.6 | 174.1 | 138.2 | -71.8 | 178 | 0 | 0 | 0 | 122.3 | ||||
| 381 | P | 58.9 | Low | 35.9 | Very low | 99 Ų | 99 | 141.5 Ų | 141.5 | 64% | 0.643 | 77% | 0.773 | S | S | * | * | cis | -136.4 | -150.4 | -28.9 | 33 | -9 | 0 | 0 | 0 | 114.2 | ||||
| 382 | M | 27.3 | Very low | 34.7 | Very low | 137 Ų | 137 | 141.3 Ų | 141.3 | 68% | 0.675 | 77% | 0.774 | S | S | * | * | trans | 87.6 | 137.2 | 167.9 | -43.3 | -53.3 | -73.9 | 0 | 0 | 116.7 | ||||
| 383 | E | 28.4 | Very low | 33.9 | Very low | 145 Ų | 145 | 142.8 Ų | 142.8 | 68% | 0.678 | 77% | 0.77 | S | S | * | * | cis | 73.3 | 136.5 | 33.1 | -56.9 | 165.5 | -168 | 0 | 0 | 111.9 | ||||
| 384 | D | 26.3 | Very low | 33.8 | Very low | 147 Ų | 147 | 147.2 Ų | 147.2 | 79% | 0.786 | 78% | 0.777 | S | S | * | * | cis | -158.4 | -163.4 | -1.9 | -123.9 | -19 | 0 | 0 | 0 | 110.9 | ||||
| 385 | E | 29 | Very low | 33 | Very low | 189 Ų | 189 | 146.8 Ų | 146.8 | 88% | 0.883 | 77% | 0.767 | S | S | * | * | trans | 114.5 | 125 | 153.2 | -61.8 | -170.2 | 166.9 | 0 | 0 | 119.4 | ||||
| 386 | E | 33.6 | Very low | 32.9 | Very low | 189 Ų | 189 | 148.4 Ų | 148.4 | 88% | 0.883 | 77% | 0.773 | S | S | * | * | trans | -93.9 | 166.6 | 166.5 | -56.3 | 168.6 | 130.1 | 0 | 0 | 108.5 | ||||
| 387 | D | 25.5 | Very low | 32.8 | Very low | 162 Ų | 162 | 147.6 Ų | 147.6 | 87% | 0.866 | 77% | 0.769 | S | S | * | * | -175.5 | 169.3 | 119.6 | -121.8 | -39.3 | 0 | 0 | 0 | 113.5 | |||||
| 388 | E | 40.3 | Very low | 32.8 | Very low | 180 Ų | 180 | 148.4 Ų | 148.4 | 84% | 0.841 | 78% | 0.778 | S | S | * | * | trans | -105.2 | -138.6 | -177.6 | -57 | -162.3 | 137.4 | 0 | 0 | 114.2 | ||||
| 389 | E | 33.1 | Very low | 33.3 | Very low | 183 Ų | 183 | 147.1 Ų | 147.1 | 86% | 0.855 | 77% | 0.772 | S | S | * | * | trans | 66.7 | 157.9 | 178.7 | -60.4 | -167.1 | -176 | 0 | 0 | 118.7 | ||||
| 390 | E | 35.2 | Very low | 33.7 | Very low | 176 Ų | 176 | 150.5 Ų | 150.5 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | 176 | 162 | -52.7 | -106.7 | -151.5 | 149.8 | 0 | 0 | 107.6 | |||||
| 391 | D | 32.3 | Very low | 34.3 | Very low | 134 Ų | 134 | 149.2 Ų | 149.2 | 72% | 0.717 | 77% | 0.768 | S | S | * | * | trans | 67.2 | 174.4 | 149.4 | -147.8 | 19.8 | 0 | 0 | 0 | 123.4 | ||||
| 392 | S | 33.6 | Very low | 33.4 | Very low | 105 Ų | 105 | 152.5 Ų | 152.5 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | trans | 70.5 | 105.9 | -168.7 | 65.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 393 | E | 36.8 | Very low | 33.9 | Very low | 157 Ų | 157 | 149.5 Ų | 149.5 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | 61.8 | 124.9 | 52.9 | -59.3 | -149.9 | 139.4 | 0 | 0 | 115.1 | |||||
| 394 | D | 30.7 | Very low | 34.3 | Very low | 164 Ų | 164 | 148.2 Ų | 148.2 | 88% | 0.877 | 78% | 0.777 | S | S | * | * | -154.5 | 159.6 | 122.8 | -149.3 | -17 | 0 | 0 | 0 | 110.4 | |||||
| 395 | L | 34.7 | Very low | 34.8 | Very low | 133 Ų | 133 | 150.1 Ų | 150.1 | 70% | 0.696 | 78% | 0.781 | S | S | * | * | trans | -117.8 | 149.1 | -164.4 | -72.1 | 161.8 | 0 | 0 | 0 | 113.5 | ||||
