| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 34 | Very low | 38 | Very low | 224 Ų | 224 | 139.8 Ų | 139.8 | 100% | 1.103 | 75% | 0.751 | S | S | * | * | 0 | 122.4 | 0 | -174.1 | -172.5 | -63.9 | 0 | 0 | 106.6 | |||||
| 2 | L | 36.3 | Very low | 37.5 | Very low | 148 Ų | 148 | 143.5 Ų | 143.5 | 78% | 0.775 | 76% | 0.756 | S | S | * | * | trans | 36.8 | 135.4 | 152.9 | -56 | 175.7 | 0 | 0 | 0 | 120.7 | ||||
| 3 | Q | 38.4 | Very low | 36.9 | Very low | 147 Ų | 147 | 141.8 Ų | 141.8 | 69% | 0.687 | 76% | 0.762 | S | S | * | * | cis | -175.2 | 141.1 | -11 | -154 | -176.6 | -24.8 | 0 | 0 | 110.8 | ||||
| 4 | T | 45.3 | Very low | 36.6 | Very low | 105 Ų | 105 | 137.9 Ų | 137.9 | 64% | 0.644 | 75% | 0.747 | S | S | * | * | trans | 55.3 | 173.5 | 152.8 | 44.6 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 5 | I | 43.7 | Very low | 36.5 | Very low | 156 Ų | 156 | 137.2 Ų | 137.2 | 80% | 0.8 | 75% | 0.749 | S | S | * | * | cis | -129.9 | 132.4 | 6.2 | -52.8 | 165.3 | 0 | 0 | 0 | 105.9 | ||||
| 6 | Y | 41.9 | Very low | 36.2 | Very low | 178 Ų | 178 | 140.3 Ų | 140.3 | 70% | 0.698 | 76% | 0.756 | S | S | * | * | cis | 100.5 | 137.6 | 27.8 | -154.2 | -114.5 | 0 | 0 | 0 | 113.7 | ||||
| 7 | E | 39.6 | Very low | 35.7 | Very low | 136 Ų | 136 | 136.1 Ų | 136.1 | 64% | 0.636 | 75% | 0.754 | S | S | * | * | trans | 64.1 | 148.2 | 179.6 | -46.6 | -49.2 | 52 | 0 | 0 | 124.1 | ||||
| 8 | G | 37.6 | Very low | 35.4 | Very low | 69 Ų | 69 | 141.7 Ų | 141.7 | 71% | 0.711 | 76% | 0.761 | S | S | * | * | trans | 178.7 | -23.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 9 | E | 35.2 | Very low | 35.2 | Very low | 180 Ų | 180 | 141.2 Ų | 141.2 | 84% | 0.841 | 76% | 0.763 | S | S | * | * | trans | 64.2 | 140.2 | 177.1 | -55.2 | -178.3 | -173.5 | 0 | 0 | 115.2 | ||||
| 10 | S | 32.8 | Very low | 34.9 | Very low | 92 Ų | 92 | 137.3 Ų | 137.3 | 64% | 0.643 | 76% | 0.758 | S | S | * | * | cis | 73.1 | 140.1 | 42.1 | -146.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 11 | S | 33.3 | Very low | 34.7 | Very low | 103 Ų | 103 | 139.6 Ų | 139.6 | 72% | 0.72 | 76% | 0.763 | S | S | * | * | cis | -138.9 | 144.3 | 15 | -65.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 12 | F | 32.3 | Very low | 34.5 | Very low | 184 Ų | 184 | 137.3 Ų | 137.3 | 81% | 0.807 | 75% | 0.75 | S | S | * | * | 67.4 | 111.6 | 65 | -88.5 | -70.2 | 0 | 0 | 0 | 116.7 | T14 | F12-T14 WeakPolarHBondContact CD1-OG1 3.49Š| |||
| 13 | S | 29.2 | Very low | 34.3 | Very low | 121 Ų | 121 | 138.4 Ų | 138.4 | 85% | 0.846 | 75% | 0.751 | S | S | * | * | trans | -166.4 | 107.7 | 143.6 | -161.2 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 14 | T | 32.3 | Very low | 34 | Very low | 88 Ų | 88 | 138.3 Ų | 138.3 | 54% | 0.54 | 75% | 0.754 | S | S | . | * | cis | 101.5 | 107.8 | 22.4 | -53.7 | 0 | 0 | 0 | 0 | 113.5 | F12 | F12-T14 WeakPolarHBondContact CD1-OG1 3.49Š| ||
| 15 | T | 36.3 | Very low | 33.2 | Very low | 127 Ų | 127 | 141.6 Ų | 141.6 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | trans | 159.5 | 118.8 | 144.3 | 33 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 16 | E | 31.3 | Very low | 32.5 | Very low | 186 Ų | 186 | 140.7 Ų | 140.7 | 87% | 0.869 | 76% | 0.764 | S | S | * | * | 59.5 | 126.7 | 64.1 | -67.8 | -149.8 | 100.8 | 0 | 0 | 114.4 | |||||
| 17 | G | 28.1 | Very low | 32.1 | Very low | 69 Ų | 69 | 141 Ų | 141 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | cis | 170.2 | -178.2 | -5.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 18 | R | 30.1 | Very low | 31.7 | Very low | 237 Ų | 237 | 140.8 Ų | 140.8 | 89% | 0.894 | 79% | 0.785 | S | S | * | * | trans | 67.8 | 124 | 168 | -77.4 | -167.9 | 166.6 | -153.3 | -3 | 121.4 | ||||
| 19 | V | 30.7 | Very low | 31.7 | Very low | 132 Ų | 132 | 147 Ų | 147 | 80% | 0.8 | 79% | 0.793 | S | S | * | * | 60.1 | 116 | 129.7 | -176.3 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 20 | G | 29.2 | Very low | 31.5 | Very low | 64 Ų | 64 | 146 Ų | 146 | 66% | 0.66 | 79% | 0.79 | S | S | * | * | trans | -178.3 | 88.1 | 164 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 21 | H | 31.3 | Very low | 31.6 | Very low | 186 Ų | 186 | 149 Ų | 149 | 86% | 0.861 | 79% | 0.794 | S | S | * | * | trans | 48.7 | 146.5 | 150.4 | -60.8 | -86.5 | 0 | 0 | 0 | 122.8 | ||||
| 22 | Q | 30.6 | Very low | 31.5 | Very low | 175 Ų | 175 | 150.6 Ų | 150.6 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -61 | 156.6 | 150.6 | -56 | -179.4 | 40.4 | 0 | 0 | 108.7 | ||||
| 23 | Q | 30.4 | Very low | 31.7 | Very low | 172 Ų | 172 | 149.1 Ų | 149.1 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | -180 | 173.4 | 77.2 | -165.3 | 159.2 | 18.6 | 0 | 0 | 110.1 | |||||
| 24 | L | 33.3 | Very low | 32 | Very low | 144 Ų | 144 | 149.9 Ų | 149.9 | 75% | 0.754 | 79% | 0.786 | S | S | * | * | trans | -58.9 | 153.1 | 175.5 | -56.7 | 101.5 | 0 | 0 | 0 | 112.8 | ||||
| 25 | L | 28.7 | Very low | 32 | Very low | 174 Ų | 174 | 152.3 Ų | 152.3 | 91% | 0.911 | 80% | 0.796 | S | S | * | * | trans | -133.8 | 139.7 | 140.4 | -159.6 | 66.7 | 0 | 0 | 0 | 110.7 | ||||
| 26 | N | 28.6 | Very low | 32.2 | Very low | 137 Ų | 137 | 151.4 Ų | 151.4 | 73% | 0.733 | 80% | 0.795 | S | S | * | * | trans | -82.5 | 164.5 | -177.7 | -100.9 | -63.1 | 0 | 0 | 0 | 112.5 | ||||
| 27 | Q | 32.5 | Very low | 32.3 | Very low | 185 Ų | 185 | 149.6 Ų | 149.6 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | trans | -62.2 | 137.8 | 161.7 | -65 | 174.4 | 73.7 | 0 | 0 | 110.4 | ||||
| 28 | S | 32.1 | Very low | 32.9 | Very low | 132 Ų | 132 | 152.6 Ų | 152.6 | 92% | 0.923 | 80% | 0.796 | S | S | * | * | trans | -154.2 | 151 | 142.6 | -86.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 29 | K | 38.4 | Very low | 33.1 | Very low | 200 Ų | 200 | 148.8 Ų | 148.8 | 87% | 0.87 | 79% | 0.791 | S | S | * | * | trans | -124 | 134.9 | -162.8 | 174.9 | -174.8 | 178.3 | -176.3 | 0 | 108.9 | ||||
| 30 | M | 31.2 | Very low | 33.2 | Very low | 158 Ų | 158 | 151.6 Ų | 151.6 | 78% | 0.778 | 79% | 0.793 | S | S | * | * | trans | -123.1 | 147.1 | 171.7 | -90.1 | -61.8 | -134.1 | 0 | 0 | 112.6 | ||||
| 31 | H | 32.9 | Very low | 34.2 | Very low | 156 Ų | 156 | 154.1 Ų | 154.1 | 72% | 0.722 | 80% | 0.797 | S | S | * | * | trans | -27.4 | 146.5 | -177.7 | 49.4 | -96.1 | 0 | 0 | 0 | 120.1 | ||||
| 32 | N | 31.4 | Very low | 34 | Very low | 136 Ų | 136 | 153 Ų | 153 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | trans | -150.4 | 121.9 | 144.2 | 175.3 | 3.4 | 0 | 0 | 0 | 106.7 | ||||
| 33 | M | 38.2 | Very low | 34.5 | Very low | 152 Ų | 152 | 150.5 Ų | 150.5 | 75% | 0.749 | 79% | 0.794 | S | S | * | * | trans | -174.3 | 119.4 | 157.1 | -91 | -46.3 | 94.4 | 0 | 0 | 110.2 | ||||
| 34 | N | 34.4 | Very low | 35.4 | Very low | 137 Ų | 137 | 147.3 Ų | 147.3 | 73% | 0.733 | 79% | 0.788 | S | S | * | * | trans | -174.6 | 107.8 | 145.9 | -99.2 | -20 | 0 | 0 | 0 | 105.5 | ||||
| 35 | N | 32.8 | Very low | 35.6 | Very low | 140 Ų | 140 | 148.4 Ų | 148.4 | 75% | 0.749 | 79% | 0.794 | S | S | * | * | 67.6 | 130.2 | 87.3 | -66.5 | -20.9 | 0 | 0 | 0 | 112.8 | |||||
| 36 | S | 39.7 | Very low | 36.3 | Very low | 108 Ų | 108 | 144.2 Ų | 144.2 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | cis | 158.6 | 108.3 | -18 | 159.4 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 37 | V | 33.5 | Very low | 37.1 | Very low | 147 Ų | 147 | 144.5 Ų | 144.5 | 89% | 0.891 | 79% | 0.791 | S | S | * | * | trans | -140.9 | 131.8 | 162.3 | -177.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 38 | D | 40.8 | Very low | 37.1 | Very low | 133 Ų | 133 | 142.9 Ų | 142.9 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | trans | -106.7 | 143.6 | 167.3 | 169.2 | 34.5 | 0 | 0 | 0 | 108.6 | K40 | D38-K40 PolarHBondContact OD1-N 2.89Š| ||
| 39 | I | 34.6 | Very low | 37.7 | Very low | 156 Ų | 156 | 141.6 Ų | 141.6 | 80% | 0.8 | 77% | 0.772 | S | S | * | * | trans | -172 | 100.6 | 141.9 | -94.2 | 148.4 | 0 | 0 | 0 | 109 | ||||
| 40 | K | 33.4 | Very low | 37.9 | Very low | 191 Ų | 191 | 140.2 Ų | 140.2 | 83% | 0.83 | 77% | 0.773 | S | S | * | * | trans | 62.5 | 156.1 | 151.3 | -80.9 | -174.6 | 173.6 | -179.2 | 0 | 121.3 | D38 | D38-K40 PolarHBondContact OD1-N 2.89Š| ||
| 41 | P | 48.4 | Very low | 38.7 | Very low | 117 Ų | 117 | 137.1 Ų | 137.1 | 76% | 0.76 | 77% | 0.767 | S | S | * | * | trans | -98.7 | 158.3 | -170.6 | 38.9 | -35.3 | 0 | 0 | 0 | 114.2 | ||||
| 42 | D | 28.7 | Very low | 39.3 | Very low | 164 Ų | 164 | 135.4 Ų | 135.4 | 88% | 0.877 | 77% | 0.77 | S | S | * | * | trans | -143.5 | 151.7 | 154.1 | -155.5 | 0.6 | 0 | 0 | 0 | 110.6 | ||||
| 43 | V | 40.8 | Very low | 40.3 | Very low | 122 Ų | 122 | 136 Ų | 136 | 74% | 0.739 | 77% | 0.772 | S | S | * | * | trans | -155.3 | 139.4 | -165.9 | 161.7 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 44 | P | 48.6 | Very low | 40.5 | Very low | 104 Ų | 104 | 134 Ų | 134 | 68% | 0.675 | 76% | 0.764 | S | S | * | * | cis | -137.1 | 174.7 | 25.2 | 37.7 | -19.2 | 0 | 0 | 0 | 116.7 | ||||
| 45 | L | 37.2 | Very low | 41.4 | Very low | 167 Ų | 167 | 134.3 Ų | 134.3 | 87% | 0.874 | 77% | 0.765 | S | S | * | * | -158 | 123.7 | 116.7 | -137.7 | 69.4 | 0 | 0 | 0 | 114.9 | |||||
| 46 | A | 44.8 | Very low | 42.2 | Very low | 87 Ų | 87 | 137.6 Ų | 137.6 | 72% | 0.719 | 77% | 0.767 | S | S | * | * | trans | 9.1 | 105.4 | 158.6 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 47 | V | 45.2 | Very low | 42.7 | Very low | 143 Ų | 143 | 136.8 Ų | 136.8 | 87% | 0.867 | 76% | 0.758 | S | S | * | * | -135 | 109.9 | 112.6 | -178.4 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 48 | E | 32.9 | Very low | 43.4 | Very low | 151 Ų | 151 | 135.2 Ų | 135.2 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | trans | -75.8 | 129.1 | 178.7 | -105.3 | -86.6 | 111.4 | 0 | 0 | 111.2 | L50 | E48-L50 PolarHBondContact O-N 3.19Š| ||
| 49 | P | 42.7 | Very low | 43.8 | Very low | 105 Ų | 105 | 136.1 Ų | 136.1 | 68% | 0.682 | 75% | 0.749 | S | S | * | * | trans | -75.9 | 108.2 | 167.3 | 30.9 | -30.4 | 0 | 0 | 0 | 109 | S51 | P49-S51 PolarHBondContact O-N 3.39Š| ||
| 50 | L | 42.8 | Very low | 44.5 | Very low | 171 Ų | 171 | 138.7 Ų | 138.7 | 90% | 0.895 | 75% | 0.748 | S | S | * | * | trans | -55.6 | 105.9 | -174.2 | -67.5 | 175.7 | 0 | 0 | 0 | 112.6 | E48 | E48-L50 PolarHBondContact O-N 3.19Š| ||
| 51 | S | 48.5 | Very low | 45.4 | Very low | 92 Ų | 92 | 136 Ų | 136 | 64% | 0.643 | 74% | 0.74 | S | S | * | * | trans | -60.1 | 160.9 | 171.6 | -154.7 | 0 | 0 | 0 | 0 | 111.1 | P49 | P49-S51 PolarHBondContact O-N 3.39Š| ||
| 52 | P | 46.8 | Very low | 45.6 | Very low | 120 Ų | 120 | 138.2 Ų | 138.2 | 78% | 0.779 | 75% | 0.745 | S | S | * | * | trans | -55.2 | 141.9 | -178.4 | -25.8 | 35.8 | 0 | 0 | 0 | 112.8 | D54 | P52-D54 PolarHBondContact O-N 2.99Š| ||
| 53 | L | 52 | Low | 46.6 | Very low | 150 Ų | 150 | 132.2 Ų | 132.2 | 79% | 0.785 | 72% | 0.722 | S | S | * | * | trans | -54.9 | 112.5 | 178.7 | -89.1 | 62.2 | 0 | 0 | 0 | 110.8 | L55 | L53-L55 PolarHBondContact O-N 2.82Š| ||
| 54 | D | 41.6 | Very low | 47 | Very low | 109 Ų | 109 | 133.5 Ų | 133.5 | 58% | 0.583 | 73% | 0.732 | S | S | * | * | trans | -73.7 | 95.2 | 169.4 | -174.8 | 7.1 | 0 | 0 | 0 | 109.5 | P52 R56 T57 | P52-D54 PolarHBondContact O-N 2.99Å; D54-R56 PolarHBondContact O-N 3.08Å; D54-R56 VanDerWaalsContact OD1-CB 3.31Å; D54-R56 WeakPolarHBondContact OD1-CB 3.24Å; D54-R56 VanDerWaalsContact OD1-CG 3.25Å; D54-R56 WeakPolarHBondContact OD1-CG 3.18Å; D54-R56 PolarHBondContact OD1-N 3.02Å; D54-T57 PolarHBondContact O-N 3.48Å | ||
| 55 | L | 54.7 | Low | 47.5 | Very low | 144 Ų | 144 | 132.2 Ų | 132.2 | 75% | 0.754 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.7 | 0.2 | 179.4 | -70.7 | 167.9 | 0 | 0 | 0 | 114.4 | L53 T57 | L53-L55 PolarHBondContact O-N 2.82Å; L55-T57 VanDerWaalsContact C-N 3.34Å |
| 56 | R | 49 | Very low | 48.8 | Very low | 209 Ų | 209 | 128 Ų | 128 | 79% | 0.789 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | -13.6 | 175.6 | -68.7 | -178.3 | 157.7 | -172.3 | -6.1 | 114.8 | D54 | D54-R56 PolarHBondContact O-N 3.08Å; D54-R56 VanDerWaalsContact OD1-CB 3.31Å; D54-R56 WeakPolarHBondContact OD1-CB 3.24Å; D54-R56 VanDerWaalsContact OD1-CG 3.25Å; D54-R56 WeakPolarHBondContact OD1-CG 3.18Å; D54-R56 PolarHBondContact OD1-N 3.02Å |
| 57 | T | 49.3 | Very low | 50.2 | Low | 90 Ų | 90 | 127.8 Ų | 127.8 | 55% | 0.552 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -86 | -45.8 | -177.1 | -54.5 | 0 | 0 | 0 | 0 | 113.2 | D54 L55 L59 R60 | D54-T57 PolarHBondContact O-N 3.48Å; L55-T57 VanDerWaalsContact C-N 3.34Å; T57-L59 PolarHBondContact O-N 3.47Å; T57-R60 PolarHBondContact O-N 2.96Å |
| 58 | D | 48.3 | Very low | 51.9 | Low | 115 Ų | 115 | 125.7 Ų | 125.7 | 62% | 0.615 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -72.9 | -18.8 | -168.2 | -82.8 | -55.2 | 0 | 0 | 0 | 115.9 | R60 M61 | D58-R60 PolarHBondContact O-N 2.76Å; D58-M61 PolarHBondContact O-N 2.84Å; D58-M61 VanDerWaalsContact O-N 3.08Å |
| 59 | L | 50 | Low | 54.5 | Low | 152 Ų | 152 | 119.5 Ų | 119.5 | 80% | 0.796 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -63.6 | -8 | 175.3 | -164.9 | 59.6 | 0 | 0 | 0 | 112.9 | T57 | T57-L59 PolarHBondContact O-N 3.47Š|
| 60 | R | 48.8 | Very low | 56.8 | Low | 210 Ų | 210 | 119.7 Ų | 119.7 | 79% | 0.792 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -92.8 | 3.7 | 176.2 | -56.5 | -155.6 | -69.2 | -171.4 | -1.6 | 114.8 | T57 D58 | T57-R60 PolarHBondContact O-N 2.96Å; D58-R60 PolarHBondContact O-N 2.76Å |
| 61 | M | 51.4 | Low | 59 | Low | 133 Ų | 133 | 120 Ų | 120 | 66% | 0.655 | 66% | 0.659 | S | S | * | * | trans | -91.9 | 12.2 | 177.3 | -73.1 | -87.7 | 65.5 | 0 | 0 | 115.3 | D58 G63 | D58-M61 PolarHBondContact O-N 2.84Å; D58-M61 VanDerWaalsContact O-N 3.08Å; M61-G63 PolarHBondContact O-N 3.12Å | ||
| 62 | L | 54.1 | Low | 61.1 | Low | 164 Ų | 164 | 120.7 Ų | 120.7 | 86% | 0.859 | 65% | 0.653 | S | S | * | * | trans | -79.1 | 56.7 | 170.4 | -119.4 | 71.3 | 0 | 0 | 0 | 112.6 | ||||
| 63 | G | 48.9 | Very low | 63.3 | Low | 38 Ų | 38 | 121.6 Ų | 121.6 | 39% | 0.392 | 64% | 0.64 | S | S | . | * | trans | -77.1 | 141.3 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | M61 G65 | M61-G63 PolarHBondContact O-N 3.12Å; G63-G65 PolarHBondContact O-N 2.98Å | ||
| 64 | P | 50.4 | Low | 65.3 | Low | 149 Ų | 149 | 119.4 Ų | 119.4 | 97% | 0.968 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | 54.1 | -177.3 | 33.9 | -37.4 | 0 | 0 | 0 | 112.7 | ||
| 65 | G | 57.2 | Low | 67.9 | Low | 77 Ų | 77 | 118.3 Ų | 118.3 | 79% | 0.794 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -164.4 | 0.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | G63 | G63-G65 PolarHBondContact O-N 2.98Š|
| 66 | S | 65.4 | Low | 69.9 | Low | 79 Ų | 79 | 116.5 Ų | 116.5 | 55% | 0.552 | 61% | 0.608 | S | S | * | * | trans | -69.3 | 126.6 | 174.6 | -53.8 | 0 | 0 | 0 | 0 | 110.9 | P68 | S66-P68 VanDerWaalsContact O-CD 3.29Å; S66-P68 WeakPolarHBondContact O-CD 3.48Å | ||
| 67 | D | 74.4 | Confident | 72.2 | Confident | 82 Ų | 82 | 112.9 Ų | 112.9 | 44% | 0.439 | 60% | 0.599 | S | S | . | * | trans | -58.7 | 117.5 | 174.8 | 168.7 | 26.1 | 0 | 0 | 0 | 110.6 | G69 L70 R73 | D67-G69 PolarHBondContact O-N 2.86Å; D67-G69 VanDerWaalsContact O-N 3.15Å; D67-G69 PolarHBondContact OD1-N 3.03Å; D67-L70 HydrophobicContact CB-CD1 4.16Å; D67-L70 HydrophobicContact CB-CG 4.32Å; D67-L70 PolarHBondContact O-N 2.87Å; D67-L70 PolarHBondContact OD2-N 3.18Å; D67-R73 IonicContact OD2-NH2 3.7Å | ||
| 68 | P | 79.8 | Confident | 74.4 | Confident | 100 Ų | 100 | 113.2 Ų | 113.2 | 65% | 0.649 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -55.8 | -31.6 | 177.2 | -25.8 | 35.7 | 0 | 0 | 0 | 113.1 | S66 L70 W71 E72 | S66-P68 VanDerWaalsContact O-CD 3.29Å; S66-P68 WeakPolarHBondContact O-CD 3.48Å; P68-L70 VanDerWaalsContact C-N 3.29Å; P68-L70 PolarHBondContact O-N 3.24Å; P68-W71 PolarHBondContact O-N 3.46Å; P68-E72 WeakPolarHBondContact O-CB 3.3Å; P68-E72 PolarHBondContact O-N 2.84Å |
| 69 | G | 89.6 | Confident | 76.8 | Confident | 20 Ų | 20 | 111.9 Ų | 111.9 | 21% | 0.206 | 59% | 0.587 | C | S | . | * | H | α-helix | trans | -69.2 | -21 | 179 | 0 | 0 | 0 | 0 | 0 | 114.3 | D67 R73 | D67-G69 PolarHBondContact O-N 2.86Å; D67-G69 VanDerWaalsContact O-N 3.15Å; D67-G69 PolarHBondContact OD1-N 3.03Å; G69-R73 WeakPolarHBondContact O-CG 3.39Å; G69-R73 PolarHBondContact O-N 2.85Å; G69-R73 PolarHBondContact O-NE 2.7Å; G69-R73 VanDerWaalsContact O-NE 3.13Å; G69-R73 PolarHBondContact O-NH2 3.05Å |