| 396 | A | 34.3 | Very low | 35.2 | Very low | 100 Ų | 100 | 149.1 Ų | 149.1 | 83% | 0.826 | 78% | 0.777 | S | S | * | * | trans | -161.2 | 114.1 | 148.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 397 | H | 32.5 | Very low | 36.5 | Very low | 151 Ų | 151 | 144.9 Ų | 144.9 | 70% | 0.699 | 77% | 0.765 | S | S | * | * | trans | -91.9 | 153.7 | 161 | -90.1 | 35.1 | 0 | 0 | 0 | 110 | ||||
| 398 | N | 33.1 | Very low | 38.3 | Very low | 158 Ų | 158 | 141.8 Ų | 141.8 | 85% | 0.845 | 75% | 0.754 | S | S | * | * | -164.7 | 142.8 | 113.4 | -115.7 | 35.9 | 0 | 0 | 0 | 114.6 | |||||
| 399 | E | 38.5 | Very low | 38.4 | Very low | 136 Ų | 136 | 141 Ų | 141 | 64% | 0.636 | 75% | 0.751 | S | S | * | * | trans | -72.5 | 175.8 | 170.9 | -78.9 | 147.2 | 147.8 | 0 | 0 | 112.5 | ||||
| 400 | E | 37.3 | Very low | 38.7 | Very low | 152 Ų | 152 | 140.1 Ų | 140.1 | 71% | 0.71 | 75% | 0.746 | S | S | * | * | cis | -158.9 | 158 | 3.6 | -119.5 | 168.9 | 154.6 | 0 | 0 | 108.3 | ||||
| 401 | L | 39.5 | Very low | 38.9 | Very low | 136 Ų | 136 | 135.6 Ų | 135.6 | 71% | 0.712 | 74% | 0.739 | S | S | * | * | 50.6 | 149.2 | 91 | -50.3 | -173.7 | 0 | 0 | 0 | 116.6 | |||||
| 402 | E | 39.8 | Very low | 39 | Very low | 168 Ų | 168 | 133.8 Ų | 133.8 | 79% | 0.785 | 74% | 0.742 | S | S | * | * | cis | -161.7 | 167.5 | -1.9 | -131 | -178.2 | 178.6 | 0 | 0 | 115.6 | ||||
| 403 | A | 37.5 | Very low | 39.2 | Very low | 75 Ų | 75 | 136 Ų | 136 | 62% | 0.62 | 75% | 0.746 | S | S | * | * | trans | 42.9 | 136.3 | 141.3 | 0 | 0 | 0 | 0 | 0 | 128.6 | ||||
| 404 | C | 35.9 | Very low | 39.4 | Very low | 118 Ų | 118 | 137.3 Ų | 137.3 | 80% | 0.797 | 75% | 0.749 | S | S | * | * | trans | 57.5 | 166.4 | 133.5 | -59.6 | 0 | 0 | 0 | 0 | 123 | ||||
| 405 | E | 38.1 | Very low | 40.4 | Very low | 186 Ų | 186 | 135.3 Ų | 135.3 | 87% | 0.869 | 75% | 0.745 | S | S | * | * | cis | -155.1 | -166.9 | 7 | -140.6 | 171.9 | -151.9 | 0 | 0 | 115.3 | ||||
| 406 | E | 36.4 | Very low | 40.5 | Very low | 169 Ų | 169 | 135 Ų | 135 | 79% | 0.79 | 75% | 0.749 | S | S | * | * | trans | -67.9 | -160.3 | -166.4 | -104.2 | -161.9 | 169 | 0 | 0 | 121.9 | ||||
| 407 | P | 62.3 | Low | 40.7 | Very low | 99 Ų | 99 | 136.9 Ų | 136.9 | 64% | 0.643 | 75% | 0.75 | S | S | * | * | cis | -126.6 | -63 | -26.7 | 21.9 | -5.4 | 0 | 0 | 0 | 126.1 | ||||
| 408 | P | 63.3 | Low | 40.8 | Very low | 97 Ų | 97 | 134.3 Ų | 134.3 | 63% | 0.63 | 76% | 0.756 | S | S | * | * | -128.7 | 149.2 | -104.2 | 35.3 | -18.7 | 0 | 0 | 0 | 123.4 | |||||
| 409 | Q | 42.4 | Very low | 41.3 | Very low | 164 Ų | 164 | 131.9 Ų | 131.9 | 77% | 0.766 | 76% | 0.757 | S | S | * | * | 90.8 | 140.2 | 127.9 | -82.6 | 175.4 | 7.4 | 0 | 0 | 129.4 | |||||
| 410 | H | 38.8 | Very low | 41.2 | Very low | 165 Ų | 165 | 130.1 Ų | 130.1 | 76% | 0.764 | 77% | 0.766 | S | S | * | * | trans | 67.7 | 161.6 | 147.6 | -71.7 | -58.3 | 0 | 0 | 0 | 123.9 | ||||
| 411 | A | 38.2 | Very low | 41.5 | Very low | 81 Ų | 81 | 129.4 Ų | 129.4 | 67% | 0.669 | 77% | 0.772 | S | S | * | * | cis | -178.7 | 150.1 | -46.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 412 | A | 36.4 | Very low | 42.9 | Very low | 95 Ų | 95 | 128.1 Ų | 128.1 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | trans | 60.5 | 170.4 | 158.8 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 413 | D | 37.2 | Very low | 43.8 | Very low | 153 Ų | 153 | 125.7 Ų | 125.7 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | cis | -154.6 | -175.3 | -10 | -145 | -35.6 | 0 | 0 | 0 | 112 | ||||