| 70 | L | 89.7 | Confident | 79.1 | Confident | 110 Ų | 110 | 110.2 Ų | 110.2 | 58% | 0.576 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -76.9 | -44.8 | 170.3 | -76.8 | 170.1 | 0 | 0 | 0 | 111.4 | D67 P68 R73 Q74 | D67-L70 HydrophobicContact CB-CD1 4.16Å; D67-L70 HydrophobicContact CB-CG 4.32Å; D67-L70 PolarHBondContact O-N 2.87Å; D67-L70 PolarHBondContact OD2-N 3.18Å; P68-L70 VanDerWaalsContact C-N 3.29Å; P68-L70 PolarHBondContact O-N 3.24Å; L70-R73 VanDerWaalsContact CD2-NH2 3.33Å; L70-R73 PolarHBondContact O-N 2.67Å; L70-Q74 PolarHBondContact O-N 3.42Å |
| 71 | W | 89.2 | Confident | 81.5 | Confident | 176 Ų | 176 | 105.5 Ų | 105.5 | 67% | 0.667 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -64.8 | -40.5 | 177.6 | -178.7 | 83.5 | 0 | 0 | 0 | 112 | P68 R73 Q74 L75 | P68-W71 PolarHBondContact O-N 3.46Å; W71-R73 PolarHBondContact O-N 3.39Å; W71-Q74 WeakPolarHBondContact O-CB 3.25Å; W71-Q74 PolarHBondContact O-N 2.68Å; W71-L75 HydrophobicContact CH2-CD2 3.79Å; W71-L75 HydrophobicContact CZ2-CD2 4.35Å; W71-L75 HydrophobicContact CZ3-CD2 4.07Å; W71-L75 PolarHBondContact O-N 2.82Å |
| 72 | E | 91.8 | Very high | 83.7 | Confident | 108 Ų | 108 | 102.6 Ų | 102.6 | 51% | 0.505 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -61.8 | -43.8 | 176 | -163.9 | -169.6 | 168.8 | 0 | 0 | 111.8 | P68 Q74 L75 Q76 | P68-E72 WeakPolarHBondContact O-CB 3.3Å; P68-E72 PolarHBondContact O-N 2.84Å; E72-Q74 VanDerWaalsContact C-N 3.32Å; E72-Q74 PolarHBondContact O-N 3.17Å; E72-L75 PolarHBondContact O-N 3.47Å; E72-Q76 VanDerWaalsContact O-CG 3.24Å; E72-Q76 WeakPolarHBondContact O-CG 3.41Å; E72-Q76 PolarHBondContact O-N 3.27Å; E72-Q76 PolarHBondContact OE1-NE2 3.37Å; E72-Q76 VanDerWaalsContact OE1-NE2 3.14Å |
| 73 | R | 93.7 | Very high | 85.8 | Confident | 138 Ų | 138 | 99.3 Ų | 99.3 | 52% | 0.521 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.1 | -37.2 | 174.6 | -78.1 | -175.3 | -67.7 | -106.6 | -3.3 | 112.5 | D67 G69 L70 W71 Q76 Q77 | D67-R73 IonicContact OD2-NH2 3.7Å; G69-R73 WeakPolarHBondContact O-CG 3.39Å; G69-R73 PolarHBondContact O-N 2.85Å; G69-R73 PolarHBondContact O-NE 2.7Å; G69-R73 VanDerWaalsContact O-NE 3.13Å; G69-R73 PolarHBondContact O-NH2 3.05Å; L70-R73 VanDerWaalsContact CD2-NH2 3.33Å; L70-R73 PolarHBondContact O-N 2.67Å; W71-R73 PolarHBondContact O-N 3.39Å; R73-Q76 PolarHBondContact O-N 3.16Å; R73-Q77 PolarHBondContact O-N 3.09Å; R73-Q77 VanDerWaalsContact O-N 3.07Å |
| 74 | Q | 94.9 | Very high | 88.2 | Confident | 105 Ų | 105 | 103.9 Ų | 103.9 | 49% | 0.491 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.2 | -47.7 | 175.5 | -176.5 | 60.2 | 25.1 | 0 | 0 | 111.2 | L70 W71 E72 Q76 Q77 E78 | L70-Q74 PolarHBondContact O-N 3.42Å; W71-Q74 WeakPolarHBondContact O-CB 3.25Å; W71-Q74 PolarHBondContact O-N 2.68Å; E72-Q74 VanDerWaalsContact C-N 3.32Å; E72-Q74 PolarHBondContact O-N 3.17Å; Q74-Q76 VanDerWaalsContact C-N 3.32Å; Q74-Q76 PolarHBondContact O-N 2.91Å; Q74-Q77 PolarHBondContact O-N 2.68Å; Q74-Q77 VanDerWaalsContact O-N 3.14Å; Q74-E78 PolarHBondContact O-N 2.93Å |
| 75 | L | 95.6 | Very high | 90.5 | Very high | 85 Ų | 85 | 102.4 Ų | 102.4 | 45% | 0.445 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.8 | -38.5 | 177.8 | -176.1 | 65.6 | 0 | 0 | 0 | 112.3 | W71 E72 E78 L79 | W71-L75 HydrophobicContact CH2-CD2 3.79Å; W71-L75 HydrophobicContact CZ2-CD2 4.35Å; W71-L75 HydrophobicContact CZ3-CD2 4.07Å; W71-L75 PolarHBondContact O-N 2.82Å; E72-L75 PolarHBondContact O-N 3.47Å; L75-E78 PolarHBondContact O-N 2.75Å; L75-L79 WeakPolarHBondContact O-CB 3.22Å; L75-L79 PolarHBondContact O-N 2.82Å |
| 76 | Q | 96.4 | Very high | 92.4 | Very high | 107 Ų | 107 | 102.2 Ų | 102.2 | 50% | 0.5 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.5 | -39.4 | 174.3 | -70.9 | 168.9 | 9.3 | 0 | 0 | 112.1 | E72 R73 Q74 L80 | E72-Q76 VanDerWaalsContact O-CG 3.24Å; E72-Q76 WeakPolarHBondContact O-CG 3.41Å; E72-Q76 PolarHBondContact O-N 3.27Å; E72-Q76 PolarHBondContact OE1-NE2 3.37Å; E72-Q76 VanDerWaalsContact OE1-NE2 3.14Å; R73-Q76 PolarHBondContact O-N 3.16Å; Q74-Q76 VanDerWaalsContact C-N 3.32Å; Q74-Q76 PolarHBondContact O-N 2.91Å; Q76-L80 PolarHBondContact O-N 2.87Å |
| 77 | Q | 96.5 | Very high | 94 | Very high | 132 Ų | 132 | 105.2 Ų | 105.2 | 62% | 0.617 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -69.6 | -41.6 | 175.5 | -175.3 | 176.2 | 107.5 | 0 | 0 | 112.1 | R73 Q74 L80 L81 | R73-Q77 PolarHBondContact O-N 3.09Å; R73-Q77 VanDerWaalsContact O-N 3.07Å; Q74-Q77 PolarHBondContact O-N 2.68Å; Q74-Q77 VanDerWaalsContact O-N 3.14Å; Q77-L80 WeakPolarHBondContact O-CB 3.48Å; Q77-L80 PolarHBondContact O-N 2.89Å; Q77-L81 PolarHBondContact O-N 3.43Å |
| 78 | E | 96.7 | Very high | 95.2 | Very high | 97 Ų | 97 | 105.4 Ų | 105.4 | 45% | 0.453 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64 | -43.7 | 178.1 | -169.8 | -179.7 | 165.6 | 0 | 0 | 111.5 | Q74 L75 L80 L81 I82 | Q74-E78 PolarHBondContact O-N 2.93Å; L75-E78 PolarHBondContact O-N 2.75Å; E78-L80 VanDerWaalsContact C-N 3.29Å; E78-L80 PolarHBondContact O-N 3.17Å; E78-L81 WeakPolarHBondContact O-CB 3.18Å; E78-L81 PolarHBondContact O-N 3.37Å; E78-L81 VanDerWaalsContact O-N 3.08Å; E78-I82 HydrophobicContact CG-CD1 3.99Å; E78-I82 HydrophobicContact CG-CG1 4.49Å; E78-I82 WeakPolarHBondContact O-CG1 3.31Å; E78-I82 PolarHBondContact O-N 3.49Å |
| 79 | L | 98.3 | Very high | 96.1 | Very high | 88 Ų | 88 | 106.1 Ų | 106.1 | 46% | 0.461 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -57.3 | -41.6 | 174.9 | 179.8 | 61.6 | 0 | 0 | 0 | 112 | L75 I82 Q83 | L75-L79 WeakPolarHBondContact O-CB 3.22Å; L75-L79 PolarHBondContact O-N 2.82Å; L79-I82 PolarHBondContact O-N 2.98Å; L79-Q83 WeakPolarHBondContact O-CB 3.28Å; L79-Q83 PolarHBondContact O-N 3.47Å |
| 80 | L | 98.4 | Very high | 96.5 | Very high | 116 Ų | 116 | 111.9 Ų | 111.9 | 61% | 0.607 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.1 | -39.6 | 175.9 | -174.1 | 70.5 | 0 | 0 | 0 | 111.9 | Q76 Q77 E78 Q83 K84 | Q76-L80 PolarHBondContact O-N 2.87Å; Q77-L80 WeakPolarHBondContact O-CB 3.48Å; Q77-L80 PolarHBondContact O-N 2.89Å; E78-L80 VanDerWaalsContact C-N 3.29Å; E78-L80 PolarHBondContact O-N 3.17Å; L80-Q83 PolarHBondContact O-N 2.9Å; L80-K84 WeakPolarHBondContact O-CB 3.18Å; L80-K84 PolarHBondContact O-N 2.89Å |
| 81 | L | 98.4 | Very high | 96.9 | Very high | 112 Ų | 112 | 112.4 Ų | 112.4 | 59% | 0.586 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66.8 | -43.9 | 176.9 | -176 | 61.6 | 0 | 0 | 0 | 111.5 | Q77 E78 K84 Q85 | Q77-L81 PolarHBondContact O-N 3.43Å; E78-L81 WeakPolarHBondContact O-CB 3.18Å; E78-L81 PolarHBondContact O-N 3.37Å; E78-L81 VanDerWaalsContact O-N 3.08Å; L81-K84 PolarHBondContact O-N 2.82Å; L81-Q85 WeakPolarHBondContact O-CB 3.42Å; L81-Q85 PolarHBondContact O-N 3.11Å |
| 82 | I | 98.6 | Very high | 97.4 | Very high | 72 Ų | 72 | 109.3 Ų | 109.3 | 37% | 0.369 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.8 | -46.6 | 174.4 | -68.7 | 168.2 | 0 | 0 | 0 | 110.2 | E78 L79 K84 Q85 Q86 | E78-I82 HydrophobicContact CG-CD1 3.99Å; E78-I82 HydrophobicContact CG-CG1 4.49Å; E78-I82 WeakPolarHBondContact O-CG1 3.31Å; E78-I82 PolarHBondContact O-N 3.49Å; L79-I82 PolarHBondContact O-N 2.98Å; I82-K84 VanDerWaalsContact C-N 3.34Å; I82-K84 PolarHBondContact O-N 3.02Å; I82-Q85 PolarHBondContact O-N 2.81Å; I82-Q85 VanDerWaalsContact O-N 3.16Å; I82-Q86 HydrophobicContact CG2-CG 4.39Å; I82-Q86 WeakPolarHBondContact O-CG 3.38Å; I82-Q86 PolarHBondContact O-N 3.44Å |
| 83 | Q | 98.4 | Very high | 97.7 | Very high | 94 Ų | 94 | 110.4 Ų | 110.4 | 44% | 0.439 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59.1 | -44.5 | 177 | -174.7 | -175.8 | -11.7 | 0 | 0 | 111.7 | L79 L80 Q85 Q86 Q87 | L79-Q83 WeakPolarHBondContact O-CB 3.28Å; L79-Q83 PolarHBondContact O-N 3.47Å; L80-Q83 PolarHBondContact O-N 2.9Å; Q83-Q85 VanDerWaalsContact C-N 3.35Å; Q83-Q85 PolarHBondContact O-N 3.1Å; Q83-Q86 PolarHBondContact O-N 3.21Å; Q83-Q87 PolarHBondContact O-N 3.29Å |
| 84 | K | 98.4 | Very high | 98 | Very high | 134 Ų | 134 | 107 Ų | 107 | 58% | 0.583 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.6 | -41.5 | 175.2 | -177.7 | -178.8 | 177.3 | -176.1 | 0 | 111.6 | L80 L81 I82 Q87 I88 | L80-K84 WeakPolarHBondContact O-CB 3.18Å; L80-K84 PolarHBondContact O-N 2.89Å; L81-K84 PolarHBondContact O-N 2.82Å; I82-K84 VanDerWaalsContact C-N 3.34Å; I82-K84 PolarHBondContact O-N 3.02Å; K84-Q87 PolarHBondContact O-N 3.25Å; K84-I88 HydrophobicContact CG-CD1 4.15Å; K84-I88 WeakPolarHBondContact O-CG1 3.44Å; K84-I88 PolarHBondContact O-N 3.5Å |
| 85 | Q | 98.6 | Very high | 98.1 | Very high | 119 Ų | 119 | 104.7 Ų | 104.7 | 56% | 0.556 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -69.1 | -42.2 | 178.6 | -173.7 | 157 | 64.5 | 0 | 0 | 112.4 | L81 I82 Q83 Q87 I88 Q89 | L81-Q85 WeakPolarHBondContact O-CB 3.42Å; L81-Q85 PolarHBondContact O-N 3.11Å; I82-Q85 PolarHBondContact O-N 2.81Å; I82-Q85 VanDerWaalsContact O-N 3.16Å; Q83-Q85 VanDerWaalsContact C-N 3.35Å; Q83-Q85 PolarHBondContact O-N 3.1Å; Q85-Q87 VanDerWaalsContact C-N 3.3Å; Q85-Q87 PolarHBondContact O-N 3.46Å; Q85-I88 PolarHBondContact O-N 3.04Å; Q85-Q89 HydrophobicContact CG-CG 4.42Å; Q85-Q89 WeakPolarHBondContact O-CB 3.27Å; Q85-Q89 WeakPolarHBondContact O-CG 3.49Å; Q85-Q89 PolarHBondContact O-N 3.19Å |
| 86 | Q | 98.6 | Very high | 98.3 | Very high | 73 Ų | 73 | 104.6 Ų | 104.6 | 34% | 0.341 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.3 | -41.4 | 172.3 | -71.8 | -173.9 | 11.9 | 0 | 0 | 111.6 | I82 Q83 Q89 K90 S340 | I82-Q86 HydrophobicContact CG2-CG 4.39Å; I82-Q86 WeakPolarHBondContact O-CG 3.38Å; I82-Q86 PolarHBondContact O-N 3.44Å; Q83-Q86 PolarHBondContact O-N 3.21Å; Q86-Q89 PolarHBondContact O-N 3Å; Q86-K90 WeakPolarHBondContact O-CB 3.34Å; Q86-K90 PolarHBondContact O-N 3.37Å; Q86-S340 PolarHBondContact NE2-O 2.86Å |
| 87 | Q | 98.5 | Very high | 98.4 | Very high | 141 Ų | 141 | 106.3 Ų | 106.3 | 66% | 0.659 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62 | -43.5 | 175.9 | 179.1 | 174.5 | -26.6 | 0 | 0 | 112.1 | Q83 K84 Q85 K90 Q91 | Q83-Q87 PolarHBondContact O-N 3.29Å; K84-Q87 PolarHBondContact O-N 3.25Å; Q85-Q87 VanDerWaalsContact C-N 3.3Å; Q85-Q87 PolarHBondContact O-N 3.46Å; Q87-K90 PolarHBondContact O-N 3.42Å; Q87-Q91 WeakPolarHBondContact O-CB 3.3Å; Q87-Q91 PolarHBondContact O-N 3.06Å |
| 88 | I | 98.6 | Very high | 98.5 | Very high | 86 Ų | 86 | 105.5 Ų | 105.5 | 44% | 0.441 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.4 | -46.1 | 177.2 | -67.8 | 165.3 | 0 | 0 | 0 | 110.9 | K84 Q85 K90 Q91 L92 | K84-I88 HydrophobicContact CG-CD1 4.15Å; K84-I88 WeakPolarHBondContact O-CG1 3.44Å; K84-I88 PolarHBondContact O-N 3.5Å; Q85-I88 PolarHBondContact O-N 3.04Å; I88-K90 VanDerWaalsContact C-N 3.33Å; I88-K90 PolarHBondContact O-N 3.27Å; I88-Q91 PolarHBondContact O-N 3.46Å; I88-Q91 VanDerWaalsContact O-N 3.11Å; I88-L92 HydrophobicContact CG2-CD1 4Å; I88-L92 HydrophobicContact CG2-CG 4.4Å; I88-L92 WeakPolarHBondContact O-CG 3.39Å; I88-L92 PolarHBondContact O-N 3.41Å |
| 89 | Q | 98.7 | Very high | 98.6 | Very high | 116 Ų | 116 | 106.4 Ų | 106.4 | 54% | 0.542 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -57.9 | -43.8 | 176.3 | -73.7 | 174.9 | -5.9 | 0 | 0 | 111.8 | Q85 Q86 Q91 L92 L93 | Q85-Q89 HydrophobicContact CG-CG 4.42Å; Q85-Q89 WeakPolarHBondContact O-CB 3.27Å; Q85-Q89 WeakPolarHBondContact O-CG 3.49Å; Q85-Q89 PolarHBondContact O-N 3.19Å; Q86-Q89 PolarHBondContact O-N 3Å; Q89-Q91 PolarHBondContact O-N 3.15Å; Q89-L92 PolarHBondContact O-N 3.02Å; Q89-L93 WeakPolarHBondContact O-CB 3.46Å; Q89-L93 PolarHBondContact O-N 2.78Å |
| 90 | K | 98.6 | Very high | 98.6 | Very high | 141 Ų | 141 | 106.7 Ų | 106.7 | 61% | 0.613 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.1 | -42.7 | 174.2 | -178.3 | -179.5 | 176.8 | -176.4 | 0 | 112 | Q86 Q87 I88 L93 I94 | Q86-K90 WeakPolarHBondContact O-CB 3.34Å; Q86-K90 PolarHBondContact O-N 3.37Å; Q87-K90 PolarHBondContact O-N 3.42Å; I88-K90 VanDerWaalsContact C-N 3.33Å; I88-K90 PolarHBondContact O-N 3.27Å; K90-L93 PolarHBondContact O-N 2.89Å; K90-I94 HydrophobicContact CG-CD1 3.91Å; K90-I94 VanDerWaalsContact O-CG1 3.29Å; K90-I94 WeakPolarHBondContact O-CG1 3.26Å; K90-I94 PolarHBondContact O-N 2.77Å |
| 91 | Q | 98.6 | Very high | 98.6 | Very high | 120 Ų | 120 | 106.4 Ų | 106.4 | 56% | 0.561 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.4 | -38.8 | 179.2 | -175.3 | 57.3 | 80.5 | 0 | 0 | 112.3 | Q87 I88 Q89 S95 | Q87-Q91 WeakPolarHBondContact O-CB 3.3Å; Q87-Q91 PolarHBondContact O-N 3.06Å; I88-Q91 PolarHBondContact O-N 3.46Å; I88-Q91 VanDerWaalsContact O-N 3.11Å; Q89-Q91 PolarHBondContact O-N 3.15Å; Q91-S95 VanDerWaalsContact O-CB 3.31Å; Q91-S95 WeakPolarHBondContact O-CB 3.46Å; Q91-S95 PolarHBondContact O-N 3Å |
| 92 | L | 98.8 | Very high | 98.6 | Very high | 111 Ų | 111 | 105.7 Ų | 105.7 | 58% | 0.581 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.4 | -45.6 | 174.3 | -70.3 | 170.5 | 0 | 0 | 0 | 111.7 | I88 Q89 I94 S95 E96 | I88-L92 HydrophobicContact CG2-CD1 4Å; I88-L92 HydrophobicContact CG2-CG 4.4Å; I88-L92 WeakPolarHBondContact O-CG 3.39Å; I88-L92 PolarHBondContact O-N 3.41Å; Q89-L92 PolarHBondContact O-N 3.02Å; L92-I94 VanDerWaalsContact C-N 3.35Å; L92-I94 PolarHBondContact O-N 3.18Å; L92-S95 PolarHBondContact O-N 3.49Å; L92-E96 PolarHBondContact O-N 2.74Å |
| 93 | L | 98.8 | Very high | 98.6 | Very high | 131 Ų | 131 | 108 Ų | 108 | 69% | 0.686 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60 | -43.1 | 177.3 | 179.1 | 61.8 | 0 | 0 | 0 | 112.2 | Q89 K90 F97 | Q89-L93 WeakPolarHBondContact O-CB 3.46Å; Q89-L93 PolarHBondContact O-N 2.78Å; K90-L93 PolarHBondContact O-N 2.89Å; L93-F97 WeakPolarHBondContact O-CB 3.42Å; L93-F97 PolarHBondContact O-N 3.45Å |
| 94 | I | 98.8 | Very high | 98.7 | Very high | 66 Ų | 66 | 108.8 Ų | 108.8 | 34% | 0.338 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.8 | -41 | 175.7 | -68.7 | 167.9 | 0 | 0 | 0 | 110.8 | K90 L92 F97 Q98 | K90-I94 HydrophobicContact CG-CD1 3.91Å; K90-I94 VanDerWaalsContact O-CG1 3.29Å; K90-I94 WeakPolarHBondContact O-CG1 3.26Å; K90-I94 PolarHBondContact O-N 2.77Å; L92-I94 VanDerWaalsContact C-N 3.35Å; L92-I94 PolarHBondContact O-N 3.18Å; I94-F97 PolarHBondContact O-N 3.12Å; I94-Q98 HydrophobicContact CG2-CG 4.47Å; I94-Q98 WeakPolarHBondContact O-CB 3.36Å; I94-Q98 VanDerWaalsContact O-CG 3.29Å; I94-Q98 WeakPolarHBondContact O-CG 3.49Å; I94-Q98 PolarHBondContact O-N 3.02Å |
| 95 | S | 98.7 | Very high | 98.7 | Very high | 58 Ų | 58 | 105.7 Ų | 105.7 | 41% | 0.406 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.5 | -46.3 | 179.6 | -174.6 | 0 | 0 | 0 | 0 | 112.4 | Q91 L92 Q98 K99 | Q91-S95 VanDerWaalsContact O-CB 3.31Å; Q91-S95 WeakPolarHBondContact O-CB 3.46Å; Q91-S95 PolarHBondContact O-N 3Å; L92-S95 PolarHBondContact O-N 3.49Å; S95-Q98 PolarHBondContact O-N 2.89Å; S95-K99 VanDerWaalsContact O-CB 3.31Å; S95-K99 WeakPolarHBondContact O-CB 3.44Å; S95-K99 PolarHBondContact O-N 3.12Å |
| 96 | E | 98.8 | Very high | 98.7 | Very high | 82 Ų | 82 | 107 Ų | 107 | 38% | 0.383 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.6 | -42.1 | 173.9 | -86.2 | -61 | 141.4 | 0 | 0 | 111.7 | L92 Q98 K99 Q100 | L92-E96 PolarHBondContact O-N 2.74Å; E96-Q98 VanDerWaalsContact C-N 3.35Å; E96-Q98 PolarHBondContact O-N 3.38Å; E96-K99 PolarHBondContact O-N 3.25Å; E96-K99 WeakPolarHBondContact OE1-CD 3.35Å; E96-K99 WeakPolarHBondContact OE1-CE 3.35Å; E96-K99 IonicContact OE1-NZ 3.4Å; E96-K99 PolarHBondContact OE1-NZ 3.37Å; E96-K99 IonicContact OE2-NZ 2.69Å; E96-Q100 WeakPolarHBondContact O-CG 3.29Å; E96-Q100 PolarHBondContact O-N 2.93Å; E96-Q100 PolarHBondContact OE2-NE2 2.93Å |
| 97 | F | 98.9 | Very high | 98.7 | Very high | 143 Ų | 143 | 109.1 Ų | 109.1 | 63% | 0.627 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -57.8 | -46.5 | 175 | 177.2 | -94.7 | 0 | 0 | 0 | 112.1 | L93 I94 K99 Q100 H101 | L93-F97 WeakPolarHBondContact O-CB 3.42Å; L93-F97 PolarHBondContact O-N 3.45Å; I94-F97 PolarHBondContact O-N 3.12Å; F97-K99 PolarHBondContact O-N 3.09Å; F97-Q100 PolarHBondContact O-N 3.42Å; F97-H101 VanDerWaalsContact O-CB 3.3Å; F97-H101 WeakPolarHBondContact O-CB 3.34Å; F97-H101 PolarHBondContact O-N 3.11Å |
| 98 | Q | 98.7 | Very high | 98.7 | Very high | 115 Ų | 115 | 107.6 Ų | 107.6 | 54% | 0.537 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.2 | -45.1 | 176.4 | -74.6 | 172.1 | -7.1 | 0 | 0 | 111.7 | I94 S95 E96 H101 E102 | I94-Q98 HydrophobicContact CG2-CG 4.47Å; I94-Q98 WeakPolarHBondContact O-CB 3.36Å; I94-Q98 VanDerWaalsContact O-CG 3.29Å; I94-Q98 WeakPolarHBondContact O-CG 3.49Å; I94-Q98 PolarHBondContact O-N 3.02Å; S95-Q98 PolarHBondContact O-N 2.89Å; E96-Q98 VanDerWaalsContact C-N 3.35Å; E96-Q98 PolarHBondContact O-N 3.38Å; Q98-H101 PolarHBondContact O-N 3.02Å; Q98-E102 WeakPolarHBondContact O-CB 3.42Å; Q98-E102 PolarHBondContact O-N 2.98Å |
| 99 | K | 98.8 | Very high | 98.6 | Very high | 116 Ų | 116 | 108.3 Ų | 108.3 | 50% | 0.504 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.4 | -42.7 | 177.8 | 174.2 | 180 | 164.7 | -167.3 | 0 | 113 | S95 E96 F97 K103 | S95-K99 VanDerWaalsContact O-CB 3.31Å; S95-K99 WeakPolarHBondContact O-CB 3.44Å; S95-K99 PolarHBondContact O-N 3.12Å; E96-K99 PolarHBondContact O-N 3.25Å; E96-K99 WeakPolarHBondContact OE1-CD 3.35Å; E96-K99 WeakPolarHBondContact OE1-CE 3.35Å; E96-K99 IonicContact OE1-NZ 3.4Å; E96-K99 PolarHBondContact OE1-NZ 3.37Å; E96-K99 IonicContact OE2-NZ 2.69Å; F97-K99 PolarHBondContact O-N 3.09Å; K99-K103 WeakPolarHBondContact O-CB 3.26Å; K99-K103 PolarHBondContact O-N 3.17Å |
| 100 | Q | 98.7 | Very high | 98.6 | Very high | 95 Ų | 95 | 105.2 Ų | 105.2 | 44% | 0.444 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.5 | -39.1 | 174.4 | -59.3 | -53.8 | -31.9 | 0 | 0 | 111.6 | E96 F97 K103 L104 | E96-Q100 WeakPolarHBondContact O-CG 3.29Å; E96-Q100 PolarHBondContact O-N 2.93Å; E96-Q100 PolarHBondContact OE2-NE2 2.93Å; F97-Q100 PolarHBondContact O-N 3.42Å; Q100-K103 PolarHBondContact O-N 3.36Å; Q100-L104 WeakPolarHBondContact O-CB 3.45Å; Q100-L104 PolarHBondContact O-N 3.07Å |
| 101 | H | 98.7 | Very high | 98.6 | Very high | 110 Ų | 110 | 104.6 Ų | 104.6 | 51% | 0.509 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.7 | -43.6 | 176.5 | 179.5 | 65.3 | 0 | 0 | 0 | 112.3 | F97 Q98 L104 T105 | F97-H101 VanDerWaalsContact O-CB 3.3Å; F97-H101 WeakPolarHBondContact O-CB 3.34Å; F97-H101 PolarHBondContact O-N 3.11Å; Q98-H101 PolarHBondContact O-N 3.02Å; H101-L104 PolarHBondContact O-N 3.25Å; H101-T105 WeakPolarHBondContact O-CB 3.44Å; H101-T105 PolarHBondContact O-N 3.49Å; H101-T105 PolarHBondContact O-OG1 2.89Å |
| 102 | E | 98.6 | Very high | 98.6 | Very high | 96 Ų | 96 | 103.5 Ų | 103.5 | 45% | 0.449 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.2 | -45.8 | 175.1 | -169.1 | -169.2 | 152.8 | 0 | 0 | 111.1 | Q98 L104 T105 R106 | Q98-E102 WeakPolarHBondContact O-CB 3.42Å; Q98-E102 PolarHBondContact O-N 2.98Å; E102-L104 PolarHBondContact O-N 3.08Å; E102-T105 PolarHBondContact O-N 2.56Å; E102-R106 HydrophobicContact CG-CG 4.48Å; E102-R106 WeakPolarHBondContact O-CB 3.38Å; E102-R106 WeakPolarHBondContact O-CG 3.26Å; E102-R106 PolarHBondContact O-N 3.09Å; E102-R106 IonicContact OE1-CZ 2.65Å; E102-R106 IonicContact OE1-NE 3.51Å; E102-R106 PolarHBondContact OE1-NE 3.31Å; E102-R106 IonicContact OE1-NH2 3.14Å; E102-R106 PolarHBondContact OE1-NH2 2.92Å |
| 103 | K | 98.5 | Very high | 98.6 | Very high | 120 Ų | 120 | 104 Ų | 104 | 52% | 0.522 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -55.2 | -49.2 | 175.7 | 179.3 | -176.6 | 174.1 | -173.6 | 0 | 111.7 | K99 Q100 R106 Q107 | K99-K103 WeakPolarHBondContact O-CB 3.26Å; K99-K103 PolarHBondContact O-N 3.17Å; Q100-K103 PolarHBondContact O-N 3.36Å; K103-R106 PolarHBondContact O-N 3.01Å; K103-Q107 WeakPolarHBondContact O-CG 3.49Å; K103-Q107 PolarHBondContact O-N 3.18Å |
| 104 | L | 98.8 | Very high | 98.6 | Very high | 111 Ų | 111 | 103.5 Ų | 103.5 | 58% | 0.581 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64 | -40.7 | 178.3 | -178.4 | 61.7 | 0 | 0 | 0 | 111.8 | Q100 H101 E102 Q107 H108 | Q100-L104 WeakPolarHBondContact O-CB 3.45Å; Q100-L104 PolarHBondContact O-N 3.07Å; H101-L104 PolarHBondContact O-N 3.25Å; E102-L104 PolarHBondContact O-N 3.08Å; L104-Q107 PolarHBondContact O-N 3.44Å; L104-H108 PolarHBondContact O-N 3.01Å |
| 105 | T | 98.5 | Very high | 98.6 | Very high | 69 Ų | 69 | 105.7 Ų | 105.7 | 42% | 0.423 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.1 | -43.5 | 177.3 | -58.4 | 0 | 0 | 0 | 0 | 111.4 | H101 E102 H108 Q109 | H101-T105 WeakPolarHBondContact O-CB 3.44Å; H101-T105 PolarHBondContact O-N 3.49Å; H101-T105 PolarHBondContact O-OG1 2.89Å; E102-T105 PolarHBondContact O-N 2.56Å; T105-H108 PolarHBondContact O-N 3.43Å; T105-Q109 WeakPolarHBondContact O-CB 3.04Å; T105-Q109 PolarHBondContact O-N 3.09Å |
| 106 | R | 98.7 | Very high | 98.6 | Very high | 147 Ų | 147 | 108.1 Ų | 108.1 | 56% | 0.555 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.5 | -39 | 174.7 | -72.2 | -179.5 | -177.3 | -80.9 | 2.6 | 112.4 | E102 K103 Q109 A110 | E102-R106 HydrophobicContact CG-CG 4.48Å; E102-R106 WeakPolarHBondContact O-CB 3.38Å; E102-R106 WeakPolarHBondContact O-CG 3.26Å; E102-R106 PolarHBondContact O-N 3.09Å; E102-R106 IonicContact OE1-CZ 2.65Å; E102-R106 IonicContact OE1-NE 3.51Å; E102-R106 PolarHBondContact OE1-NE 3.31Å; E102-R106 IonicContact OE1-NH2 3.14Å; E102-R106 PolarHBondContact OE1-NH2 2.92Å; K103-R106 PolarHBondContact O-N 3.01Å; R106-Q109 PolarHBondContact O-N 3.02Å; R106-A110 WeakPolarHBondContact O-CB 3.41Å; R106-A110 PolarHBondContact O-N 2.9Å |
| 107 | Q | 98.5 | Very high | 98.6 | Very high | 117 Ų | 117 | 110.7 Ų | 110.7 | 55% | 0.547 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.4 | -44.9 | 173.9 | -73.9 | -178.8 | -63.6 | 0 | 0 | 111.8 | K103 L104 A110 Q111 | K103-Q107 WeakPolarHBondContact O-CG 3.49Å; K103-Q107 PolarHBondContact O-N 3.18Å; L104-Q107 PolarHBondContact O-N 3.44Å; Q107-A110 PolarHBondContact O-N 3.09Å; Q107-Q111 PolarHBondContact O-N 2.8Å |
| 108 | H | 98.4 | Very high | 98.5 | Very high | 109 Ų | 109 | 108.2 Ų | 108.2 | 51% | 0.505 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.1 | -41.8 | 175.9 | -177.3 | 53.4 | 0 | 0 | 0 | 112.3 | L104 T105 A110 Q111 L112 | L104-H108 PolarHBondContact O-N 3.01Å; T105-H108 PolarHBondContact O-N 3.43Å; H108-A110 PolarHBondContact O-N 2.97Å; H108-Q111 PolarHBondContact O-N 3.14Å; H108-L112 WeakPolarHBondContact O-CG 3.49Å; H108-L112 PolarHBondContact O-N 3.02Å |
| 109 | Q | 98.3 | Very high | 98.5 | Very high | 102 Ų | 102 | 107.3 Ų | 107.3 | 48% | 0.477 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.4 | -43.5 | 175.9 | -172.7 | 179.7 | 21.3 | 0 | 0 | 112 | T105 R106 L112 Q113 | T105-Q109 WeakPolarHBondContact O-CB 3.04Å; T105-Q109 PolarHBondContact O-N 3.09Å; R106-Q109 PolarHBondContact O-N 3.02Å; Q109-L112 PolarHBondContact O-N 2.89Å; Q109-Q113 WeakPolarHBondContact O-CG 3.4Å; Q109-Q113 PolarHBondContact O-N 3.38Å |
| 110 | A | 98.3 | Very high | 98.4 | Very high | 51 Ų | 51 | 108.3 Ų | 108.3 | 42% | 0.421 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.3 | -43.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | R106 Q107 H108 L112 Q113 E114 | R106-A110 WeakPolarHBondContact O-CB 3.41Å; R106-A110 PolarHBondContact O-N 2.9Å; Q107-A110 PolarHBondContact O-N 3.09Å; H108-A110 PolarHBondContact O-N 2.97Å; A110-L112 VanDerWaalsContact C-N 3.33Å; A110-L112 PolarHBondContact O-N 2.91Å; A110-Q113 PolarHBondContact O-N 3.34Å; A110-E114 PolarHBondContact O-N 3.23Å |
| 111 | Q | 98.6 | Very high | 98.4 | Very high | 128 Ų | 128 | 108.6 Ų | 108.6 | 60% | 0.598 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -60.9 | -39.4 | 176.3 | -170.9 | -174.9 | 13.3 | 0 | 0 | 112.4 | Q107 H108 H115 | Q107-Q111 PolarHBondContact O-N 2.8Å; H108-Q111 PolarHBondContact O-N 3.14Å; Q111-H115 WeakPolarHBondContact O-CB 3.33Å; Q111-H115 PolarHBondContact O-N 3.44Å |
| 112 | L | 98.6 | Very high | 98.4 | Very high | 97 Ų | 97 | 107.4 Ų | 107.4 | 51% | 0.508 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.1 | -39.6 | 175 | -71.4 | 174.6 | 0 | 0 | 0 | 112.3 | H108 Q109 A110 L116 | H108-L112 WeakPolarHBondContact O-CG 3.49Å; H108-L112 PolarHBondContact O-N 3.02Å; Q109-L112 PolarHBondContact O-N 2.89Å; A110-L112 VanDerWaalsContact C-N 3.33Å; A110-L112 PolarHBondContact O-N 2.91Å; L112-L116 WeakPolarHBondContact O-CB 3.46Å; L112-L116 PolarHBondContact O-N 3.38Å |
| 113 | Q | 98.6 | Very high | 98.3 | Very high | 120 Ų | 120 | 107.8 Ų | 107.8 | 56% | 0.561 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.9 | -42.1 | 175.7 | -73.4 | 175.8 | -11.1 | 0 | 0 | 111.9 | Q109 A110 L116 K117 | Q109-Q113 WeakPolarHBondContact O-CG 3.4Å; Q109-Q113 PolarHBondContact O-N 3.38Å; A110-Q113 PolarHBondContact O-N 3.34Å; Q113-L116 PolarHBondContact O-N 3.34Å; Q113-K117 WeakPolarHBondContact O-CB 3.34Å; Q113-K117 PolarHBondContact O-N 3.43Å |
| 114 | E | 98.1 | Very high | 98.3 | Very high | 121 Ų | 121 | 104.7 Ų | 104.7 | 57% | 0.565 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.1 | -49.4 | 174.8 | -172.8 | -173.4 | 170.1 | 0 | 0 | 111.3 | A110 L116 K117 L118 | A110-E114 PolarHBondContact O-N 3.23Å; E114-L116 VanDerWaalsContact C-N 3.32Å; E114-L116 PolarHBondContact O-N 2.87Å; E114-K117 PolarHBondContact O-N 3.38Å; E114-L118 HydrophobicContact CG-CD1 4.07Å; E114-L118 HydrophobicContact CG-CG 4.48Å; E114-L118 WeakPolarHBondContact O-CG 3.35Å; E114-L118 PolarHBondContact O-N 3.28Å |
| 115 | H | 98.4 | Very high | 98.2 | Very high | 113 Ų | 113 | 103.5 Ų | 103.5 | 52% | 0.523 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.9 | -40.2 | 177.4 | 177.1 | -89.3 | 0 | 0 | 0 | 112.5 | Q111 Q119 | Q111-H115 WeakPolarHBondContact O-CB 3.33Å; Q111-H115 PolarHBondContact O-N 3.44Å; H115-Q119 WeakPolarHBondContact O-CB 3.22Å; H115-Q119 PolarHBondContact O-N 3.13Å |
| 116 | L | 98.6 | Very high | 98.2 | Very high | 109 Ų | 109 | 106.9 Ų | 106.9 | 57% | 0.571 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.7 | -42.4 | 175.4 | -178 | 61.5 | 0 | 0 | 0 | 111.9 | L112 Q113 E114 Q119 Q120 | L112-L116 WeakPolarHBondContact O-CB 3.46Å; L112-L116 PolarHBondContact O-N 3.38Å; Q113-L116 PolarHBondContact O-N 3.34Å; E114-L116 VanDerWaalsContact C-N 3.32Å; E114-L116 PolarHBondContact O-N 2.87Å; L116-Q119 PolarHBondContact O-N 2.97Å; L116-Q120 PolarHBondContact O-N 3.34Å |
| 117 | K | 98.5 | Very high | 98.1 | Very high | 136 Ų | 136 | 106 Ų | 106 | 59% | 0.591 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.1 | -49.4 | 175.6 | -177.4 | -172.7 | 171.9 | -170.3 | 0 | 111.3 | Q113 E114 Q119 Q120 E121 | Q113-K117 WeakPolarHBondContact O-CB 3.34Å; Q113-K117 PolarHBondContact O-N 3.43Å; E114-K117 PolarHBondContact O-N 3.38Å; K117-Q119 VanDerWaalsContact C-N 3.28Å; K117-Q119 PolarHBondContact O-N 3.46Å; K117-Q120 WeakPolarHBondContact O-CB 3.46Å; K117-Q120 PolarHBondContact O-N 3.45Å; K117-Q120 VanDerWaalsContact O-N 3.1Å; K117-E121 WeakPolarHBondContact O-CB 3.42Å; K117-E121 PolarHBondContact O-N 2.8Å |
| 118 | L | 98.4 | Very high | 98 | Very high | 91 Ų | 91 | 107 Ų | 107 | 48% | 0.476 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.1 | -37.1 | 178.2 | -70.1 | 171.8 | 0 | 0 | 0 | 111.9 | E114 E121 L122 | E114-L118 HydrophobicContact CG-CD1 4.07Å; E114-L118 HydrophobicContact CG-CG 4.48Å; E114-L118 WeakPolarHBondContact O-CG 3.35Å; E114-L118 PolarHBondContact O-N 3.28Å; L118-E121 PolarHBondContact O-N 3.07Å; L118-L122 VanDerWaalsContact O-CB 3.31Å; L118-L122 WeakPolarHBondContact O-CB 3.41Å; L118-L122 PolarHBondContact O-N 3.48Å |
| 119 | Q | 98.1 | Very high | 97.9 | Very high | 95 Ų | 95 | 105.7 Ų | 105.7 | 44% | 0.444 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.2 | -41.9 | 173.5 | -177.3 | 178 | 114.6 | 0 | 0 | 112.2 | H115 L116 K117 Q123 | H115-Q119 WeakPolarHBondContact O-CB 3.22Å; H115-Q119 PolarHBondContact O-N 3.13Å; L116-Q119 PolarHBondContact O-N 2.97Å; K117-Q119 VanDerWaalsContact C-N 3.28Å; K117-Q119 PolarHBondContact O-N 3.46Å; Q119-Q123 VanDerWaalsContact O-CG 3.29Å; Q119-Q123 WeakPolarHBondContact O-CG 3.25Å; Q119-Q123 PolarHBondContact O-N 2.83Å |
| 120 | Q | 97.5 | Very high | 97.8 | Very high | 137 Ų | 137 | 107 Ų | 107 | 64% | 0.64 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -68.8 | -42 | 177.2 | -170.2 | 177.2 | 23.4 | 0 | 0 | 111.8 | L116 K117 Q123 A124 | L116-Q120 PolarHBondContact O-N 3.34Å; K117-Q120 WeakPolarHBondContact O-CB 3.46Å; K117-Q120 PolarHBondContact O-N 3.45Å; K117-Q120 VanDerWaalsContact O-N 3.1Å; Q120-Q123 WeakPolarHBondContact O-CB 3.47Å; Q120-Q123 PolarHBondContact O-N 2.86Å; Q120-A124 PolarHBondContact O-N 2.97Å |
| 121 | E | 97.6 | Very high | 97.8 | Very high | 101 Ų | 101 | 110.1 Ų | 110.1 | 47% | 0.472 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.7 | -42.9 | 178.1 | -170 | 172.8 | 156.6 | 0 | 0 | 111.8 | K117 L118 Q123 A124 M125 | K117-E121 WeakPolarHBondContact O-CB 3.42Å; K117-E121 PolarHBondContact O-N 2.8Å; L118-E121 PolarHBondContact O-N 3.07Å; E121-Q123 VanDerWaalsContact C-N 3.31Å; E121-Q123 PolarHBondContact O-N 2.92Å; E121-A124 PolarHBondContact O-N 3.22Å; E121-M125 WeakPolarHBondContact O-CB 3.15Å; E121-M125 PolarHBondContact O-N 2.85Å |
| 122 | L | 98.3 | Very high | 97.7 | Very high | 85 Ų | 85 | 106.6 Ų | 106.6 | 45% | 0.445 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.4 | -35.6 | 174.7 | -174.4 | 64.5 | 0 | 0 | 0 | 112.3 | L118 K126 | L118-L122 VanDerWaalsContact O-CB 3.31Å; L118-L122 WeakPolarHBondContact O-CB 3.41Å; L118-L122 PolarHBondContact O-N 3.48Å; L122-K126 VanDerWaalsContact O-CB 3.32Å; L122-K126 WeakPolarHBondContact O-CB 3.28Å; L122-K126 PolarHBondContact O-N 2.93Å |
| 123 | Q | 97.4 | Very high | 97.5 | Very high | 105 Ų | 105 | 106.4 Ų | 106.4 | 49% | 0.491 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.8 | -42.8 | 174 | -72.3 | 172.9 | 24.7 | 0 | 0 | 111.8 | Q119 Q120 E121 K126 Q127 | Q119-Q123 VanDerWaalsContact O-CG 3.29Å; Q119-Q123 WeakPolarHBondContact O-CG 3.25Å; Q119-Q123 PolarHBondContact O-N 2.83Å; Q120-Q123 WeakPolarHBondContact O-CB 3.47Å; Q120-Q123 PolarHBondContact O-N 2.86Å; E121-Q123 VanDerWaalsContact C-N 3.31Å; E121-Q123 PolarHBondContact O-N 2.92Å; Q123-K126 PolarHBondContact O-N 3.43Å; Q123-Q127 WeakPolarHBondContact O-CG 3.33Å; Q123-Q127 PolarHBondContact O-N 3.43Å |
| 124 | A | 98.2 | Very high | 97.4 | Very high | 55 Ų | 55 | 107.2 Ų | 107.2 | 46% | 0.455 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64 | -47.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q120 E121 K126 Q127 Q128 | Q120-A124 PolarHBondContact O-N 2.97Å; E121-A124 PolarHBondContact O-N 3.22Å; A124-K126 VanDerWaalsContact C-N 3.29Å; A124-K126 PolarHBondContact O-N 3.45Å; A124-Q127 PolarHBondContact O-N 3.17Å; A124-Q128 PolarHBondContact O-N 3.47Å |
| 125 | M | 97.6 | Very high | 97.3 | Very high | 86 Ų | 86 | 108.2 Ų | 108.2 | 42% | 0.424 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -58 | -41.2 | 175.1 | -171.7 | -154.8 | -62.7 | 0 | 0 | 111.5 | E121 Q128 Q129 | E121-M125 WeakPolarHBondContact O-CB 3.15Å; E121-M125 PolarHBondContact O-N 2.85Å; M125-Q128 PolarHBondContact O-N 3.02Å; M125-Q129 WeakPolarHBondContact O-CB 3.22Å; M125-Q129 PolarHBondContact O-N 3.21Å |
| 126 | K | 97.1 | Very high | 97.2 | Very high | 139 Ų | 139 | 110.6 Ų | 110.6 | 60% | 0.604 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.2 | -45.4 | 176.4 | -174 | -168 | 170.6 | -163.4 | 0 | 111.8 | L122 Q123 A124 Q128 Q129 E130 | L122-K126 VanDerWaalsContact O-CB 3.32Å; L122-K126 WeakPolarHBondContact O-CB 3.28Å; L122-K126 PolarHBondContact O-N 2.93Å; Q123-K126 PolarHBondContact O-N 3.43Å; A124-K126 VanDerWaalsContact C-N 3.29Å; A124-K126 PolarHBondContact O-N 3.45Å; K126-Q128 VanDerWaalsContact C-N 3.35Å; K126-Q129 PolarHBondContact O-N 3.34Å; K126-E130 PolarHBondContact O-N 2.94Å |
| 127 | Q | 97.3 | Very high | 97.1 | Very high | 129 Ų | 129 | 112.9 Ų | 112.9 | 60% | 0.603 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62.7 | -42.1 | 177.3 | -70.9 | 176.7 | 8.8 | 0 | 0 | 111.4 | Q123 A124 Q129 E130 L131 | Q123-Q127 WeakPolarHBondContact O-CG 3.33Å; Q123-Q127 PolarHBondContact O-N 3.43Å; A124-Q127 PolarHBondContact O-N 3.17Å; Q127-Q129 PolarHBondContact O-N 2.83Å; Q127-E130 PolarHBondContact O-N 3.49Å; Q127-L131 WeakPolarHBondContact O-CG 3.21Å; Q127-L131 PolarHBondContact O-N 3.31Å |
| 128 | Q | 96.5 | Very high | 97 | Very high | 138 Ų | 138 | 111.3 Ų | 111.3 | 65% | 0.645 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.8 | -42.1 | 175.1 | -167 | -178.3 | 23.6 | 0 | 0 | 112.1 | A124 M125 K126 L131 A132 | A124-Q128 PolarHBondContact O-N 3.47Å; M125-Q128 PolarHBondContact O-N 3.02Å; K126-Q128 VanDerWaalsContact C-N 3.35Å; Q128-L131 PolarHBondContact O-N 2.88Å; Q128-A132 PolarHBondContact O-N 2.94Å |
| 129 | Q | 96.3 | Very high | 96.8 | Very high | 81 Ų | 81 | 113 Ų | 113 | 38% | 0.379 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.4 | -39.6 | 174.8 | 176.8 | 154.7 | 111.8 | 0 | 0 | 112.2 | M125 K126 Q127 A132 E133 K510 | M125-Q129 WeakPolarHBondContact O-CB 3.22Å; M125-Q129 PolarHBondContact O-N 3.21Å; K126-Q129 PolarHBondContact O-N 3.34Å; Q127-Q129 PolarHBondContact O-N 2.83Å; Q129-A132 PolarHBondContact O-N 3.35Å; Q129-E133 WeakPolarHBondContact O-CB 3.33Å; Q129-E133 PolarHBondContact O-N 3.06Å; Q129-K510 VanDerWaalsContact OE1-NZ 3.16Å |