| 414 | K | 41.6 | Very low | 44.3 | Very low | 184 Ų | 184 | 127.8 Ų | 127.8 | 80% | 0.8 | 78% | 0.776 | S | S | * | * | trans | -88.7 | 164.3 | 175.9 | -56.3 | 176.5 | -179.2 | 172.1 | 0 | 113.8 | ||||
| 415 | P | 51.4 | Low | 45.3 | Very low | 121 Ų | 121 | 133.3 Ų | 133.3 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | -142.5 | -168 | 91.2 | 31.2 | -8.3 | 0 | 0 | 0 | 112.1 | |||||
| 416 | T | 36.6 | Very low | 45.8 | Very low | 127 Ų | 127 | 131.9 Ų | 131.9 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | cis | -157.7 | 163.8 | 27.5 | -49.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 417 | T | 37.8 | Very low | 46.7 | Very low | 139 Ų | 139 | 131 Ų | 131 | 85% | 0.853 | 78% | 0.778 | S | S | * | * | trans | -94 | 171.2 | 177.9 | 44.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 418 | A | 35.4 | Very low | 46.1 | Very low | 98 Ų | 98 | 137.2 Ų | 137.2 | 81% | 0.81 | 81% | 0.805 | S | S | * | * | trans | -146.2 | 138.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 419 | A | 42 | Very low | 45.3 | Very low | 106 Ų | 106 | 139.2 Ų | 139.2 | 88% | 0.876 | 81% | 0.814 | S | S | * | * | trans | 46.7 | 129.7 | 150 | 0 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 420 | A | 37.8 | Very low | 45.4 | Very low | 99 Ų | 99 | 137.9 Ų | 137.9 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | trans | -160.7 | 147.7 | 142.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 421 | T | 43.3 | Very low | 45.8 | Very low | 137 Ų | 137 | 136.4 Ų | 136.4 | 84% | 0.84 | 82% | 0.819 | S | S | * | * | trans | -147.8 | -178.5 | 176.4 | -24.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 422 | P | 67.6 | Low | 46.3 | Very low | 110 Ų | 110 | 139.6 Ų | 139.6 | 71% | 0.714 | 83% | 0.828 | S | S | * | * | -90 | -171 | -116.7 | 44.1 | -31.6 | 0 | 0 | 0 | 115.5 | |||||
| 423 | P | 58.7 | Low | 46.9 | Very low | 117 Ų | 117 | 142.4 Ų | 142.4 | 76% | 0.76 | 83% | 0.831 | S | S | * | * | trans | -143.4 | 127.9 | 131.1 | 35.4 | -19.9 | 0 | 0 | 0 | 117.6 | ||||
| 424 | T | 49.5 | Very low | 47.5 | Very low | 119 Ų | 119 | 141.7 Ų | 141.7 | 73% | 0.73 | 83% | 0.832 | S | S | * | * | 47.9 | 117.2 | 113.9 | -41.4 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 425 | R | 55.5 | Low | 47.9 | Very low | 233 Ų | 233 | 138.7 Ų | 138.7 | 88% | 0.879 | 83% | 0.834 | S | S | * | * | trans | 42.1 | 139.8 | 142.6 | -63.8 | 179.2 | 170 | -175.8 | -4.8 | 123.2 | ||||
| 426 | L | 50.4 | Low | 47.7 | Very low | 156 Ų | 156 | 140.1 Ų | 140.1 | 82% | 0.817 | 84% | 0.838 | S | S | * | * | -158.9 | 168.1 | 113.8 | -96.8 | 160.3 | 0 | 0 | 0 | 106.8 | |||||
| 427 | L | 54.7 | Low | 48.6 | Very low | 151 Ų | 151 | 141.2 Ų | 141.2 | 79% | 0.791 | 84% | 0.843 | S | S | * | * | cis | -137.5 | 156.2 | 24.9 | -70 | 156.3 | 0 | 0 | 0 | 111.9 | ||||
| 428 | D | 50.4 | Low | 49.6 | Very low | 229 Ų | 229 | 141.4 Ų | 141.4 | 100% | 1.225 | 84% | 0.842 | S | S | * | * | -104.7 | 0 | 127.5 | -88.8 | -54.9 | 0 | 0 | 0 | 106.2 |
Retrieved 428 of 428 residues in 874.6 ms
(Link to these results)