| 130 | E | 96.4 | Very high | 96.7 | Very high | 129 Ų | 129 | 113.8 Ų | 113.8 | 60% | 0.603 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -67.5 | -38.5 | 178.1 | -170.5 | 170.3 | 161.9 | 0 | 0 | 112.2 | K126 Q127 K134 | K126-E130 PolarHBondContact O-N 2.94Å; Q127-E130 PolarHBondContact O-N 3.49Å; E130-K134 WeakPolarHBondContact O-CB 3.44Å; E130-K134 PolarHBondContact O-N 3Å |
| 131 | L | 97.3 | Very high | 96.6 | Very high | 118 Ų | 118 | 113.5 Ų | 113.5 | 62% | 0.618 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64.5 | -48.2 | 173.2 | -69.2 | 172.2 | 0 | 0 | 0 | 111.9 | Q127 Q128 E133 K134 E135 | Q127-L131 WeakPolarHBondContact O-CG 3.21Å; Q127-L131 PolarHBondContact O-N 3.31Å; Q128-L131 PolarHBondContact O-N 2.88Å; L131-E133 VanDerWaalsContact C-N 3.32Å; L131-E133 PolarHBondContact O-N 2.82Å; L131-K134 WeakPolarHBondContact O-CB 3.23Å; L131-K134 PolarHBondContact O-N 3.34Å; L131-K134 VanDerWaalsContact O-N 3.15Å; L131-E135 PolarHBondContact O-N 3.36Å |
| 132 | A | 96.4 | Very high | 96.5 | Very high | 53 Ų | 53 | 115.1 Ų | 115.1 | 44% | 0.438 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.7 | -33.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q128 Q129 R136 | Q128-A132 PolarHBondContact O-N 2.94Å; Q129-A132 PolarHBondContact O-N 3.35Å; A132-R136 PolarHBondContact O-N 2.89Å; A132-R136 VanDerWaalsContact O-N 3.1Å |
| 133 | E | 95.8 | Very high | 96.4 | Very high | 93 Ų | 93 | 117 Ų | 117 | 44% | 0.435 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -70.4 | -38.1 | 172.9 | -157.7 | -166.4 | 142.1 | 0 | 0 | 111.7 | Q129 L131 E135 R136 R137 | Q129-E133 WeakPolarHBondContact O-CB 3.33Å; Q129-E133 PolarHBondContact O-N 3.06Å; L131-E133 VanDerWaalsContact C-N 3.32Å; L131-E133 PolarHBondContact O-N 2.82Å; E133-E135 VanDerWaalsContact C-N 3.35Å; E133-R136 PolarHBondContact O-N 3.4Å; E133-R137 WeakPolarHBondContact O-CB 3.36Å; E133-R137 VanDerWaalsContact O-CG 3.24Å; E133-R137 WeakPolarHBondContact O-CG 3.37Å; E133-R137 PolarHBondContact O-N 2.81Å; E133-R137 IonicContact OE1-CZ 3.71Å; E133-R137 IonicContact OE1-NE 3.19Å; E133-R137 PolarHBondContact OE1-NE 3.42Å; E133-R137 IonicContact OE1-NH2 2.81Å; E133-R137 PolarHBondContact OE1-NH2 2.87Å |
| 134 | K | 96.1 | Very high | 96.3 | Very high | 138 Ų | 138 | 117.8 Ų | 117.8 | 60% | 0.6 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -62.8 | -40.8 | 175.2 | -175.9 | -176.6 | 176.1 | -172.6 | 0 | 111.8 | E130 L131 R137 L138 | E130-K134 WeakPolarHBondContact O-CB 3.44Å; E130-K134 PolarHBondContact O-N 3Å; L131-K134 WeakPolarHBondContact O-CB 3.23Å; L131-K134 PolarHBondContact O-N 3.34Å; L131-K134 VanDerWaalsContact O-N 3.15Å; K134-R137 PolarHBondContact O-N 3.18Å; K134-L138 PolarHBondContact O-N 3.35Å; K134-L138 VanDerWaalsContact O-N 3.09Å |
| 135 | E | 94.9 | Very high | 96.2 | Very high | 141 Ų | 141 | 120.6 Ų | 120.6 | 66% | 0.659 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -61.9 | -52.5 | 174.6 | -175.6 | 171.9 | -156.5 | 0 | 0 | 111.6 | L131 E133 R137 L138 E139 | L131-E135 PolarHBondContact O-N 3.36Å; E133-E135 VanDerWaalsContact C-N 3.35Å; E135-R137 PolarHBondContact O-N 2.96Å; E135-L138 WeakPolarHBondContact O-CB 3.34Å; E135-L138 PolarHBondContact O-N 2.8Å; E135-E139 PolarHBondContact O-N 3.5Å |
| 136 | R | 96.5 | Very high | 96 | Very high | 163 Ų | 163 | 121.6 Ų | 121.6 | 62% | 0.615 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -55.7 | -37.2 | 174.2 | -177 | -170.9 | -71.8 | -169.1 | -6.3 | 112.8 | A132 E133 Q140 | A132-R136 PolarHBondContact O-N 2.89Å; A132-R136 VanDerWaalsContact O-N 3.1Å; E133-R136 PolarHBondContact O-N 3.4Å; R136-Q140 VanDerWaalsContact O-CB 3.3Å; R136-Q140 WeakPolarHBondContact O-CB 3.47Å; R136-Q140 PolarHBondContact O-N 2.79Å |
| 137 | R | 96.6 | Very high | 95.9 | Very high | 158 Ų | 158 | 120.3 Ų | 120.3 | 60% | 0.596 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -68 | -34.8 | 176.9 | -74.2 | 170.7 | -179.5 | -154.2 | 8.1 | 112.3 | E133 K134 E135 Q141 | E133-R137 WeakPolarHBondContact O-CB 3.36Å; E133-R137 VanDerWaalsContact O-CG 3.24Å; E133-R137 WeakPolarHBondContact O-CG 3.37Å; E133-R137 PolarHBondContact O-N 2.81Å; E133-R137 IonicContact OE1-CZ 3.71Å; E133-R137 IonicContact OE1-NE 3.19Å; E133-R137 PolarHBondContact OE1-NE 3.42Å; E133-R137 IonicContact OE1-NH2 2.81Å; E133-R137 PolarHBondContact OE1-NH2 2.87Å; K134-R137 PolarHBondContact O-N 3.18Å; E135-R137 PolarHBondContact O-N 2.96Å; R137-Q141 WeakPolarHBondContact O-CB 3.37Å; R137-Q141 PolarHBondContact O-N 2.92Å |
| 138 | L | 96.6 | Very high | 95.8 | Very high | 102 Ų | 102 | 120.8 Ų | 120.8 | 53% | 0.534 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -68.6 | -45.7 | 173.5 | -79.9 | 158.2 | 0 | 0 | 0 | 111.3 | K134 E135 Q141 Q142 | K134-L138 PolarHBondContact O-N 3.35Å; K134-L138 VanDerWaalsContact O-N 3.09Å; E135-L138 WeakPolarHBondContact O-CB 3.34Å; E135-L138 PolarHBondContact O-N 2.8Å; L138-Q141 PolarHBondContact O-N 3.42Å; L138-Q142 PolarHBondContact O-N 3.47Å |
| 139 | E | 94.9 | Very high | 95.7 | Very high | 128 Ų | 128 | 119.3 Ų | 119.3 | 60% | 0.598 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -57.7 | -48.3 | 173.8 | -175.6 | -172 | -157.7 | 0 | 0 | 111.5 | E135 Q141 Q142 Q143 | E135-E139 PolarHBondContact O-N 3.5Å; E139-Q141 VanDerWaalsContact C-N 3.31Å; E139-Q141 PolarHBondContact O-N 3.49Å; E139-Q142 WeakPolarHBondContact O-CB 3.5Å; E139-Q142 PolarHBondContact O-N 3.17Å; E139-Q143 PolarHBondContact O-N 2.92Å |
| 140 | Q | 95.2 | Very high | 95.6 | Very high | 110 Ų | 110 | 120.4 Ų | 120.4 | 51% | 0.514 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -62.5 | -36 | 176.7 | 179.3 | 169.5 | 92.5 | 0 | 0 | 112.7 | R136 Q144 | R136-Q140 VanDerWaalsContact O-CB 3.3Å; R136-Q140 WeakPolarHBondContact O-CB 3.47Å; R136-Q140 PolarHBondContact O-N 2.79Å; Q140-Q144 WeakPolarHBondContact O-CG 3.46Å; Q140-Q144 PolarHBondContact O-N 2.96Å |
| 141 | Q | 95.6 | Very high | 95.5 | Very high | 131 Ų | 131 | 119.8 Ų | 119.8 | 61% | 0.612 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -68.2 | -40.8 | 174.3 | 178.8 | 170.3 | 91 | 0 | 0 | 111.7 | R137 L138 E139 Q144 Q145 | R137-Q141 WeakPolarHBondContact O-CB 3.37Å; R137-Q141 PolarHBondContact O-N 2.92Å; L138-Q141 PolarHBondContact O-N 3.42Å; E139-Q141 VanDerWaalsContact C-N 3.31Å; E139-Q141 PolarHBondContact O-N 3.49Å; Q141-Q144 PolarHBondContact O-N 2.89Å; Q141-Q145 WeakPolarHBondContact O-CB 3.49Å; Q141-Q145 PolarHBondContact O-N 2.95Å |
| 142 | Q | 96.6 | Very high | 95.3 | Very high | 136 Ų | 136 | 119.1 Ų | 119.1 | 64% | 0.636 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -62.7 | -44.6 | 175.1 | -170.8 | -173.3 | 98.9 | 0 | 0 | 111.1 | L138 E139 Q145 Q146 | L138-Q142 PolarHBondContact O-N 3.47Å; E139-Q142 WeakPolarHBondContact O-CB 3.5Å; E139-Q142 PolarHBondContact O-N 3.17Å; Q142-Q145 PolarHBondContact O-N 3.03Å; Q142-Q146 PolarHBondContact O-N 3.23Å |
| 143 | Q | 95.2 | Very high | 95.2 | Very high | 125 Ų | 125 | 121.9 Ų | 121.9 | 58% | 0.584 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -63.7 | -41.2 | 177.3 | -172.1 | 174.4 | 82.2 | 0 | 0 | 112.2 | E139 Q146 Q147 | E139-Q143 PolarHBondContact O-N 2.92Å; Q143-Q146 PolarHBondContact O-N 3.44Å; Q143-Q147 WeakPolarHBondContact O-CB 3.44Å; Q143-Q147 PolarHBondContact O-N 3.43Å |
| 144 | Q | 95.6 | Very high | 95.1 | Very high | 120 Ų | 120 | 123.4 Ų | 123.4 | 56% | 0.561 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -62.8 | -41.1 | 172.6 | -75.9 | 177.3 | 31.8 | 0 | 0 | 112.2 | Q140 Q141 Q147 Q148 | Q140-Q144 WeakPolarHBondContact O-CG 3.46Å; Q140-Q144 PolarHBondContact O-N 2.96Å; Q141-Q144 PolarHBondContact O-N 2.89Å; Q144-Q147 PolarHBondContact O-N 3.22Å; Q144-Q148 WeakPolarHBondContact O-CB 3.48Å; Q144-Q148 PolarHBondContact O-N 3.37Å |
| 145 | Q | 95.1 | Very high | 94.8 | Very high | 115 Ų | 115 | 123.4 Ų | 123.4 | 54% | 0.537 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -64.8 | -43 | 177 | -175.2 | 176.7 | 93.5 | 0 | 0 | 111.7 | Q141 Q142 Q148 Q149 | Q141-Q145 WeakPolarHBondContact O-CB 3.49Å; Q141-Q145 PolarHBondContact O-N 2.95Å; Q142-Q145 PolarHBondContact O-N 3.03Å; Q145-Q148 PolarHBondContact O-N 3.45Å; Q145-Q149 WeakPolarHBondContact O-CG 3.4Å; Q145-Q149 PolarHBondContact O-N 2.83Å |
| 146 | Q | 94.9 | Very high | 94.6 | Very high | 107 Ų | 107 | 123.1 Ų | 123.1 | 50% | 0.5 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.2 | -42.8 | 176 | -170.2 | -174.1 | 85.8 | 0 | 0 | 111.6 | Q142 Q143 Q148 Q149 Q150 | Q142-Q146 PolarHBondContact O-N 3.23Å; Q143-Q146 PolarHBondContact O-N 3.44Å; Q146-Q148 VanDerWaalsContact C-N 3.33Å; Q146-Q148 PolarHBondContact O-N 2.84Å; Q146-Q149 WeakPolarHBondContact O-CB 3.32Å; Q146-Q149 PolarHBondContact O-N 2.83Å; Q146-Q149 VanDerWaalsContact O-N 3.17Å; Q146-Q150 WeakPolarHBondContact O-CG 3.38Å; Q146-Q150 PolarHBondContact O-N 3.18Å |
| 147 | Q | 94.8 | Very high | 94.3 | Very high | 112 Ų | 112 | 119.9 Ų | 119.9 | 52% | 0.523 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64.7 | -36.4 | 176.3 | -169.9 | 170.1 | 95.4 | 0 | 0 | 112.1 | Q143 Q144 Q150 Q151 | Q143-Q147 WeakPolarHBondContact O-CB 3.44Å; Q143-Q147 PolarHBondContact O-N 3.43Å; Q144-Q147 PolarHBondContact O-N 3.22Å; Q147-Q150 PolarHBondContact O-N 3.42Å; Q147-Q151 PolarHBondContact O-N 3.21Å |
| 148 | Q | 94.9 | Very high | 94.1 | Very high | 139 Ų | 139 | 118.2 Ų | 118.2 | 65% | 0.65 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -68.2 | -34.7 | 172.5 | -177.1 | 166.9 | 82.2 | 0 | 0 | 112.4 | Q144 Q145 Q146 Q151 N152 | Q144-Q148 WeakPolarHBondContact O-CB 3.48Å; Q144-Q148 PolarHBondContact O-N 3.37Å; Q145-Q148 PolarHBondContact O-N 3.45Å; Q146-Q148 VanDerWaalsContact C-N 3.33Å; Q146-Q148 PolarHBondContact O-N 2.84Å; Q148-Q151 PolarHBondContact O-N 2.87Å; Q148-N152 WeakPolarHBondContact O-CB 3.49Å; Q148-N152 PolarHBondContact O-N 2.91Å |
| 149 | Q | 94.4 | Very high | 93.7 | Very high | 107 Ų | 107 | 115.8 Ų | 115.8 | 50% | 0.5 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66.7 | -35.1 | 171.3 | -71.8 | 175.9 | 16.2 | 0 | 0 | 112.3 | Q145 Q146 Q153 | Q145-Q149 WeakPolarHBondContact O-CG 3.4Å; Q145-Q149 PolarHBondContact O-N 2.83Å; Q146-Q149 WeakPolarHBondContact O-CB 3.32Å; Q146-Q149 PolarHBondContact O-N 2.83Å; Q146-Q149 VanDerWaalsContact O-N 3.17Å; Q149-Q153 WeakPolarHBondContact O-CG 3.45Å; Q149-Q153 PolarHBondContact O-N 3.07Å; Q149-Q153 VanDerWaalsContact O-N 3.09Å; Q149-Q153 PolarHBondContact O-NE2 2.88Å |
| 150 | Q | 94.6 | Very high | 93.5 | Very high | 103 Ų | 103 | 116.1 Ų | 116.1 | 48% | 0.481 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.6 | -45.7 | 173.3 | -69.6 | 175.1 | 16.3 | 0 | 0 | 111.7 | Q146 Q147 N152 Q153 Q154 | Q146-Q150 WeakPolarHBondContact O-CG 3.38Å; Q146-Q150 PolarHBondContact O-N 3.18Å; Q147-Q150 PolarHBondContact O-N 3.42Å; Q150-N152 PolarHBondContact O-N 2.66Å; Q150-Q153 PolarHBondContact O-N 3.39Å; Q150-Q154 PolarHBondContact O-N 3.44Å |
| 151 | Q | 93.5 | Very high | 93.3 | Very high | 117 Ų | 117 | 116 Ų | 116 | 55% | 0.547 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60 | -42.9 | 175.7 | -73.5 | 179.7 | -6.4 | 0 | 0 | 112.5 | Q147 Q148 Q153 Q154 E155 | Q147-Q151 PolarHBondContact O-N 3.21Å; Q148-Q151 PolarHBondContact O-N 2.87Å; Q151-Q153 VanDerWaalsContact C-N 3.29Å; Q151-Q153 PolarHBondContact O-N 2.9Å; Q151-Q154 PolarHBondContact O-N 3.45Å; Q151-E155 PolarHBondContact O-N 3.38Å |
| 152 | N | 94.1 | Very high | 92.9 | Very high | 103 Ų | 103 | 117.4 Ų | 117.4 | 55% | 0.551 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -67.2 | -29.4 | 178 | -164.1 | -14.9 | 0 | 0 | 0 | 112.1 | Q148 Q150 K156 | Q148-N152 WeakPolarHBondContact O-CB 3.49Å; Q148-N152 PolarHBondContact O-N 2.91Å; Q150-N152 PolarHBondContact O-N 2.66Å; N152-K156 VanDerWaalsContact O-CB 3.25Å; N152-K156 WeakPolarHBondContact O-CB 3.41Å; N152-K156 PolarHBondContact O-N 3.14Å; N152-K156 VanDerWaalsContact O-N 3.09Å |
| 153 | Q | 93.5 | Very high | 92.4 | Very high | 112 Ų | 112 | 118.3 Ų | 118.3 | 52% | 0.523 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -69.5 | -46.9 | 170.4 | -76 | 170.8 | 107.1 | 0 | 0 | 111.8 | Q149 Q150 Q151 E155 K156 E157 | Q149-Q153 WeakPolarHBondContact O-CG 3.45Å; Q149-Q153 PolarHBondContact O-N 3.07Å; Q149-Q153 VanDerWaalsContact O-N 3.09Å; Q149-Q153 PolarHBondContact O-NE2 2.88Å; Q150-Q153 PolarHBondContact O-N 3.39Å; Q151-Q153 VanDerWaalsContact C-N 3.29Å; Q151-Q153 PolarHBondContact O-N 2.9Å; Q153-E155 VanDerWaalsContact C-N 3.35Å; Q153-E155 PolarHBondContact O-N 2.83Å; Q153-K156 CarbonylContact O-C 3.59Å; Q153-K156 WeakPolarHBondContact O-CB 3.24Å; Q153-K156 PolarHBondContact O-N 3.06Å; Q153-K156 VanDerWaalsContact O-N 3.12Å; Q153-E157 WeakPolarHBondContact O-CG 3.43Å; Q153-E157 PolarHBondContact O-N 2.89Å |
| 154 | Q | 92.8 | Very high | 91.9 | Very high | 124 Ų | 124 | 116.5 Ų | 116.5 | 58% | 0.579 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -59.9 | -41.6 | 174.8 | -73 | -174.9 | -23.4 | 0 | 0 | 112.5 | Q150 Q151 K156 E157 L158 | Q150-Q154 PolarHBondContact O-N 3.44Å; Q151-Q154 PolarHBondContact O-N 3.45Å; Q154-K156 VanDerWaalsContact C-N 3.31Å; Q154-K156 PolarHBondContact O-N 2.79Å; Q154-E157 PolarHBondContact O-N 3.34Å; Q154-L158 WeakPolarHBondContact O-CB 3.45Å; Q154-L158 PolarHBondContact O-N 3.33Å |
| 155 | E | 91.3 | Very high | 91.2 | Very high | 139 Ų | 139 | 117.5 Ų | 117.5 | 65% | 0.65 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62 | -39.9 | 175 | -172.9 | 177 | 174.2 | 0 | 0 | 111.4 | Q151 Q153 E157 E159 | Q151-E155 PolarHBondContact O-N 3.38Å; Q153-E155 VanDerWaalsContact C-N 3.35Å; Q153-E155 PolarHBondContact O-N 2.83Å; E155-E157 VanDerWaalsContact C-N 3.34Å; E155-E157 PolarHBondContact O-N 3.47Å; E155-E159 VanDerWaalsContact O-CB 3.26Å; E155-E159 WeakPolarHBondContact O-CB 3.23Å; E155-E159 PolarHBondContact O-N 2.97Å |
| 156 | K | 90.4 | Very high | 90.3 | Very high | 135 Ų | 135 | 117.8 Ų | 117.8 | 59% | 0.587 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -70.1 | -27.3 | 176.8 | -170.8 | 177.7 | -178.5 | -177.2 | 0 | 113.4 | N152 Q153 Q154 R160 | N152-K156 VanDerWaalsContact O-CB 3.25Å; N152-K156 WeakPolarHBondContact O-CB 3.41Å; N152-K156 PolarHBondContact O-N 3.14Å; N152-K156 VanDerWaalsContact O-N 3.09Å; Q153-K156 CarbonylContact O-C 3.59Å; Q153-K156 WeakPolarHBondContact O-CB 3.24Å; Q153-K156 PolarHBondContact O-N 3.06Å; Q153-K156 VanDerWaalsContact O-N 3.12Å; Q154-K156 VanDerWaalsContact C-N 3.31Å; Q154-K156 PolarHBondContact O-N 2.79Å; K156-R160 PolarHBondContact O-N 3.03Å; K156-R160 VanDerWaalsContact O-N 3.11Å |
| 157 | E | 90.2 | Very high | 89.5 | Confident | 94 Ų | 94 | 117.4 Ų | 117.4 | 44% | 0.439 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -77.8 | -45.3 | 173.5 | -73.9 | 167.1 | 173.6 | 0 | 0 | 111.6 | Q153 Q154 E155 E159 R160 H161 | Q153-E157 WeakPolarHBondContact O-CG 3.43Å; Q153-E157 PolarHBondContact O-N 2.89Å; Q154-E157 PolarHBondContact O-N 3.34Å; E155-E157 VanDerWaalsContact C-N 3.34Å; E155-E157 PolarHBondContact O-N 3.47Å; E157-E159 VanDerWaalsContact C-N 3.28Å; E157-E159 PolarHBondContact O-N 3.49Å; E157-R160 WeakPolarHBondContact O-CA 3.49Å; E157-R160 WeakPolarHBondContact O-CB 3.41Å; E157-R160 PolarHBondContact O-N 2.65Å; E157-H161 PolarHBondContact O-N 2.93Å |
| 158 | L | 91.4 | Very high | 88.6 | Confident | 123 Ų | 123 | 115.1 Ų | 115.1 | 64% | 0.644 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -56.2 | -41.9 | 169 | -80.9 | 160.1 | 0 | 0 | 0 | 111.9 | Q154 R160 H161 R162 | Q154-L158 WeakPolarHBondContact O-CB 3.45Å; Q154-L158 PolarHBondContact O-N 3.33Å; L158-R160 VanDerWaalsContact C-N 3.32Å; L158-R160 PolarHBondContact O-N 3.3Å; L158-H161 PolarHBondContact O-N 3.47Å; L158-R162 WeakPolarHBondContact O-CB 3.45Å; L158-R162 PolarHBondContact O-N 3.44Å |
| 159 | E | 89.4 | Confident | 87.5 | Confident | 51 Ų | 51 | 111.5 Ų | 111.5 | 24% | 0.238 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -66.3 | -32.3 | 174.5 | 175.4 | 59.3 | -176.2 | 0 | 0 | 112.7 | E155 E157 R162 R163 | E155-E159 VanDerWaalsContact O-CB 3.26Å; E155-E159 WeakPolarHBondContact O-CB 3.23Å; E155-E159 PolarHBondContact O-N 2.97Å; E157-E159 VanDerWaalsContact C-N 3.28Å; E157-E159 PolarHBondContact O-N 3.49Å; E159-R162 VanDerWaalsContact CD-NH2 3.29Å; E159-R162 IonicContact OE1-NH2 3.09Å; E159-R162 PolarHBondContact OE1-NH2 3.1Å; E159-R162 VanDerWaalsContact OE1-NH2 3.09Å; E159-R162 IonicContact OE2-CZ 3.1Å; E159-R162 IonicContact OE2-NE 2.75Å; E159-R162 PolarHBondContact OE2-NE 3.46Å; E159-R162 IonicContact OE2-NH2 2.68Å; E159-R162 PolarHBondContact OE2-NH2 2.97Å; E159-R163 WeakPolarHBondContact O-CD 3.41Å; E159-R163 VanDerWaalsContact O-CG 3.26Å; E159-R163 WeakPolarHBondContact O-CG 3.46Å; E159-R163 PolarHBondContact O-N 3.36Å; E159-R163 VanDerWaalsContact O-N 3.17Å; E159-R163 IonicContact OE1-CZ 3.53Å; E159-R163 IonicContact OE1-NE 3.81Å; E159-R163 PolarHBondContact OE1-NE 2.94Å; E159-R163 IonicContact OE1-NH2 3.97Å; E159-R163 PolarHBondContact OE1-NH2 3.11Å |
| 160 | R | 90.5 | Very high | 86.3 | Confident | 136 Ų | 136 | 111.3 Ų | 111.3 | 51% | 0.513 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67.1 | -51.8 | 171.6 | -110.9 | -164.9 | -69.5 | -137.6 | 8.2 | 111.2 | K156 E157 L158 R162 R163 E164 | K156-R160 PolarHBondContact O-N 3.03Å; K156-R160 VanDerWaalsContact O-N 3.11Å; E157-R160 WeakPolarHBondContact O-CA 3.49Å; E157-R160 WeakPolarHBondContact O-CB 3.41Å; E157-R160 PolarHBondContact O-N 2.65Å; L158-R160 VanDerWaalsContact C-N 3.32Å; L158-R160 PolarHBondContact O-N 3.3Å; R160-R162 VanDerWaalsContact C-N 3.28Å; R160-R162 PolarHBondContact O-N 2.97Å; R160-R163 CarbonylContact O-C 3.49Å; R160-R163 WeakPolarHBondContact O-CA 3.34Å; R160-R163 WeakPolarHBondContact O-CB 3.23Å; R160-R163 PolarHBondContact O-N 3Å; R160-E164 WeakPolarHBondContact O-CG 3.08Å; R160-E164 PolarHBondContact O-N 3.36Å |
| 161 | H | 89.9 | Confident | 84.7 | Confident | 108 Ų | 108 | 110.2 Ų | 110.2 | 50% | 0.5 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -59.7 | -36.9 | 177.3 | -66.7 | -32 | 0 | 0 | 0 | 112.7 | E157 L158 R163 E164 Q165 | E157-H161 PolarHBondContact O-N 2.93Å; L158-H161 PolarHBondContact O-N 3.47Å; H161-R163 VanDerWaalsContact C-N 3.35Å; H161-R163 PolarHBondContact O-N 3.09Å; H161-E164 WeakPolarHBondContact CA-OE2 3.38Å; H161-E164 IonicContact CE1-OE2 2.69Å; H161-E164 IonicContact CG-OE2 3.81Å; H161-E164 IonicContact ND1-OE2 2.74Å; H161-E164 PolarHBondContact ND1-OE2 3.18Å; H161-E164 PolarHBondContact O-N 2.87Å; H161-Q165 WeakPolarHBondContact O-CB 3.38Å; H161-Q165 VanDerWaalsContact O-CG 3.3Å; H161-Q165 WeakPolarHBondContact O-CG 3.3Å; H161-Q165 PolarHBondContact O-N 2.91Å |
| 162 | R | 88.3 | Confident | 83 | Confident | 159 Ų | 159 | 110.9 Ų | 110.9 | 60% | 0.6 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -61.3 | -41.2 | 172.6 | -170.9 | 176.3 | 72.9 | 126.9 | 1.9 | 112.3 | L158 E159 R160 H166 | L158-R162 WeakPolarHBondContact O-CB 3.45Å; L158-R162 PolarHBondContact O-N 3.44Å; E159-R162 VanDerWaalsContact CD-NH2 3.29Å; E159-R162 IonicContact OE1-NH2 3.09Å; E159-R162 PolarHBondContact OE1-NH2 3.1Å; E159-R162 VanDerWaalsContact OE1-NH2 3.09Å; E159-R162 IonicContact OE2-CZ 3.1Å; E159-R162 IonicContact OE2-NE 2.75Å; E159-R162 PolarHBondContact OE2-NE 3.46Å; E159-R162 IonicContact OE2-NH2 2.68Å; E159-R162 PolarHBondContact OE2-NH2 2.97Å; R160-R162 VanDerWaalsContact C-N 3.28Å; R160-R162 PolarHBondContact O-N 2.97Å; R162-H166 WeakPolarHBondContact O-CB 3.46Å; R162-H166 PolarHBondContact O-N 3.42Å |
| 163 | R | 86.3 | Confident | 81.2 | Confident | 156 Ų | 156 | 115.8 Ų | 115.8 | 59% | 0.589 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -69.8 | -42.5 | 175.6 | -70.5 | 168.9 | -172.7 | -148.8 | 2.6 | 111.8 | E159 R160 H161 H166 V167 | E159-R163 WeakPolarHBondContact O-CD 3.41Å; E159-R163 VanDerWaalsContact O-CG 3.26Å; E159-R163 WeakPolarHBondContact O-CG 3.46Å; E159-R163 PolarHBondContact O-N 3.36Å; E159-R163 VanDerWaalsContact O-N 3.17Å; E159-R163 IonicContact OE1-CZ 3.53Å; E159-R163 IonicContact OE1-NE 3.81Å; E159-R163 PolarHBondContact OE1-NE 2.94Å; E159-R163 IonicContact OE1-NH2 3.97Å; E159-R163 PolarHBondContact OE1-NH2 3.11Å; R160-R163 CarbonylContact O-C 3.49Å; R160-R163 WeakPolarHBondContact O-CA 3.34Å; R160-R163 WeakPolarHBondContact O-CB 3.23Å; R160-R163 PolarHBondContact O-N 3Å; H161-R163 VanDerWaalsContact C-N 3.35Å; H161-R163 PolarHBondContact O-N 3.09Å; R163-H166 PolarHBondContact O-N 2.96Å; R163-V167 WeakPolarHBondContact O-CB 3.38Å; R163-V167 WeakPolarHBondContact O-CG2 3.34Å; R163-V167 PolarHBondContact O-N 3.42Å |
| 164 | E | 83.7 | Confident | 79.3 | Confident | 86 Ų | 86 | 111.1 Ų | 111.1 | 40% | 0.402 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.8 | -43.2 | 176.9 | -71.3 | 150.6 | -162.3 | 0 | 0 | 111.2 | R160 H161 V167 S168 | R160-E164 WeakPolarHBondContact O-CG 3.08Å; R160-E164 PolarHBondContact O-N 3.36Å; H161-E164 WeakPolarHBondContact CA-OE2 3.38Å; H161-E164 IonicContact CE1-OE2 2.69Å; H161-E164 IonicContact CG-OE2 3.81Å; H161-E164 IonicContact ND1-OE2 2.74Å; H161-E164 PolarHBondContact ND1-OE2 3.18Å; H161-E164 PolarHBondContact O-N 2.87Å; E164-V167 PolarHBondContact O-N 3.21Å; E164-S168 WeakPolarHBondContact O-CB 3.29Å; E164-S168 PolarHBondContact O-N 3.37Å; E164-S168 PolarHBondContact O-OG 3.37Å |
| 165 | Q | 80.4 | Confident | 77.2 | Confident | 142 Ų | 142 | 114.3 Ų | 114.3 | 66% | 0.664 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.5 | -39.9 | 171.1 | -73.4 | 178.2 | 6.1 | 0 | 0 | 112.8 | H161 S168 S169 | H161-Q165 WeakPolarHBondContact O-CB 3.38Å; H161-Q165 VanDerWaalsContact O-CG 3.3Å; H161-Q165 WeakPolarHBondContact O-CG 3.3Å; H161-Q165 PolarHBondContact O-N 2.91Å; Q165-S168 PolarHBondContact O-N 3.17Å; Q165-S169 WeakPolarHBondContact O-CB 3.47Å; Q165-S169 PolarHBondContact O-N 2.94Å; Q165-S169 PolarHBondContact O-OG 2.79Å |
| 166 | H | 77.5 | Confident | 75.4 | Confident | 121 Ų | 121 | 115.5 Ų | 115.5 | 56% | 0.56 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -66.6 | -43.2 | 176.9 | -165.7 | -89.8 | 0 | 0 | 0 | 111.7 | R162 R163 S169 L170 | R162-H166 WeakPolarHBondContact O-CB 3.46Å; R162-H166 PolarHBondContact O-N 3.42Å; R163-H166 PolarHBondContact O-N 2.96Å; H166-S169 PolarHBondContact O-OG 3.09Å; H166-S169 VanDerWaalsContact O-OG 3.08Å; H166-L170 WeakPolarHBondContact O-CB 3.36Å; H166-L170 VanDerWaalsContact O-CG 3.27Å; H166-L170 WeakPolarHBondContact O-CG 3.27Å; H166-L170 PolarHBondContact O-N 3.24Å |
| 167 | V | 77.6 | Confident | 73.6 | Confident | 98 Ų | 98 | 115.9 Ų | 115.9 | 59% | 0.594 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -65.8 | -39.6 | 174.7 | 170.9 | 0 | 0 | 0 | 0 | 110.9 | R163 E164 L170 S171 | R163-V167 WeakPolarHBondContact O-CB 3.38Å; R163-V167 WeakPolarHBondContact O-CG2 3.34Å; R163-V167 PolarHBondContact O-N 3.42Å; E164-V167 PolarHBondContact O-N 3.21Å; V167-L170 PolarHBondContact O-N 3.31Å; V167-S171 VanDerWaalsContact O-CB 3.31Å; V167-S171 WeakPolarHBondContact O-CB 3.36Å; V167-S171 PolarHBondContact O-N 3.07Å |
| 168 | S | 75.4 | Confident | 71.4 | Confident | 64 Ų | 64 | 115.2 Ų | 115.2 | 45% | 0.448 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -69.8 | -40.9 | 179.6 | -57.3 | 0 | 0 | 0 | 0 | 112.4 | E164 Q165 S171 L172 | E164-S168 WeakPolarHBondContact O-CB 3.29Å; E164-S168 PolarHBondContact O-N 3.37Å; E164-S168 PolarHBondContact O-OG 3.37Å; Q165-S168 PolarHBondContact O-N 3.17Å; S168-S171 WeakPolarHBondContact O-CB 3.28Å; S168-S171 PolarHBondContact O-N 3.43Å; S168-L172 WeakPolarHBondContact O-CB 3.22Å; S168-L172 VanDerWaalsContact O-CG 3.3Å; S168-L172 WeakPolarHBondContact O-CG 3.42Å; S168-L172 PolarHBondContact O-N 3.29Å |
| 169 | S | 72.1 | Confident | 69.5 | Low | 63 Ų | 63 | 121.2 Ų | 121.2 | 44% | 0.441 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -68 | -37.3 | 174.8 | 53.3 | 0 | 0 | 0 | 0 | 112.3 | Q165 H166 L172 R173 | Q165-S169 WeakPolarHBondContact O-CB 3.47Å; Q165-S169 PolarHBondContact O-N 2.94Å; Q165-S169 PolarHBondContact O-OG 2.79Å; H166-S169 PolarHBondContact O-OG 3.09Å; H166-S169 VanDerWaalsContact O-OG 3.08Å; S169-L172 PolarHBondContact O-N 3.09Å; S169-R173 WeakPolarHBondContact O-CB 3.43Å; S169-R173 PolarHBondContact O-N 3.45Å |
| 170 | L | 69.2 | Low | 67.7 | Low | 104 Ų | 104 | 124.5 Ų | 124.5 | 55% | 0.545 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -64.7 | -36.2 | 169.1 | -73.3 | 176.7 | 0 | 0 | 0 | 112.8 | H166 V167 G174 | H166-L170 WeakPolarHBondContact O-CB 3.36Å; H166-L170 VanDerWaalsContact O-CG 3.27Å; H166-L170 WeakPolarHBondContact O-CG 3.27Å; H166-L170 PolarHBondContact O-N 3.24Å; V167-L170 PolarHBondContact O-N 3.31Å; L170-G174 VanDerWaalsContact O-CA 3.25Å; L170-G174 WeakPolarHBondContact O-CA 3.48Å; L170-G174 PolarHBondContact O-N 3Å |
| 171 | S | 60.5 | Low | 65.9 | Low | 79 Ų | 79 | 122.5 Ų | 122.5 | 55% | 0.552 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -68.3 | -41 | 175 | -176.3 | 0 | 0 | 0 | 0 | 112.2 | V167 S168 G174 K175 | V167-S171 VanDerWaalsContact O-CB 3.31Å; V167-S171 WeakPolarHBondContact O-CB 3.36Å; V167-S171 PolarHBondContact O-N 3.07Å; S168-S171 WeakPolarHBondContact O-CB 3.28Å; S168-S171 PolarHBondContact O-N 3.43Å; S171-G174 CarbonylContact O-C 3.57Å; S171-G174 VanDerWaalsContact O-CA 3.28Å; S171-G174 WeakPolarHBondContact O-CA 3.5Å; S171-G174 PolarHBondContact O-N 2.89Å; S171-K175 PolarHBondContact O-N 3.31Å |
| 172 | L | 58.1 | Low | 63.8 | Low | 131 Ų | 131 | 124.9 Ų | 124.9 | 69% | 0.686 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -67.8 | -44.2 | 176.6 | -71.2 | 169.2 | 0 | 0 | 0 | 112.3 | S168 S169 G174 | S168-L172 WeakPolarHBondContact O-CB 3.22Å; S168-L172 VanDerWaalsContact O-CG 3.3Å; S168-L172 WeakPolarHBondContact O-CG 3.42Å; S168-L172 PolarHBondContact O-N 3.29Å; S169-L172 PolarHBondContact O-N 3.09Å; L172-G174 PolarHBondContact O-N 2.87Å |
| 173 | R | 57.9 | Low | 61.9 | Low | 206 Ų | 206 | 122.6 Ų | 122.6 | 78% | 0.777 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -66.4 | -22.4 | 166.6 | -84.2 | -79.2 | -105.9 | -168.9 | -8.5 | 112.5 | S169 | S169-R173 WeakPolarHBondContact O-CB 3.43Å; S169-R173 PolarHBondContact O-N 3.45Å |
| 174 | G | 53.1 | Low | 60 | Low | 14 Ų | 14 | 117.6 Ų | 117.6 | 14% | 0.144 | 61% | 0.605 | C | S | . | * | H | α-helix | trans | -72.9 | -20.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | L170 S171 L172 E176 R177 S178 | L170-G174 VanDerWaalsContact O-CA 3.25Å; L170-G174 WeakPolarHBondContact O-CA 3.48Å; L170-G174 PolarHBondContact O-N 3Å; S171-G174 CarbonylContact O-C 3.57Å; S171-G174 VanDerWaalsContact O-CA 3.28Å; S171-G174 WeakPolarHBondContact O-CA 3.5Å; S171-G174 PolarHBondContact O-N 2.89Å; L172-G174 PolarHBondContact O-N 2.87Å; G174-E176 PolarHBondContact O-N 3.48Å; G174-R177 CarbonylContact O-C 3.56Å; G174-R177 PolarHBondContact O-N 3.3Å; G174-S178 WeakPolarHBondContact O-CA 3.47Å; G174-S178 WeakPolarHBondContact O-CB 3.48Å; G174-S178 PolarHBondContact O-N 3.28Å |
| 175 | K | 48.9 | Very low | 58.7 | Low | 191 Ų | 191 | 118.4 Ų | 118.4 | 83% | 0.83 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.7 | -18.6 | 178.9 | -85.5 | -175.1 | 171.9 | 180 | 0 | 114.8 | S171 | S171-K175 PolarHBondContact O-N 3.31Š|
| 176 | E | 53.2 | Low | 57.5 | Low | 164 Ų | 164 | 117.8 Ų | 117.8 | 77% | 0.766 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.9 | -19.4 | 173 | -119.8 | -93.2 | 123 | 0 | 0 | 113.3 | G174 | G174-E176 PolarHBondContact O-N 3.48Š|
| 177 | R | 52.5 | Low | 56.5 | Low | 143 Ų | 143 | 115.6 Ų | 115.6 | 54% | 0.54 | 64% | 0.635 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -131.4 | 7.4 | -170.8 | -58.8 | -166.6 | -178.8 | 163.4 | -0.3 | 115.6 | G174 R179 E180 S181 | G174-R177 CarbonylContact O-C 3.56Å; G174-R177 PolarHBondContact O-N 3.3Å; R177-R179 PolarHBondContact O-N 2.84Å; R177-R179 VanDerWaalsContact O-N 3.12Å; R177-E180 HydrophobicContact CB-CG 3.95Å; R177-E180 WeakPolarHBondContact CB-OE1 3.4Å; R177-E180 VanDerWaalsContact CD-OE1 3.24Å; R177-E180 WeakPolarHBondContact CD-OE1 3.24Å; R177-E180 WeakPolarHBondContact CG-OE1 3.46Å; R177-E180 IonicContact NE-OE1 3.89Å; R177-E180 WeakPolarHBondContact O-CG 3.35Å; R177-E180 PolarHBondContact O-N 2.97Å; R177-S181 PolarHBondContact O-N 3.41Å |
| 178 | S | 44.3 | Very low | 56 | Low | 80 Ų | 80 | 113.9 Ų | 113.9 | 56% | 0.559 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | -10.7 | -177.5 | -171 | 0 | 0 | 0 | 0 | 113.3 | G174 | G174-S178 WeakPolarHBondContact O-CA 3.47Å; G174-S178 WeakPolarHBondContact O-CB 3.48Å; G174-S178 PolarHBondContact O-N 3.28Å |
| 179 | R | 49.8 | Very low | 55.9 | Low | 250 Ų | 250 | 115.3 Ų | 115.3 | 94% | 0.943 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -12.1 | 169.8 | -81.1 | -176.7 | 162.3 | -89.3 | -1.1 | 114.2 | R177 | R177-R179 PolarHBondContact O-N 2.84Å; R177-R179 VanDerWaalsContact O-N 3.12Å |
| 180 | E | 53.2 | Low | 56 | Low | 119 Ų | 119 | 117.7 Ų | 117.7 | 56% | 0.556 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.2 | -23.9 | -179.7 | 54.1 | 175.3 | -177.5 | 0 | 0 | 113.1 | R177 L182 T183 | R177-E180 HydrophobicContact CB-CG 3.95Å; R177-E180 WeakPolarHBondContact CB-OE1 3.4Å; R177-E180 VanDerWaalsContact CD-OE1 3.24Å; R177-E180 WeakPolarHBondContact CD-OE1 3.24Å; R177-E180 WeakPolarHBondContact CG-OE1 3.46Å; R177-E180 IonicContact NE-OE1 3.89Å; R177-E180 WeakPolarHBondContact O-CG 3.35Å; R177-E180 PolarHBondContact O-N 2.97Å; E180-L182 VanDerWaalsContact C-N 3.3Å; E180-L182 PolarHBondContact O-N 3.01Å; E180-T183 PolarHBondContact O-N 2.96Å; E180-T183 VanDerWaalsContact O-N 3.17Å; E180-T183 PolarHBondContact O-OG1 3.27Å |
| 181 | S | 51.2 | Low | 56.4 | Low | 94 Ų | 94 | 117.3 Ų | 117.3 | 66% | 0.657 | 64% | 0.639 | S | S | * | * | G | 310 helix | trans | -76.4 | -13.5 | 173 | -168.3 | 0 | 0 | 0 | 0 | 113.8 | R177 G184 | R177-S181 PolarHBondContact O-N 3.41Å; S181-G184 PolarHBondContact O-N 2.91Å |
| 182 | L | 46.4 | Very low | 57.2 | Low | 159 Ų | 159 | 120.2 Ų | 120.2 | 83% | 0.832 | 64% | 0.642 | S | S | * | * | G | 310 helix | trans | -73.6 | -19.7 | 167.7 | -154.9 | 79.4 | 0 | 0 | 0 | 111.6 | E180 G184 | E180-L182 VanDerWaalsContact C-N 3.3Å; E180-L182 PolarHBondContact O-N 3.01Å; L182-G184 VanDerWaalsContact C-N 3.32Å |
| 183 | T | 48.9 | Very low | 58.2 | Low | 110 Ų | 110 | 119.4 Ų | 119.4 | 68% | 0.675 | 64% | 0.635 | S | S | * | * | G | 310 helix | trans | -94.2 | 23.6 | 171.1 | 38.8 | 0 | 0 | 0 | 0 | 113 | E180 A185 | E180-T183 PolarHBondContact O-N 2.96Å; E180-T183 VanDerWaalsContact O-N 3.17Å; E180-T183 PolarHBondContact O-OG1 3.27Å; T183-A185 PolarHBondContact O-N 2.95Å |
| 184 | G | 46.3 | Very low | 59.4 | Low | 52 Ų | 52 | 117 Ų | 117 | 54% | 0.536 | 63% | 0.63 | S | S | . | * | trans | -62.7 | 97.3 | 160.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | S181 L182 V186 | S181-G184 PolarHBondContact O-N 2.91Å; L182-G184 VanDerWaalsContact C-N 3.32Å; G184-V186 VanDerWaalsContact C-N 3.35Å; G184-V186 PolarHBondContact O-N 3.49Å | ||
| 185 | A | 55.8 | Low | 60.8 | Low | 103 Ų | 103 | 121 Ų | 121 | 85% | 0.851 | 65% | 0.647 | S | S | * | * | trans | -67.8 | 81.8 | -163.2 | 0 | 0 | 0 | 0 | 0 | 114 | T183 A187 | T183-A185 PolarHBondContact O-N 2.95Å; A185-A187 PolarHBondContact O-N 3.15Å | ||
| 186 | V | 55.1 | Low | 62.1 | Low | 129 Ų | 129 | 117.5 Ų | 117.5 | 78% | 0.782 | 63% | 0.634 | S | S | * | * | trans | -67.2 | 98.7 | 161.5 | -175.1 | 0 | 0 | 0 | 0 | 107.1 | G184 S188 | G184-V186 VanDerWaalsContact C-N 3.35Å; G184-V186 PolarHBondContact O-N 3.49Å; V186-S188 PolarHBondContact O-N 3.02Å | ||
| 187 | A | 57.2 | Low | 63.4 | Low | 74 Ų | 74 | 114 Ų | 114 | 61% | 0.612 | 62% | 0.617 | S | S | * | * | trans | -53.4 | 124.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | A185 T189 | A185-A187 PolarHBondContact O-N 3.15Å; A187-T189 PolarHBondContact O-N 3.49Å | ||
| 188 | S | 67.4 | Low | 64.8 | Low | 63 Ų | 63 | 113.1 Ų | 113.1 | 44% | 0.441 | 62% | 0.618 | S | S | . | * | trans | -43.2 | 133.6 | -166.1 | -136.3 | 0 | 0 | 0 | 0 | 112.2 | V186 E190 V191 K192 | V186-S188 PolarHBondContact O-N 3.02Å; S188-E190 WeakPolarHBondContact CB-OE2 3.5Å; S188-E190 PolarHBondContact O-N 2.89Å; S188-E190 VanDerWaalsContact O-N 3.09Å; S188-E190 PolarHBondContact OG-OE2 3.43Å; S188-V191 CarbonylContact O-C 3.6Å; S188-V191 WeakPolarHBondContact O-CA 3.44Å; S188-V191 WeakPolarHBondContact O-CB 3.4Å; S188-V191 PolarHBondContact O-N 3.04Å; S188-K192 PolarHBondContact O-N 3.41Å | ||
| 189 | T | 72 | Confident | 66.7 | Low | 94 Ų | 94 | 114.5 Ų | 114.5 | 58% | 0.577 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -53.1 | -36.2 | -177.5 | 18 | 0 | 0 | 0 | 0 | 112.1 | A187 K192 Q193 | A187-T189 PolarHBondContact O-N 3.49Å; T189-K192 PolarHBondContact O-N 2.96Å; T189-Q193 VanDerWaalsContact O-CB 3.23Å; T189-Q193 WeakPolarHBondContact O-CB 3.2Å; T189-Q193 PolarHBondContact O-N 3.03Å |
| 190 | E | 74.9 | Confident | 68 | Low | 113 Ų | 113 | 107.2 Ų | 107.2 | 53% | 0.528 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -68.4 | -41.8 | 178.3 | -49 | 63.4 | -122.8 | 0 | 0 | 110.2 | S188 K194 | S188-E190 WeakPolarHBondContact CB-OE2 3.5Å; S188-E190 PolarHBondContact O-N 2.89Å; S188-E190 VanDerWaalsContact O-N 3.09Å; S188-E190 PolarHBondContact OG-OE2 3.43Å; E190-K194 WeakPolarHBondContact O-CB 3.25Å; E190-K194 PolarHBondContact O-N 3.28Å |
| 191 | V | 76.5 | Confident | 68.8 | Low | 95 Ų | 95 | 106.5 Ų | 106.5 | 58% | 0.576 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -71 | -41 | 177 | 176.1 | 0 | 0 | 0 | 0 | 110.8 | S188 K194 L195 | S188-V191 CarbonylContact O-C 3.6Å; S188-V191 WeakPolarHBondContact O-CA 3.44Å; S188-V191 WeakPolarHBondContact O-CB 3.4Å; S188-V191 PolarHBondContact O-N 3.04Å; V191-K194 PolarHBondContact O-N 2.86Å; V191-L195 WeakPolarHBondContact O-CB 3.38Å; V191-L195 PolarHBondContact O-N 3.14Å |
| 192 | K | 78.4 | Confident | 69.4 | Low | 141 Ų | 141 | 108.1 Ų | 108.1 | 61% | 0.613 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -63.1 | -43.8 | 174.7 | -177.2 | 178.6 | 176.9 | -178.1 | 0 | 111.2 | S188 T189 L195 Q196 | S188-K192 PolarHBondContact O-N 3.41Å; T189-K192 PolarHBondContact O-N 2.96Å; K192-L195 PolarHBondContact O-N 3.28Å; K192-Q196 WeakPolarHBondContact O-CB 3.11Å; K192-Q196 PolarHBondContact O-N 3.49Å |
| 193 | Q | 80 | Confident | 70 | Confident | 113 Ų | 113 | 105.3 Ų | 105.3 | 53% | 0.528 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -67.1 | -45.6 | 176.2 | -177.9 | 172.4 | -20.8 | 0 | 0 | 111.3 | T189 L195 Q196 E197 | T189-Q193 VanDerWaalsContact O-CB 3.23Å; T189-Q193 WeakPolarHBondContact O-CB 3.2Å; T189-Q193 PolarHBondContact O-N 3.03Å; Q193-L195 VanDerWaalsContact C-N 3.27Å; Q193-L195 PolarHBondContact O-N 2.9Å; Q193-Q196 CarbonylContact O-C 3.58Å; Q193-Q196 WeakPolarHBondContact O-CB 3.49Å; Q193-Q196 PolarHBondContact O-N 3.1Å; Q193-Q196 VanDerWaalsContact O-N 3.13Å; Q193-E197 HydrophobicContact CG-CG 4.4Å; Q193-E197 VanDerWaalsContact CG-OE1 3.29Å; Q193-E197 WeakPolarHBondContact CG-OE1 3.44Å; Q193-E197 PolarHBondContact NE2-OE1 3.38Å; Q193-E197 WeakPolarHBondContact O-CB 3.24Å; Q193-E197 WeakPolarHBondContact O-CG 3.4Å; Q193-E197 PolarHBondContact O-N 2.96Å |
| 194 | K | 81.1 | Confident | 70.4 | Confident | 156 Ų | 156 | 103.9 Ų | 103.9 | 68% | 0.678 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -64.6 | -31 | 176.5 | -141.3 | -177.5 | -168.2 | -175.5 | 0 | 112.5 | E190 V191 F198 | E190-K194 WeakPolarHBondContact O-CB 3.25Å; E190-K194 PolarHBondContact O-N 3.28Å; V191-K194 PolarHBondContact O-N 2.86Å; K194-F198 WeakPolarHBondContact O-CB 3.5Å; K194-F198 PolarHBondContact O-N 3.46Å |
| 195 | L | 83 | Confident | 70.8 | Confident | 97 Ų | 97 | 109.5 Ų | 109.5 | 51% | 0.508 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -70.2 | -41.7 | 172.4 | -178.3 | 62 | 0 | 0 | 0 | 111.2 | V191 K192 Q193 F198 L199 | V191-L195 WeakPolarHBondContact O-CB 3.38Å; V191-L195 PolarHBondContact O-N 3.14Å; K192-L195 PolarHBondContact O-N 3.28Å; Q193-L195 VanDerWaalsContact C-N 3.27Å; Q193-L195 PolarHBondContact O-N 2.9Å; L195-F198 PolarHBondContact O-N 3.01Å; L195-L199 HydrophobicContact CD1-CD1 4.41Å; L195-L199 HydrophobicContact CD1-CG 4.42Å; L195-L199 HydrophobicContact CG-CD1 4.19Å; L195-L199 WeakPolarHBondContact O-CB 3.41Å; L195-L199 VanDerWaalsContact O-CG 3.23Å; L195-L199 WeakPolarHBondContact O-CG 3.4Å; L195-L199 PolarHBondContact O-N 2.8Å |
| 196 | Q | 77.5 | Confident | 70 | Confident | 119 Ų | 119 | 111.6 Ų | 111.6 | 56% | 0.556 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -62.2 | -46.4 | 173 | -179.3 | 174.5 | -27.2 | 0 | 0 | 111.4 | K192 Q193 L199 L200 | K192-Q196 WeakPolarHBondContact O-CB 3.11Å; K192-Q196 PolarHBondContact O-N 3.49Å; Q193-Q196 CarbonylContact O-C 3.58Å; Q193-Q196 WeakPolarHBondContact O-CB 3.49Å; Q193-Q196 PolarHBondContact O-N 3.1Å; Q193-Q196 VanDerWaalsContact O-N 3.13Å; Q196-L199 PolarHBondContact O-N 2.88Å; Q196-L200 HydrophobicContact CG-CD1 4.09Å; Q196-L200 WeakPolarHBondContact O-CB 3.28Å; Q196-L200 WeakPolarHBondContact O-CD1 3.48Å; Q196-L200 VanDerWaalsContact O-CG 3.23Å; Q196-L200 WeakPolarHBondContact O-CG 3.19Å; Q196-L200 PolarHBondContact O-N 3.37Å |
| 197 | E | 80 | Confident | 69.7 | Low | 89 Ų | 89 | 110.8 Ų | 110.8 | 42% | 0.416 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -64.5 | -35.5 | 174.3 | -71.6 | 170.6 | -169.4 | 0 | 0 | 112.4 | Q193 N201 | Q193-E197 HydrophobicContact CG-CG 4.4Å; Q193-E197 VanDerWaalsContact CG-OE1 3.29Å; Q193-E197 WeakPolarHBondContact CG-OE1 3.44Å; Q193-E197 PolarHBondContact NE2-OE1 3.38Å; Q193-E197 WeakPolarHBondContact O-CB 3.24Å; Q193-E197 WeakPolarHBondContact O-CG 3.4Å; Q193-E197 PolarHBondContact O-N 2.96Å; E197-N201 WeakPolarHBondContact O-CB 3.44Å; E197-N201 PolarHBondContact O-N 2.88Å |
| 198 | F | 80.8 | Confident | 69.1 | Low | 125 Ų | 125 | 113.7 Ų | 113.7 | 55% | 0.548 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -70.8 | -40.5 | 175.8 | -179.9 | -103.7 | 0 | 0 | 0 | 112.2 | K194 L195 N201 K202 | K194-F198 WeakPolarHBondContact O-CB 3.5Å; K194-F198 PolarHBondContact O-N 3.46Å; L195-F198 PolarHBondContact O-N 3.01Å; F198-N201 PolarHBondContact O-N 3.4Å; F198-K202 HydrophobicContact CD1-CD 4.39Å; F198-K202 HydrophobicContact CD1-CG 4.42Å; F198-K202 HydrophobicContact CE1-CD 3.73Å; F198-K202 HydrophobicContact CE1-CG 4.08Å; F198-K202 HydrophobicContact CE2-CG 4.31Å; F198-K202 HydrophobicContact CZ-CD 3.87Å; F198-K202 HydrophobicContact CZ-CG 4.02Å; F198-K202 VanDerWaalsContact O-CB 3.27Å; F198-K202 WeakPolarHBondContact O-CB 3.14Å; F198-K202 WeakPolarHBondContact O-CG 3.4Å; F198-K202 PolarHBondContact O-N 3.18Å |
| 199 | L | 84.2 | Confident | 67.7 | Low | 109 Ų | 109 | 117.1 Ų | 117.1 | 57% | 0.571 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -64.1 | -43 | 173.5 | -71.8 | 166.9 | 0 | 0 | 0 | 111.2 | L195 Q196 S203 | L195-L199 HydrophobicContact CD1-CD1 4.41Å; L195-L199 HydrophobicContact CD1-CG 4.42Å; L195-L199 HydrophobicContact CG-CD1 4.19Å; L195-L199 WeakPolarHBondContact O-CB 3.41Å; L195-L199 VanDerWaalsContact O-CG 3.23Å; L195-L199 WeakPolarHBondContact O-CG 3.4Å; L195-L199 PolarHBondContact O-N 2.8Å; Q196-L199 PolarHBondContact O-N 2.88Å; L199-S203 PolarHBondContact O-N 3.3Å |
| 200 | L | 77.5 | Confident | 66.2 | Low | 97 Ų | 97 | 121 Ų | 121 | 51% | 0.508 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -64.9 | -47.3 | 174.6 | -70 | 167 | 0 | 0 | 0 | 111.8 | Q196 K202 S203 A204 | Q196-L200 HydrophobicContact CG-CD1 4.09Å; Q196-L200 WeakPolarHBondContact O-CB 3.28Å; Q196-L200 WeakPolarHBondContact O-CD1 3.48Å; Q196-L200 VanDerWaalsContact O-CG 3.23Å; Q196-L200 WeakPolarHBondContact O-CG 3.19Å; Q196-L200 PolarHBondContact O-N 3.37Å; L200-K202 PolarHBondContact O-N 2.95Å; L200-S203 PolarHBondContact O-N 3.38Å; L200-S203 VanDerWaalsContact O-N 3.07Å; L200-S203 PolarHBondContact O-OG 3.35Å; L200-A204 PolarHBondContact O-N 3.06Å |
| 201 | N | 69.9 | Low | 64.5 | Low | 105 Ų | 105 | 118.4 Ų | 118.4 | 56% | 0.561 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -67 | -35.2 | 178.3 | -79.3 | -10.6 | 0 | 0 | 0 | 112.8 | E197 F198 S203 A204 K205 | E197-N201 WeakPolarHBondContact O-CB 3.44Å; E197-N201 PolarHBondContact O-N 2.88Å; F198-N201 PolarHBondContact O-N 3.4Å; N201-S203 PolarHBondContact O-N 3.01Å; N201-A204 CarbonylContact O-C 3.59Å; N201-A204 PolarHBondContact O-N 3.26Å; N201-K205 WeakPolarHBondContact O-CB 3.42Å; N201-K205 PolarHBondContact O-N 3.08Å; N201-K205 VanDerWaalsContact O-N 3.14Å |
| 202 | K | 64.6 | Low | 63.2 | Low | 128 Ų | 128 | 118.9 Ų | 118.9 | 56% | 0.557 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -60.1 | -34.3 | 169.9 | -87.5 | -156.3 | 73.7 | -160.9 | 0 | 112.3 | F198 L200 A204 | F198-K202 HydrophobicContact CD1-CD 4.39Å; F198-K202 HydrophobicContact CD1-CG 4.42Å; F198-K202 HydrophobicContact CE1-CD 3.73Å; F198-K202 HydrophobicContact CE1-CG 4.08Å; F198-K202 HydrophobicContact CE2-CG 4.31Å; F198-K202 HydrophobicContact CZ-CD 3.87Å; F198-K202 HydrophobicContact CZ-CG 4.02Å; F198-K202 VanDerWaalsContact O-CB 3.27Å; F198-K202 WeakPolarHBondContact O-CB 3.14Å; F198-K202 WeakPolarHBondContact O-CG 3.4Å; F198-K202 PolarHBondContact O-N 3.18Å; L200-K202 PolarHBondContact O-N 2.95Å; K202-A204 PolarHBondContact O-N 2.95Å |
| 203 | S | 57.8 | Low | 61.1 | Low | 100 Ų | 100 | 119.4 Ų | 119.4 | 70% | 0.699 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | -10.2 | 175.4 | 75.1 | 0 | 0 | 0 | 0 | 114.1 | L199 L200 N201 | L199-S203 PolarHBondContact O-N 3.3Å; L200-S203 PolarHBondContact O-N 3.38Å; L200-S203 VanDerWaalsContact O-N 3.07Å; L200-S203 PolarHBondContact O-OG 3.35Å; N201-S203 PolarHBondContact O-N 3.01Å |
| 204 | A | 57.6 | Low | 59.1 | Low | 80 Ų | 80 | 121.8 Ų | 121.8 | 66% | 0.661 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.8 | 5 | -169.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | L200 N201 K202 | L200-A204 PolarHBondContact O-N 3.06Å; N201-A204 CarbonylContact O-C 3.59Å; N201-A204 PolarHBondContact O-N 3.26Å; K202-A204 PolarHBondContact O-N 2.95Å |
| 205 | K | 55.2 | Low | 57.1 | Low | 170 Ų | 170 | 119 Ų | 119 | 74% | 0.739 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -142.5 | 38.1 | -169.5 | -146.3 | 179.4 | -177.6 | -179.6 | 0 | 116.6 | N201 | N201-K205 WeakPolarHBondContact O-CB 3.42Å; N201-K205 PolarHBondContact O-N 3.08Å; N201-K205 VanDerWaalsContact O-N 3.14Å |
| 206 | D | 40.3 | Very low | 55.1 | Low | 147 Ų | 147 | 123.3 Ų | 123.3 | 79% | 0.786 | 69% | 0.685 | S | S | * | * | trans | -131.1 | 92.1 | 166.3 | -83.9 | -49.8 | 0 | 0 | 0 | 111.6 | ||||
| 207 | P | 47.6 | Very low | 53.2 | Low | 111 Ų | 111 | 124.1 Ų | 124.1 | 72% | 0.721 | 69% | 0.691 | S | S | * | * | trans | -96.4 | 123.1 | 163.3 | 33.4 | -26.8 | 0 | 0 | 0 | 111.3 | ||||
| 208 | V | 45.3 | Very low | 51.3 | Low | 135 Ų | 135 | 127.3 Ų | 127.3 | 82% | 0.818 | 71% | 0.706 | S | S | * | * | trans | 66.6 | 102.3 | 170.5 | -168.3 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 209 | T | 37.8 | Very low | 49.4 | Very low | 135 Ų | 135 | 129.2 Ų | 129.2 | 83% | 0.828 | 72% | 0.717 | S | S | * | * | -152.7 | 159.7 | 87.1 | 26.2 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 210 | N | 39.5 | Very low | 47.5 | Very low | 175 Ų | 175 | 130.1 Ų | 130.1 | 94% | 0.936 | 73% | 0.729 | S | S | * | * | trans | -75.7 | 138 | -175.3 | -63.2 | -42.9 | 0 | 0 | 0 | 112.8 | ||||
| 211 | G | 39.1 | Very low | 46.1 | Very low | 60 Ų | 60 | 134.4 Ų | 134.4 | 62% | 0.619 | 74% | 0.744 | S | S | * | * | trans | 171.9 | 59.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | N213 | G211-N213 PolarHBondContact O-N 3.17Å; G211-N213 PolarHBondContact O-ND2 3.31Å | ||
| 212 | A | 50.1 | Low | 44.9 | Very low | 105 Ų | 105 | 136.5 Ų | 136.5 | 87% | 0.868 | 75% | 0.754 | S | S | * | * | trans | -32.2 | 118.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 213 | N | 34.6 | Very low | 43.5 | Very low | 151 Ų | 151 | 142.2 Ų | 142.2 | 81% | 0.807 | 77% | 0.772 | S | S | * | * | trans | -149.1 | 129.8 | 176.1 | -89.5 | -77.6 | 0 | 0 | 0 | 114.8 | G211 | G211-N213 PolarHBondContact O-N 3.17Å; G211-N213 PolarHBondContact O-ND2 3.31Å | ||
| 214 | H | 37.5 | Very low | 42.7 | Very low | 164 Ų | 164 | 147.5 Ų | 147.5 | 76% | 0.759 | 78% | 0.778 | S | S | * | * | trans | 36.8 | 113.6 | 143 | -114.3 | -80.7 | 0 | 0 | 0 | 124.2 | ||||
| 215 | T | 39.3 | Very low | 41.8 | Very low | 97 Ų | 97 | 150.7 Ų | 150.7 | 60% | 0.595 | 79% | 0.79 | S | S | * | * | trans | 69.3 | 138.9 | 135 | 41.5 | 0 | 0 | 0 | 0 | 126.5 | ||||
| 216 | F | 41.4 | Very low | 40.9 | Very low | 188 Ų | 188 | 147.4 Ų | 147.4 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | trans | 77.5 | 135.1 | 136.7 | -83.6 | -54.6 | 0 | 0 | 0 | 124.3 | ||||
| 217 | I | 38.3 | Very low | 40.4 | Very low | 136 Ų | 136 | 145.5 Ų | 145.5 | 70% | 0.697 | 79% | 0.786 | S | S | * | * | trans | 80.1 | 101.1 | 148.4 | -65.9 | 167.4 | 0 | 0 | 0 | 120.2 | ||||
| 218 | Q | 39.8 | Very low | 39.8 | Very low | 156 Ų | 156 | 147 Ų | 147 | 73% | 0.729 | 78% | 0.783 | S | S | * | * | 48.6 | 158.1 | 129.3 | -57.9 | -173.5 | -26.3 | 0 | 0 | 124.4 | |||||
| 219 | H | 39.3 | Very low | 39.4 | Very low | 165 Ų | 165 | 148.6 Ų | 148.6 | 76% | 0.764 | 78% | 0.781 | S | S | * | * | trans | 74.8 | 161.9 | 161.4 | -73 | -73.6 | 0 | 0 | 0 | 117.8 | ||||
| 220 | P | 46.3 | Very low | 39.3 | Very low | 128 Ų | 128 | 146.9 Ų | 146.9 | 83% | 0.831 | 78% | 0.781 | S | S | * | * | cis | -126.3 | -155.8 | -15.9 | 27.8 | -4.5 | 0 | 0 | 0 | 114 | ||||
| 221 | K | 47.4 | Very low | 39.1 | Very low | 187 Ų | 187 | 143.8 Ų | 143.8 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | trans | -98.5 | 169.6 | -166.4 | -110.2 | 174.7 | -179.2 | 173.6 | 0 | 114.6 | ||||
| 222 | L | 43.6 | Very low | 39 | Very low | 149 Ų | 149 | 147.9 Ų | 147.9 | 78% | 0.78 | 78% | 0.78 | S | S | * | * | trans | 77.2 | 162.9 | 166.5 | -63.3 | 157.8 | 0 | 0 | 0 | 113.8 | ||||
| 223 | W | 36.3 | Very low | 38.2 | Very low | 248 Ų | 248 | 148.4 Ų | 148.4 | 94% | 0.939 | 77% | 0.768 | S | S | * | * | cis | -136.8 | -168.4 | 33.6 | -80.4 | 68.4 | 0 | 0 | 0 | 115.1 | ||||
| 224 | Y | 40 | Very low | 38.3 | Very low | 211 Ų | 211 | 148.6 Ų | 148.6 | 83% | 0.827 | 77% | 0.765 | S | S | * | * | trans | -130.9 | 121.3 | -160.5 | -175.8 | -81.5 | 0 | 0 | 0 | 110.7 | ||||
| 225 | T | 39.7 | Very low | 37.9 | Very low | 147 Ų | 147 | 146.2 Ų | 146.2 | 90% | 0.902 | 77% | 0.766 | S | S | * | * | trans | -143.9 | 158.8 | 169 | 45.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 226 | S | 36.2 | Very low | 37.5 | Very low | 100 Ų | 100 | 147 Ų | 147 | 70% | 0.699 | 78% | 0.775 | S | S | * | * | trans | -119.5 | 146.4 | -176.1 | 179.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 227 | S | 29.1 | Very low | 38.5 | Very low | 108 Ų | 108 | 143.6 Ų | 143.6 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | trans | -164.1 | 157.4 | 132 | -157.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 228 | H | 34.7 | Very low | 39.1 | Very low | 142 Ų | 142 | 142.2 Ų | 142.2 | 66% | 0.657 | 77% | 0.772 | S | S | * | * | trans | -86.1 | -177.9 | -162.4 | -56.1 | -118.4 | 0 | 0 | 0 | 115.4 | ||||
| 229 | H | 38.3 | Very low | 39 | Very low | 168 Ų | 168 | 143 Ų | 143 | 78% | 0.778 | 78% | 0.78 | S | S | * | * | trans | 94.8 | 135.4 | 148.6 | -48.4 | -63.3 | 0 | 0 | 0 | 120.3 | ||||
| 230 | A | 34.4 | Very low | 38.6 | Very low | 100 Ų | 100 | 139.3 Ų | 139.3 | 83% | 0.826 | 79% | 0.788 | S | S | * | * | trans | 63.6 | 162.7 | 146.6 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 231 | S | 35 | Very low | 38 | Very low | 109 Ų | 109 | 136.3 Ų | 136.3 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | cis | -167.2 | 163 | -36.6 | -169.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 232 | L | 38.1 | Very low | 37.3 | Very low | 146 Ų | 146 | 134.4 Ų | 134.4 | 76% | 0.764 | 78% | 0.784 | S | S | * | * | trans | 74 | 146.4 | 151.4 | -148 | 67.8 | 0 | 0 | 0 | 120.2 | ||||
| 233 | D | 34.2 | Very low | 36.9 | Very low | 117 Ų | 117 | 132.8 Ų | 132.8 | 63% | 0.626 | 79% | 0.785 | S | S | * | * | trans | 81.9 | 119.3 | 149.5 | -90.5 | 8.4 | 0 | 0 | 0 | 126 | ||||
| 234 | Q | 35.3 | Very low | 37.3 | Very low | 155 Ų | 155 | 126.5 Ų | 126.5 | 72% | 0.724 | 78% | 0.776 | S | S | * | * | trans | 76.4 | 104.6 | 132.7 | -68.1 | -174.1 | 69.9 | 0 | 0 | 123.5 | ||||
| 235 | S | 29.4 | Very low | 36.7 | Very low | 113 Ų | 113 | 122.4 Ų | 122.4 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | 84.1 | 163.7 | 129.9 | 76.2 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 236 | S | 31.1 | Very low | 36 | Very low | 113 Ų | 113 | 120.8 Ų | 120.8 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | trans | -164.3 | 179.5 | -165.4 | -49.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 237 | P | 61.8 | Low | 35.8 | Very low | 118 Ų | 118 | 125 Ų | 125 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | cis | -109.8 | -92.3 | -13.3 | 23.9 | -0.7 | 0 | 0 | 0 | 112.4 | ||||
| 238 | P | 51.7 | Low | 35.7 | Very low | 107 Ų | 107 | 128.9 Ų | 128.9 | 70% | 0.695 | 78% | 0.775 | S | S | * | * | cis | -121.5 | 142.8 | -11.7 | 36.4 | -18.2 | 0 | 0 | 0 | 117.5 | ||||
| 239 | L | 37.8 | Very low | 35.6 | Very low | 171 Ų | 171 | 128.5 Ų | 128.5 | 90% | 0.895 | 78% | 0.783 | S | S | * | * | trans | 46.9 | 117.7 | 139 | -57.1 | 175.9 | 0 | 0 | 0 | 124.3 | ||||
| 240 | G | 31.5 | Very low | 35.7 | Very low | 89 Ų | 89 | 126.4 Ų | 126.4 | 92% | 0.918 | 78% | 0.777 | S | S | * | * | trans | 95.2 | 141.6 | 142.4 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 241 | G | 32.6 | Very low | 36.4 | Very low | 64 Ų | 64 | 127.5 Ų | 127.5 | 66% | 0.66 | 78% | 0.775 | S | S | * | * | cis | 174.1 | 150.9 | -10.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 242 | T | 33.3 | Very low | 36.5 | Very low | 148 Ų | 148 | 127.2 Ų | 127.2 | 91% | 0.908 | 77% | 0.773 | S | S | * | * | trans | 68 | 159.7 | 167.6 | 66.6 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 243 | S | 33.6 | Very low | 37.1 | Very low | 114 Ų | 114 | 125.4 Ų | 125.4 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | trans | -138.8 | 161.6 | 172.5 | -46.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 244 | P | 45.2 | Very low | 37 | Very low | 117 Ų | 117 | 126.6 Ų | 126.6 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | -159.9 | 174.1 | 89 | 42.6 | -22.6 | 0 | 0 | 0 | 118.5 | |||||
| 245 | T | 27.5 | Very low | 36.8 | Very low | 125 Ų | 125 | 127 Ų | 127 | 77% | 0.767 | 78% | 0.777 | S | S | * | * | trans | 57.5 | 110.5 | 147.2 | -54.8 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 246 | C | 25.3 | Very low | 36.9 | Very low | 113 Ų | 113 | 126.7 Ų | 126.7 | 76% | 0.764 | 78% | 0.775 | S | S | * | * | trans | 15.4 | 135.2 | 140.4 | -53 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 247 | Q | 31.1 | Very low | 37 | Very low | 189 Ų | 189 | 130.4 Ų | 130.4 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | -152.5 | 171.8 | 105 | -101.1 | -55.5 | -0.9 | 0 | 0 | 112.5 | |||||
| 248 | Y | 27.7 | Very low | 35.9 | Very low | 188 Ų | 188 | 131.1 Ų | 131.1 | 74% | 0.737 | 77% | 0.774 | S | S | * | * | trans | -114.1 | 132.4 | -165.6 | 168.1 | -85.7 | 0 | 0 | 0 | 114.4 | ||||
| 249 | T | 33.3 | Very low | 35.7 | Very low | 134 Ų | 134 | 133.1 Ų | 133.1 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | trans | -157.8 | 146.1 | 146.7 | -28.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 250 | L | 40.8 | Very low | 35.8 | Very low | 125 Ų | 125 | 132.9 Ų | 132.9 | 65% | 0.654 | 77% | 0.771 | S | S | * | * | trans | -145.5 | 150.5 | 171.5 | -110.7 | 172.2 | 0 | 0 | 0 | 106.9 | ||||
| 251 | P | 48.6 | Very low | 37 | Very low | 123 Ų | 123 | 133.6 Ų | 133.6 | 80% | 0.799 | 76% | 0.76 | S | S | * | * | -142.6 | 170.5 | 77.5 | 35.8 | -17.1 | 0 | 0 | 0 | 116.8 | |||||
| 252 | S | 37.2 | Very low | 38 | Very low | 102 Ų | 102 | 138.4 Ų | 138.4 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | trans | -81.2 | -178.9 | 169.8 | -123.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 253 | P | 50 | Low | 38.9 | Very low | 109 Ų | 109 | 142.3 Ų | 142.3 | 71% | 0.708 | 77% | 0.767 | S | S | * | * | cis | -144.7 | 174.4 | 27.5 | 42.5 | -22.4 | 0 | 0 | 0 | 119.2 | ||||
| 254 | I | 32.1 | Very low | 39.8 | Very low | 141 Ų | 141 | 146.8 Ų | 146.8 | 72% | 0.723 | 77% | 0.772 | S | S | * | * | trans | 130.5 | 125.9 | 132.7 | -140.8 | 68.1 | 0 | 0 | 0 | 117.4 | ||||
| 255 | E | 31.1 | Very low | 39.7 | Very low | 163 Ų | 163 | 147.5 Ų | 147.5 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | trans | 23 | 126.2 | 162.6 | -70.5 | 172.7 | 123 | 0 | 0 | 126 | ||||
| 256 | S | 31.4 | Very low | 40.8 | Very low | 107 Ų | 107 | 146.9 Ų | 146.9 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | trans | 73.8 | 111.2 | 131.1 | 72.1 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 257 | K | 33.5 | Very low | 41.9 | Very low | 191 Ų | 191 | 146 Ų | 146 | 83% | 0.83 | 78% | 0.778 | S | S | * | * | -165.4 | 161.5 | 120.9 | -108 | -75.7 | 152.7 | -165.5 | 0 | 111.2 | |||||
| 258 | D | 38.7 | Very low | 43 | Very low | 133 Ų | 133 | 143.7 Ų | 143.7 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | trans | -71.5 | 137.6 | -170.6 | -49.7 | -94.8 | 0 | 0 | 0 | 114 | ||||
| 259 | D | 46.8 | Very low | 44.3 | Very low | 150 Ų | 150 | 140.2 Ų | 140.2 | 80% | 0.802 | 77% | 0.767 | S | S | * | * | -154.4 | 153.4 | 120.5 | -166.4 | 18.6 | 0 | 0 | 0 | 110.2 | |||||
| 260 | F | 39.9 | Very low | 45.3 | Very low | 166 Ų | 166 | 138.1 Ų | 138.1 | 73% | 0.728 | 75% | 0.751 | S | S | * | * | trans | -138.8 | 127.7 | 177.5 | -110 | -65.2 | 0 | 0 | 0 | 109.6 | ||||
| 261 | P | 56.9 | Low | 46 | Very low | 104 Ų | 104 | 138.8 Ų | 138.8 | 68% | 0.675 | 75% | 0.754 | S | S | * | * | -136.1 | 175.1 | 99.2 | 37.9 | -29 | 0 | 0 | 0 | 114.7 | |||||
| 262 | L | 53.2 | Low | 46.5 | Very low | 164 Ų | 164 | 141.3 Ų | 141.3 | 86% | 0.859 | 75% | 0.753 | S | S | * | * | trans | 74.9 | 95.5 | 174.4 | -52.3 | -179.2 | 0 | 0 | 0 | 116.8 | ||||
| 263 | R | 53.9 | Low | 47.7 | Very low | 231 Ų | 231 | 141 Ų | 141 | 87% | 0.872 | 75% | 0.747 | S | S | * | * | trans | -66.7 | 134.8 | 168.4 | -37 | 163 | -164.7 | 159.7 | 4.9 | 110.1 | ||||
| 264 | K | 51.2 | Low | 48.1 | Very low | 207 Ų | 207 | 145.6 Ų | 145.6 | 90% | 0.9 | 75% | 0.75 | S | S | * | * | trans | -157.6 | 128.1 | 130.4 | -77.5 | -144.8 | 177.5 | 179.7 | 0 | 111.6 | A266 | K264-A266 PolarHBondContact O-N 2.85Š| ||
| 265 | T | 43 | Very low | 49.5 | Very low | 133 Ų | 133 | 142.3 Ų | 142.3 | 82% | 0.816 | 74% | 0.739 | S | S | * | * | trans | -78.6 | 111.9 | 175 | 47 | 0 | 0 | 0 | 0 | 111.1 | S267 | T265-S267 VanDerWaalsContact C-N 3.33Å; T265-S267 PolarHBondContact O-N 3.38Å | ||
| 266 | A | 51.9 | Low | 51 | Low | 112 Ų | 112 | 143.8 Ų | 143.8 | 93% | 0.926 | 74% | 0.738 | S | S | * | * | trans | -93 | 51.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | K264 | K264-A266 PolarHBondContact O-N 2.85Š| ||
| 267 | S | 48.1 | Very low | 52.5 | Low | 95 Ų | 95 | 144 Ų | 144 | 66% | 0.664 | 73% | 0.73 | S | S | * | * | trans | -93.9 | 111.8 | -179 | 54.9 | 0 | 0 | 0 | 0 | 112.6 | T265 | T265-S267 VanDerWaalsContact C-N 3.33Å; T265-S267 PolarHBondContact O-N 3.38Å | ||
| 268 | E | 54.8 | Low | 54 | Low | 139 Ų | 139 | 143.1 Ų | 143.1 | 65% | 0.65 | 73% | 0.726 | S | S | * | * | trans | 66.3 | 133.3 | 163.9 | -69 | -159.5 | -143 | 0 | 0 | 121.8 | ||||
| 269 | P | 53.3 | Low | 55.4 | Low | 115 Ų | 115 | 142.9 Ų | 142.9 | 75% | 0.747 | 72% | 0.721 | S | S | * | * | trans | -122.2 | 32 | 150 | 38.9 | -29.3 | 0 | 0 | 0 | 114.2 | ||||
| 270 | N | 55.6 | Low | 56.3 | Low | 90 Ų | 90 | 141.9 Ų | 141.9 | 48% | 0.481 | 71% | 0.709 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.4 | -11.9 | -169.6 | -91.5 | -55.8 | 0 | 0 | 0 | 117.1 | K272 V273 | N270-K272 VanDerWaalsContact C-N 3.3Å; N270-K272 PolarHBondContact O-N 2.95Å; N270-V273 PolarHBondContact O-N 2.82Å |
| 271 | L | 55.4 | Low | 57.5 | Low | 139 Ų | 139 | 137.5 Ų | 137.5 | 73% | 0.728 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -61.4 | -34 | -179.1 | -74.1 | 106.9 | 0 | 0 | 0 | 113.8 | V273 S275 | L271-V273 PolarHBondContact O-N 3.4Å; L271-S275 VanDerWaalsContact O-CB 3.28Å; L271-S275 WeakPolarHBondContact O-CB 3.45Å; L271-S275 PolarHBondContact O-N 3.44Å; L271-S275 VanDerWaalsContact O-N 3.08Å |
| 272 | K | 59.7 | Low | 57.7 | Low | 177 Ų | 177 | 135.6 Ų | 135.6 | 77% | 0.77 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -67.9 | -32 | -176.9 | -73.4 | 177.5 | 178.3 | 172.7 | 0 | 113.2 | N270 R276 | N270-K272 VanDerWaalsContact C-N 3.3Å; N270-K272 PolarHBondContact O-N 2.95Å; K272-R276 PolarHBondContact O-N 2.83Å; K272-R276 VanDerWaalsContact O-N 3.07Å |
| 273 | V | 61.1 | Low | 58.1 | Low | 96 Ų | 96 | 134.1 Ų | 134.1 | 58% | 0.582 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -75.3 | -48.2 | -179.3 | -176.8 | 0 | 0 | 0 | 0 | 110.8 | N270 L271 S275 R276 L277 | N270-V273 PolarHBondContact O-N 2.82Å; L271-V273 PolarHBondContact O-N 3.4Å; V273-S275 VanDerWaalsContact C-N 3.28Å; V273-S275 PolarHBondContact O-N 2.69Å; V273-R276 PolarHBondContact O-N 2.74Å; V273-L277 WeakPolarHBondContact O-CB 3.34Å; V273-L277 PolarHBondContact O-N 2.89Å |
| 274 | R | 58.4 | Low | 58.5 | Low | 204 Ų | 204 | 133.1 Ų | 133.1 | 77% | 0.77 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -61.5 | -37.2 | 176.3 | -66.9 | 174.2 | 78 | 176.7 | 3.6 | 111.6 | K278 | R274-K278 PolarHBondContact O-N 3.39Å; R274-K278 VanDerWaalsContact O-N 3.07Å |
| 275 | S | 61.6 | Low | 58.9 | Low | 72 Ų | 72 | 133.1 Ų | 133.1 | 50% | 0.503 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -62.2 | -56.3 | 173.3 | 178.9 | 0 | 0 | 0 | 0 | 112.5 | L271 V273 L277 K278 Q279 | L271-S275 VanDerWaalsContact O-CB 3.28Å; L271-S275 WeakPolarHBondContact O-CB 3.45Å; L271-S275 PolarHBondContact O-N 3.44Å; L271-S275 VanDerWaalsContact O-N 3.08Å; V273-S275 VanDerWaalsContact C-N 3.28Å; V273-S275 PolarHBondContact O-N 2.69Å; S275-L277 VanDerWaalsContact C-N 3.26Å; S275-L277 PolarHBondContact O-N 3.44Å; S275-K278 PolarHBondContact O-N 2.93Å; S275-K278 VanDerWaalsContact O-N 3.17Å; S275-Q279 PolarHBondContact O-N 2.87Å |
| 276 | R | 63.7 | Low | 59.4 | Low | 194 Ų | 194 | 130.9 Ų | 130.9 | 73% | 0.732 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -60.8 | -32.1 | 178 | -87.2 | -169.2 | 166.5 | -167.9 | -3.4 | 113.4 | K272 V273 K280 | K272-R276 PolarHBondContact O-N 2.83Å; K272-R276 VanDerWaalsContact O-N 3.07Å; V273-R276 PolarHBondContact O-N 2.74Å; R276-K280 WeakPolarHBondContact O-CB 3.3Å; R276-K280 PolarHBondContact O-N 2.89Å |
| 277 | L | 61.3 | Low | 58.9 | Low | 111 Ų | 111 | 129.8 Ų | 129.8 | 58% | 0.581 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -67.2 | -47.1 | 175.1 | -174.3 | 59.8 | 0 | 0 | 0 | 111.5 | V273 S275 Q279 K280 V281 | V273-L277 WeakPolarHBondContact O-CB 3.34Å; V273-L277 PolarHBondContact O-N 2.89Å; S275-L277 VanDerWaalsContact C-N 3.26Å; S275-L277 PolarHBondContact O-N 3.44Å; L277-Q279 VanDerWaalsContact C-N 3.34Å; L277-Q279 PolarHBondContact O-N 3.44Å; L277-K280 PolarHBondContact O-N 2.93Å; L277-V281 VanDerWaalsContact O-CG2 3.29Å; L277-V281 WeakPolarHBondContact O-CG2 3.49Å; L277-V281 PolarHBondContact O-N 3.02Å |
| 278 | K | 65.2 | Low | 59.3 | Low | 174 Ų | 174 | 130.8 Ų | 130.8 | 76% | 0.757 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -60.2 | -42.5 | 173.3 | -101.7 | -161.3 | 171.1 | -168.6 | 0 | 112.1 | R274 S275 K280 V281 A282 | R274-K278 PolarHBondContact O-N 3.39Å; R274-K278 VanDerWaalsContact O-N 3.07Å; S275-K278 PolarHBondContact O-N 2.93Å; S275-K278 VanDerWaalsContact O-N 3.17Å; K278-K280 PolarHBondContact O-N 3.35Å; K278-V281 PolarHBondContact O-N 3.01Å; K278-A282 PolarHBondContact O-N 3.36Å |
| 279 | Q | 68 | Low | 59.1 | Low | 127 Ų | 127 | 131.3 Ų | 131.3 | 59% | 0.593 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -58.3 | -49.6 | 178.1 | -171.1 | 176.7 | 8 | 0 | 0 | 111.7 | S275 L277 V281 A282 E283 | S275-Q279 PolarHBondContact O-N 2.87Å; L277-Q279 VanDerWaalsContact C-N 3.34Å; L277-Q279 PolarHBondContact O-N 3.44Å; Q279-V281 VanDerWaalsContact C-N 3.29Å; Q279-V281 PolarHBondContact O-N 3.35Å; Q279-A282 PolarHBondContact O-N 3.1Å; Q279-E283 WeakPolarHBondContact O-CB 3.19Å; Q279-E283 PolarHBondContact O-N 3.29Å |
| 280 | K | 66.8 | Low | 58.9 | Low | 129 Ų | 129 | 133.3 Ų | 133.3 | 56% | 0.561 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -71.1 | -21.2 | -179.9 | -162.5 | 167.4 | 66.5 | 174.5 | 0 | 113.6 | R276 L277 K278 R284 | R276-K280 WeakPolarHBondContact O-CB 3.3Å; R276-K280 PolarHBondContact O-N 2.89Å; L277-K280 PolarHBondContact O-N 2.93Å; K278-K280 PolarHBondContact O-N 3.35Å; K280-R284 PolarHBondContact O-N 3.05Å |
| 281 | V | 63.9 | Low | 58.9 | Low | 75 Ų | 75 | 136.6 Ų | 136.6 | 46% | 0.455 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -76.9 | -35.4 | 171.1 | 168.4 | 0 | 0 | 0 | 0 | 111.9 | L277 K278 Q279 R285 | L277-V281 VanDerWaalsContact O-CG2 3.29Å; L277-V281 WeakPolarHBondContact O-CG2 3.49Å; L277-V281 PolarHBondContact O-N 3.02Å; K278-V281 PolarHBondContact O-N 3.01Å; Q279-V281 VanDerWaalsContact C-N 3.29Å; Q279-V281 PolarHBondContact O-N 3.35Å; V281-R285 WeakPolarHBondContact O-CG 3.43Å |
| 282 | A | 61.1 | Low | 59.3 | Low | 63 Ų | 63 | 141.2 Ų | 141.2 | 52% | 0.521 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -69.7 | -48.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | K278 Q279 R284 R285 S286 | K278-A282 PolarHBondContact O-N 3.36Å; Q279-A282 PolarHBondContact O-N 3.1Å; A282-R284 PolarHBondContact O-N 3.21Å; A282-R285 PolarHBondContact O-N 3.49Å; A282-S286 PolarHBondContact O-N 2.96Å; A282-S286 VanDerWaalsContact O-N 3.16Å |
| 283 | E | 62 | Low | 58.8 | Low | 133 Ų | 133 | 143.3 Ų | 143.3 | 62% | 0.621 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -53.9 | -36.5 | 178.9 | -176.7 | -178.5 | -156.8 | 0 | 0 | 113.2 | Q279 S286 | Q279-E283 WeakPolarHBondContact O-CB 3.19Å; Q279-E283 PolarHBondContact O-N 3.29Å; E283-S286 PolarHBondContact O-OG 3.24Å |
| 284 | R | 61.7 | Low | 57.8 | Low | 211 Ų | 211 | 144.4 Ų | 144.4 | 80% | 0.796 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | 4.9 | 176.8 | -73.5 | -163.8 | 168.1 | -152.1 | -4.3 | 115.2 | K280 A282 | K280-R284 PolarHBondContact O-N 3.05Å; A282-R284 PolarHBondContact O-N 3.21Å |
| 285 | R | 60.7 | Low | 56.8 | Low | 207 Ų | 207 | 138.4 Ų | 138.4 | 78% | 0.781 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.2 | -10.3 | 176.7 | -64 | -178 | 102.2 | 137.9 | 3.5 | 113.7 | V281 A282 S287 | V281-R285 WeakPolarHBondContact O-CG 3.43Å; A282-R285 PolarHBondContact O-N 3.49Å; R285-S287 PolarHBondContact O-N 3.24Å |
| 286 | S | 53.8 | Low | 55.6 | Low | 86 Ų | 86 | 141.6 Ų | 141.6 | 60% | 0.601 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -75.7 | 93.5 | 153.7 | 48.2 | 0 | 0 | 0 | 0 | 109.4 | A282 E283 | A282-S286 PolarHBondContact O-N 2.96Å; A282-S286 VanDerWaalsContact O-N 3.16Å; E283-S286 PolarHBondContact O-OG 3.24Å |
| 287 | S | 41.8 | Very low | 54.4 | Low | 89 Ų | 89 | 139 Ų | 139 | 62% | 0.622 | 69% | 0.691 | S | S | * | * | trans | -61.9 | 129.2 | -162.9 | -59.1 | 0 | 0 | 0 | 0 | 115.6 | R285 | R285-S287 PolarHBondContact O-N 3.24Š| ||
| 288 | P | 56.6 | Low | 53.3 | Low | 116 Ų | 116 | 139.5 Ų | 139.5 | 75% | 0.753 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -74.8 | 133.4 | 163.2 | 31.2 | -32.5 | 0 | 0 | 0 | 110.9 | ||
| 289 | M | 49.1 | Very low | 51.8 | Low | 150 Ų | 150 | 137.5 Ų | 137.5 | 74% | 0.739 | 70% | 0.696 | S | S | * | * | trans | 58 | 67.2 | 168.7 | -58.4 | -161.5 | 77.6 | 0 | 0 | 118.3 | ||||
| 290 | L | 49.3 | Very low | 51.3 | Low | 157 Ų | 157 | 137.6 Ų | 137.6 | 82% | 0.822 | 71% | 0.707 | S | S | * | * | -85.8 | 117.9 | 128.7 | -83.8 | 74.6 | 0 | 0 | 0 | 105.8 | |||||
| 291 | K | 55 | Low | 49.5 | Very low | 158 Ų | 158 | 140.4 Ų | 140.4 | 69% | 0.687 | 72% | 0.716 | S | S | * | * | cis | 73.9 | 86.9 | 36.7 | -67.6 | -167 | 174.3 | -177.2 | 0 | 116 | ||||
| 292 | R | 64.2 | Low | 48 | Very low | 237 Ų | 237 | 145.1 Ų | 145.1 | 89% | 0.894 | 73% | 0.73 | S | S | * | * | trans | 53.5 | 118.4 | 134.4 | -49.9 | -169.5 | -47.1 | 159.5 | 11.4 | 119.7 | ||||
| 293 | R | 48.6 | Very low | 46.9 | Very low | 221 Ų | 221 | 149 Ų | 149 | 83% | 0.834 | 74% | 0.735 | S | S | * | * | trans | -163.1 | 110.3 | 156 | -156.1 | -117.1 | -168.8 | -116.9 | 10.6 | 104.8 | ||||
| 294 | D | 41 | Very low | 45.7 | Very low | 118 Ų | 118 | 153.2 Ų | 153.2 | 63% | 0.631 | 75% | 0.746 | S | S | * | * | cis | -128.7 | 164.5 | 0.7 | -64.4 | -73 | 0 | 0 | 0 | 108.9 | ||||
| 295 | G | 38.3 | Very low | 44.2 | Very low | 79 Ų | 79 | 147.6 Ų | 147.6 | 81% | 0.814 | 74% | 0.744 | S | S | * | * | 77.5 | 117.7 | 70.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 296 | N | 34.8 | Very low | 42.9 | Very low | 138 Ų | 138 | 145.3 Ų | 145.3 | 74% | 0.738 | 75% | 0.747 | S | S | * | * | cis | -147.8 | 154.6 | 8.6 | -160.9 | 22.5 | 0 | 0 | 0 | 107.2 | ||||
| 297 | I | 39.3 | Very low | 41.8 | Very low | 140 Ų | 140 | 148.6 Ų | 148.6 | 72% | 0.718 | 75% | 0.753 | S | S | * | * | -156.4 | 129.1 | 62.2 | -75.8 | 174.1 | 0 | 0 | 0 | 111.4 | |||||
| 298 | I | 37.9 | Very low | 41.5 | Very low | 122 Ų | 122 | 151.2 Ų | 151.2 | 63% | 0.626 | 76% | 0.758 | S | S | * | * | trans | 28.5 | 113.1 | 135.3 | -46 | 177 | 0 | 0 | 0 | 117.3 | ||||
| 299 | T | 34.7 | Very low | 40.7 | Very low | 131 Ų | 131 | 154 Ų | 154 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | 83.1 | 149.3 | 53.4 | 69.2 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 300 | P | 56.5 | Low | 39.6 | Very low | 129 Ų | 129 | 153.3 Ų | 153.3 | 84% | 0.838 | 76% | 0.763 | S | S | * | * | trans | -120.4 | 171.1 | -148.4 | 43.2 | -33.4 | 0 | 0 | 0 | 118.4 | ||||
| 301 | Y | 29.2 | Very low | 38.5 | Very low | 188 Ų | 188 | 151 Ų | 151 | 74% | 0.737 | 76% | 0.76 | S | S | * | * | trans | -144.3 | 137.5 | 172.9 | -164.8 | -85.4 | 0 | 0 | 0 | 108.1 | ||||
| 302 | K | 31.5 | Very low | 37.2 | Very low | 175 Ų | 175 | 148 Ų | 148 | 76% | 0.761 | 76% | 0.764 | S | S | * | * | cis | 114.9 | 140 | 10.5 | -162.6 | -179.8 | -176.4 | 175.9 | 0 | 112.5 | ||||
| 303 | K | 39.2 | Very low | 35.6 | Very low | 143 Ų | 143 | 141.8 Ų | 141.8 | 62% | 0.622 | 75% | 0.754 | S | S | * | * | trans | 80.5 | 124 | 170.9 | -66.2 | -171.1 | 173.4 | -179.3 | 0 | 120.4 | ||||
| 304 | R | 36.9 | Very low | 34.6 | Very low | 222 Ų | 222 | 137.3 Ų | 137.3 | 84% | 0.838 | 75% | 0.752 | S | S | * | * | trans | 64 | 134.8 | 152.8 | -61.2 | -179 | -64.4 | -174.9 | 4.4 | 116.7 | ||||
| 305 | A | 30.4 | Very low | 34.1 | Very low | 93 Ų | 93 | 138.4 Ų | 138.4 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | cis | 81 | 89.1 | 26.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 306 | L | 33.4 | Very low | 33.9 | Very low | 159 Ų | 159 | 139.8 Ų | 139.8 | 83% | 0.832 | 76% | 0.755 | S | S | * | * | trans | -157.9 | 134 | 131.8 | -151.3 | 67 | 0 | 0 | 0 | 110.7 | ||||
| 307 | E | 30.6 | Very low | 34 | Very low | 155 Ų | 155 | 137.6 Ų | 137.6 | 72% | 0.724 | 76% | 0.756 | S | S | * | * | trans | 16.7 | 164.7 | 156.1 | -62.9 | -179 | -167.3 | 0 | 0 | 125.4 | ||||
| 308 | I | 34.1 | Very low | 34.3 | Very low | 145 Ų | 145 | 134.4 Ų | 134.4 | 74% | 0.744 | 74% | 0.744 | S | S | * | * | trans | 70.7 | 108.8 | 169.7 | -51.9 | 116.9 | 0 | 0 | 0 | 113.7 | ||||
| 309 | M | 40.8 | Very low | 34.2 | Very low | 174 Ų | 174 | 131.7 Ų | 131.7 | 86% | 0.857 | 75% | 0.746 | S | S | * | * | cis | -141.6 | 124.6 | 17.9 | -171.4 | 150.1 | 51.1 | 0 | 0 | 112.4 | ||||
| 310 | D | 24.8 | Very low | 34.5 | Very low | 136 Ų | 136 | 128.7 Ų | 128.7 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | trans | -69.2 | 166.6 | 173.1 | -50.5 | -90.1 | 0 | 0 | 0 | 111.4 | ||||
| 311 | S | 27.6 | Very low | 34.1 | Very low | 109 Ų | 109 | 124 Ų | 124 | 76% | 0.762 | 71% | 0.706 | S | S | * | * | cis | -153.6 | 150 | 18.5 | -40.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 312 | A | 27.3 | Very low | 34.8 | Very low | 94 Ų | 94 | 119.8 Ų | 119.8 | 78% | 0.777 | 70% | 0.702 | S | S | * | * | trans | 64.9 | 177.2 | 147.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 313 | P | 30.8 | Very low | 34.9 | Very low | 106 Ų | 106 | 116.7 Ų | 116.7 | 69% | 0.688 | 70% | 0.702 | S | S | * | * | -135.3 | 160.9 | -95.6 | 38.8 | -20.7 | 0 | 0 | 0 | 116.5 | |||||
| 314 | T | 28.2 | Very low | 34.8 | Very low | 128 Ų | 128 | 115.5 Ų | 115.5 | 79% | 0.785 | 71% | 0.712 | S | S | * | * | trans | 69.4 | 163.5 | 170.6 | 84.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 315 | N | 29.9 | Very low | 35.1 | Very low | 141 Ų | 141 | 110.7 Ų | 110.7 | 75% | 0.754 | 71% | 0.709 | S | S | * | * | cis | -147.4 | -179.3 | 2.2 | -146.4 | -28.7 | 0 | 0 | 0 | 112.1 | ||||
| 316 | S | 33.8 | Very low | 35.2 | Very low | 108 Ų | 108 | 114.5 Ų | 114.5 | 76% | 0.755 | 72% | 0.715 | S | S | * | * | trans | -61.9 | 157.6 | 177.5 | -48.7 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 317 | A | 37.1 | Very low | 35 | Very low | 91 Ų | 91 | 110.1 Ų | 110.1 | 75% | 0.752 | 71% | 0.708 | S | S | * | * | trans | -57.3 | 166.5 | 163.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 318 | P | 45.6 | Very low | 35 | Very low | 73 Ų | 73 | 107.2 Ų | 107.2 | 47% | 0.474 | 71% | 0.711 | S | S | . | * | cis | -150.7 | 121.5 | 26.8 | 37.9 | -13.7 | 0 | 0 | 0 | 119.8 | N491 | P318-N491 WeakPolarHBondContact O-CB 3.2Å; P318-N491 PolarHBondContact O-ND2 3.41Å | ||
| 319 | G | 35.6 | Very low | 34.9 | Very low | 65 Ų | 65 | 105.6 Ų | 105.6 | 67% | 0.67 | 71% | 0.712 | S | S | * | * | trans | 66.2 | -160 | 132 | 0 | 0 | 0 | 0 | 0 | 122.7 | N491 | G319-N491 WeakPolarHBondContact O-CB 3.32Š| ||
| 320 | S | 41.4 | Very low | 34.5 | Very low | 69 Ų | 69 | 102.8 Ų | 102.8 | 48% | 0.483 | 71% | 0.71 | S | S | . | * | trans | 90 | -175.9 | 167.5 | 13.1 | 0 | 0 | 0 | 0 | 116.2 | Q490 N491 A494 | S320-Q490 CarbonylContact C-O 3.43Å; S320-Q490 WeakPolarHBondContact CA-O 3.41Å; S320-N491 VanDerWaalsContact CB-OD1 3.25Å; S320-N491 WeakPolarHBondContact CB-OD1 3.39Å; S320-N491 PolarHBondContact OG-OD1 2.75Å; S320-N491 VanDerWaalsContact OG-OD1 3.09Å; S320-A494 WeakPolarHBondContact OG-CB 3.45Å | ||
| 321 | G | 47.3 | Very low | 34.9 | Very low | 31 Ų | 31 | 100.9 Ų | 100.9 | 32% | 0.32 | 71% | 0.713 | S | S | . | * | trans | -141.1 | -169 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q490 | G321-Q490 PolarHBondContact N-O 2.87Å; G321-Q490 CarbonylContact O-C 3.49Å; G321-Q490 VanDerWaalsContact O-CA 3.32Å; G321-Q490 WeakPolarHBondContact O-CA 3.46Å; G321-Q490 WeakPolarHBondContact O-CB 3.46Å; G321-Q490 WeakPolarHBondContact O-CG 3.45Å | ||
| 322 | P | 45 | Very low | 35.4 | Very low | 99 Ų | 99 | 103.5 Ų | 103.5 | 64% | 0.643 | 72% | 0.718 | S | S | * | * | -147.4 | 164.5 | 82.6 | 39.6 | -23.8 | 0 | 0 | 0 | 116.4 | |||||
| 323 | S | 32.2 | Very low | 35.6 | Very low | 109 Ų | 109 | 101.9 Ų | 101.9 | 76% | 0.762 | 71% | 0.71 | S | S | * | * | trans | 60.4 | 90.2 | 153.9 | -56.8 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 324 | S | 39 | Very low | 35.7 | Very low | 119 Ų | 119 | 101.4 Ų | 101.4 | 83% | 0.832 | 72% | 0.715 | S | S | * | * | 33.1 | 155.1 | 113.4 | -44.7 | 0 | 0 | 0 | 0 | 122 | |||||
| 325 | P | 42.6 | Very low | 36 | Very low | 120 Ų | 120 | 103.2 Ų | 103.2 | 78% | 0.779 | 72% | 0.715 | S | S | * | * | cis | -129.2 | 148.4 | -6.2 | 37.7 | -21.6 | 0 | 0 | 0 | 115.2 | ||||
| 326 | I | 31.7 | Very low | 36.3 | Very low | 173 Ų | 173 | 103.6 Ų | 103.6 | 89% | 0.887 | 72% | 0.716 | S | S | * | * | trans | -143.7 | 141.4 | 162.5 | -57.8 | -179.5 | 0 | 0 | 0 | 107 | ||||
| 327 | G | 29.2 | Very low | 36.1 | Very low | 68 Ų | 68 | 101.7 Ų | 101.7 | 70% | 0.701 | 71% | 0.714 | S | S | * | * | cis | 146.5 | 65.7 | -2.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 328 | A | 30.9 | Very low | 36.4 | Very low | 94 Ų | 94 | 103.4 Ų | 103.4 | 78% | 0.777 | 72% | 0.717 | S | S | * | * | trans | -151.8 | 132.1 | 164.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 329 | S | 31.9 | Very low | 35.6 | Very low | 110 Ų | 110 | 105.2 Ų | 105.2 | 77% | 0.769 | 73% | 0.732 | S | S | * | * | cis | 88.3 | 133.1 | 19.5 | -47.3 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 330 | S | 32.3 | Very low | 35.2 | Very low | 116 Ų | 116 | 106.1 Ų | 106.1 | 81% | 0.811 | 73% | 0.728 | S | S | * | * | trans | 66 | 144.1 | -176.4 | -63.6 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 331 | A | 33.4 | Very low | 35 | Very low | 95 Ų | 95 | 109.3 Ų | 109.3 | 79% | 0.785 | 74% | 0.739 | S | S | * | * | S | Bend | cis | -122.4 | 146.4 | 13.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 332 | L | 38 | Very low | 34.7 | Very low | 165 Ų | 165 | 112 Ų | 112 | 86% | 0.864 | 75% | 0.751 | S | S | * | * | S | Bend | cis | -150.2 | 159.8 | -11.7 | -86.1 | 167 | 0 | 0 | 0 | 105.9 | ||
| 333 | G | 31.6 | Very low | 34.1 | Very low | 60 Ų | 60 | 112.3 Ų | 112.3 | 62% | 0.619 | 75% | 0.751 | S | S | * | * | cis | 172 | 172.4 | -2.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 334 | A | 32.4 | Very low | 34.1 | Very low | 96 Ų | 96 | 113.5 Ų | 113.5 | 79% | 0.793 | 75% | 0.754 | S | S | * | * | trans | 62.5 | 149.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 335 | E | 34.5 | Very low | 33.8 | Very low | 166 Ų | 166 | 113.6 Ų | 113.6 | 78% | 0.776 | 75% | 0.75 | S | S | * | * | cis | -158.5 | 153.1 | -25.4 | 54.5 | -168.8 | 106.2 | 0 | 0 | 111 | ||||
| 336 | N | 36.5 | Very low | 33.4 | Very low | 148 Ų | 148 | 116.8 Ų | 116.8 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | trans | 32 | 129.2 | 159.4 | -56.1 | -50.6 | 0 | 0 | 0 | 121.9 | ||||
| 337 | G | 29.2 | Very low | 33.3 | Very low | 69 Ų | 69 | 114.9 Ų | 114.9 | 71% | 0.711 | 75% | 0.748 | S | S | * | * | trans | -83.7 | -160.2 | 152.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 338 | P | 45.1 | Very low | 33.6 | Very low | 126 Ų | 126 | 117.4 Ų | 117.4 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | cis | -138 | 179.6 | 7.6 | 43.5 | -26.4 | 0 | 0 | 0 | 116 | ||||
| 339 | S | 28.9 | Very low | 33.6 | Very low | 111 Ų | 111 | 121.4 Ų | 121.4 | 78% | 0.776 | 74% | 0.736 | S | S | * | * | trans | 40 | 116.2 | 141.3 | 173.6 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 340 | S | 26.9 | Very low | 33.7 | Very low | 84 Ų | 84 | 126.3 Ų | 126.3 | 59% | 0.587 | 74% | 0.738 | S | S | * | * | -171.5 | 149.2 | 111.4 | 52.8 | 0 | 0 | 0 | 0 | 115.2 | Q86 | Q86-S340 PolarHBondContact NE2-O 2.86Š| |||
| 341 | L | 36.7 | Very low | 34.4 | Very low | 137 Ų | 137 | 125.9 Ų | 125.9 | 72% | 0.717 | 73% | 0.732 | S | S | * | * | trans | -84.1 | 159.3 | 161.2 | -88.3 | 157.9 | 0 | 0 | 0 | 110.2 | ||||
| 342 | P | 41.9 | Very low | 34.3 | Very low | 87 Ų | 87 | 126.6 Ų | 126.6 | 57% | 0.565 | 73% | 0.732 | S | S | * | * | -147.1 | -175.5 | 96.3 | 38.3 | -20.4 | 0 | 0 | 0 | 116.4 | |||||
| 343 | T | 30.8 | Very low | 34 | Very low | 105 Ų | 105 | 127.2 Ų | 127.2 | 64% | 0.644 | 73% | 0.73 | S | S | * | * | trans | -123.4 | 158.3 | -168.8 | 52.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 344 | T | 33 | Very low | 34.4 | Very low | 134 Ų | 134 | 129.2 Ų | 129.2 | 82% | 0.822 | 73% | 0.732 | S | S | * | * | trans | -171.6 | 149.5 | 142.1 | 21.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 345 | T | 33.5 | Very low | 34.3 | Very low | 122 Ų | 122 | 134.9 Ų | 134.9 | 75% | 0.748 | 73% | 0.733 | S | S | * | * | cis | 82.8 | 128 | 12.4 | -30.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 346 | K | 34.1 | Very low | 34.3 | Very low | 187 Ų | 187 | 133.7 Ų | 133.7 | 81% | 0.813 | 73% | 0.731 | S | S | * | * | cis | -151.6 | 168.5 | 46.6 | -62.2 | 166.2 | 169.3 | 179.7 | 0 | 114.3 | ||||
| 347 | T | 28.6 | Very low | 34.1 | Very low | 133 Ų | 133 | 136.1 Ų | 136.1 | 82% | 0.816 | 74% | 0.735 | S | S | * | * | trans | -165 | 144.5 | 147.2 | -119.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 348 | E | 34.7 | Very low | 34.2 | Very low | 120 Ų | 120 | 143.7 Ų | 143.7 | 56% | 0.561 | 74% | 0.742 | S | S | * | * | cis | -147.6 | -95.7 | -27.8 | -120.4 | -60.6 | 56 | 0 | 0 | 113.2 | ||||
| 349 | R | 32.5 | Very low | 34.3 | Very low | 179 Ų | 179 | 142.6 Ų | 142.6 | 68% | 0.675 | 74% | 0.735 | S | S | * | * | -143 | 125.4 | -129.5 | -176 | 173 | -73.3 | -124.7 | 1.4 | 121.8 | |||||
| 350 | W | 32.8 | Very low | 34.6 | Very low | 212 Ų | 212 | 146.1 Ų | 146.1 | 80% | 0.803 | 74% | 0.739 | S | S | * | * | trans | 70 | 162.2 | 145.9 | -70.9 | 150.9 | 0 | 0 | 0 | 122.6 | ||||
| 351 | P | 48.2 | Very low | 34.9 | Very low | 107 Ų | 107 | 145.5 Ų | 145.5 | 70% | 0.695 | 75% | 0.746 | S | S | * | * | cis | -139.7 | 167 | 20.6 | 42.9 | -24.3 | 0 | 0 | 0 | 122.4 | ||||
| 352 | S | 30.1 | Very low | 35 | Very low | 110 Ų | 110 | 143.9 Ų | 143.9 | 77% | 0.769 | 75% | 0.747 | S | S | * | * | trans | 70.2 | 138.8 | 149.6 | 50.7 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 353 | Q | 32.5 | Very low | 34.7 | Very low | 179 Ų | 179 | 146.5 Ų | 146.5 | 84% | 0.836 | 76% | 0.761 | S | S | * | * | trans | -106.4 | -178.7 | 168.6 | -60.4 | -173 | -12.3 | 0 | 0 | 111.5 | ||||
| 354 | P | 39.2 | Very low | 35.3 | Very low | 101 Ų | 101 | 146.5 Ų | 146.5 | 66% | 0.656 | 77% | 0.765 | S | S | * | * | -153 | 146.6 | 92.2 | 37.6 | -19.5 | 0 | 0 | 0 | 118.4 | |||||
| 355 | R | 31.5 | Very low | 35.5 | Very low | 216 Ų | 216 | 146.5 Ų | 146.5 | 82% | 0.815 | 76% | 0.757 | S | S | * | * | trans | 66.6 | 158.9 | 152.3 | -70.8 | 179.9 | -77.1 | 176.5 | -5.5 | 118.1 | ||||
| 356 | L | 33.9 | Very low | 36 | Very low | 140 Ų | 140 | 146.8 Ų | 146.8 | 73% | 0.733 | 75% | 0.753 | S | S | * | * | cis | -166.4 | 164.4 | -28.9 | -171.3 | 64.6 | 0 | 0 | 0 | 108.3 | ||||
| 357 | F | 32.3 | Very low | 36.2 | Very low | 199 Ų | 199 | 142.9 Ų | 142.9 | 87% | 0.873 | 75% | 0.749 | S | S | * | * | trans | 83.8 | 161 | 169.4 | -81.1 | -79.1 | 0 | 0 | 0 | 121.3 | ||||
| 358 | R | 30.7 | Very low | 37 | Very low | 228 Ų | 228 | 143.5 Ų | 143.5 | 86% | 0.86 | 75% | 0.747 | S | S | * | * | trans | -132.2 | 177.5 | -176.1 | -121.8 | -167.9 | -154.1 | 161.3 | 6.5 | 106.4 | ||||
| 359 | P | 46.5 | Very low | 37.1 | Very low | 104 Ų | 104 | 148.4 Ų | 148.4 | 68% | 0.675 | 76% | 0.762 | S | S | * | * | cis | -137.3 | -179.8 | 0.5 | 41.6 | -24 | 0 | 0 | 0 | 116.3 | ||||
| 360 | E | 36.2 | Very low | 37.4 | Very low | 184 Ų | 184 | 146 Ų | 146 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | trans | 64.9 | 148.2 | 156.8 | -86.7 | -59.9 | 158.3 | 0 | 0 | 121.4 | ||||
| 361 | G | 32.6 | Very low | 37.4 | Very low | 71 Ų | 71 | 140.7 Ų | 140.7 | 73% | 0.732 | 76% | 0.763 | S | S | * | * | trans | 150.2 | 73.2 | -177 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 362 | S | 38.8 | Very low | 37.5 | Very low | 104 Ų | 104 | 141.9 Ų | 141.9 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | trans | -38.6 | 173.3 | 178.9 | -160.4 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 363 | V | 36.8 | Very low | 38.2 | Very low | 142 Ų | 142 | 142.2 Ų | 142.2 | 86% | 0.861 | 77% | 0.773 | S | S | * | * | trans | 86.8 | 125.8 | 163.9 | -49.9 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 364 | S | 42.3 | Very low | 39.1 | Very low | 104 Ų | 104 | 141.5 Ų | 141.5 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | -77.3 | 154.7 | 176.3 | 172.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 365 | M | 38.8 | Very low | 39.7 | Very low | 135 Ų | 135 | 142.6 Ų | 142.6 | 67% | 0.665 | 78% | 0.781 | S | S | * | * | -176.4 | 147.8 | 118.8 | -102.9 | -61.8 | -141.2 | 0 | 0 | 117.1 | |||||
| 366 | L | 42.8 | Very low | 40 | Very low | 127 Ų | 127 | 139.2 Ų | 139.2 | 67% | 0.665 | 78% | 0.779 | S | S | * | * | trans | 71.6 | 139.4 | 154.8 | -68.3 | 166.7 | 0 | 0 | 0 | 120.4 | ||||
| 367 | S | 38.6 | Very low | 40.2 | Very low | 105 Ų | 105 | 139.9 Ų | 139.9 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | trans | -139.8 | 174.6 | -176 | -172.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 368 | L | 44.3 | Very low | 40.8 | Very low | 147 Ų | 147 | 135.6 Ų | 135.6 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | trans | 76.8 | 107.1 | 166.8 | -58.2 | 172.7 | 0 | 0 | 0 | 119.3 | ||||
| 369 | Y | 38.7 | Very low | 41.3 | Very low | 222 Ų | 222 | 132.9 Ų | 132.9 | 87% | 0.871 | 78% | 0.779 | S | S | * | * | 33.8 | 128.8 | 124.6 | -84.5 | -94.8 | 0 | 0 | 0 | 120.8 | |||||
| 370 | T | 37.3 | Very low | 41.2 | Very low | 130 Ų | 130 | 131.5 Ų | 131.5 | 80% | 0.798 | 78% | 0.783 | S | S | * | * | trans | -87.3 | 155 | 161.3 | -179.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 371 | S | 32.7 | Very low | 41.5 | Very low | 100 Ų | 100 | 131.5 Ų | 131.5 | 70% | 0.699 | 79% | 0.788 | S | S | * | * | trans | -143.2 | 146.8 | 169.3 | -74.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 372 | P | 51.4 | Low | 41.4 | Very low | 131 Ų | 131 | 133.4 Ų | 133.4 | 85% | 0.851 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 150.2 | -166.1 | 29.2 | -35.8 | 0 | 0 | 0 | 113.5 | ||
| 373 | S | 43.4 | Very low | 41.1 | Very low | 118 Ų | 118 | 135.3 Ų | 135.3 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -82 | 148 | -177.1 | -57.2 | 0 | 0 | 0 | 0 | 113.3 | ||
| 374 | L | 53.1 | Low | 41 | Very low | 163 Ų | 163 | 135.1 Ų | 135.1 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 150.6 | 167.8 | -65.6 | 169.6 | 0 | 0 | 0 | 111.1 | ||
| 375 | P | 50.5 | Low | 40.8 | Very low | 125 Ų | 125 | 135.2 Ų | 135.2 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 135.8 | 170.7 | 29.4 | -34 | 0 | 0 | 0 | 110.9 | ||
| 376 | N | 38.5 | Very low | 40.5 | Very low | 144 Ų | 144 | 134.7 Ų | 134.7 | 77% | 0.77 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -92.6 | 148.1 | -177.4 | -167.1 | 16.4 | 0 | 0 | 0 | 112.2 | ||
| 377 | I | 38.3 | Very low | 40.4 | Very low | 154 Ų | 154 | 134 Ų | 134 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | trans | -99.6 | 100.3 | -179.9 | 44.5 | 164.1 | 0 | 0 | 0 | 111.5 | L379 | I377-L379 PolarHBondContact O-N 3.43Š| ||
| 378 | S | 45.2 | Very low | 40.2 | Very low | 110 Ų | 110 | 136.4 Ų | 136.4 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | trans | -83.2 | 105.1 | 177.6 | -63 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 379 | L | 41.2 | Very low | 39.5 | Very low | 171 Ų | 171 | 131.8 Ų | 131.8 | 90% | 0.895 | 79% | 0.786 | S | S | * | * | trans | -70.5 | 134.9 | 159.2 | -65.7 | 171 | 0 | 0 | 0 | 108.8 | I377 | I377-L379 PolarHBondContact O-N 3.43Š| ||
| 380 | G | 43.6 | Very low | 39 | Very low | 74 Ų | 74 | 125.3 Ų | 125.3 | 76% | 0.763 | 78% | 0.778 | S | S | * | * | trans | -83.9 | 134.3 | -162.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 381 | L | 42 | Very low | 38.8 | Very low | 184 Ų | 184 | 122.9 Ų | 122.9 | 96% | 0.963 | 77% | 0.771 | S | S | * | * | trans | -139.7 | 151.2 | 149.1 | -73.4 | -179.3 | 0 | 0 | 0 | 108.3 | ||||
| 382 | S | 32 | Very low | 38.8 | Very low | 112 Ų | 112 | 126.9 Ų | 126.9 | 78% | 0.783 | 78% | 0.783 | S | S | * | * | trans | -128 | 119.4 | -172.5 | 58 | 0 | 0 | 0 | 0 | 113 | ||||
| 383 | T | 32.1 | Very low | 37.8 | Very low | 144 Ų | 144 | 124.4 Ų | 124.4 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | trans | -145.8 | 153 | 161.8 | 47.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 384 | T | 34.5 | Very low | 37.2 | Very low | 138 Ų | 138 | 126 Ų | 126 | 85% | 0.847 | 78% | 0.781 | S | S | * | * | trans | -93 | -161.6 | -162.8 | -21.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 385 | P | 38.8 | Very low | 36.1 | Very low | 106 Ų | 106 | 125.4 Ų | 125.4 | 69% | 0.688 | 78% | 0.778 | S | S | * | * | -99.8 | 165.2 | -124.4 | 43.5 | -36.6 | 0 | 0 | 0 | 117 | |||||
| 386 | T | 32.6 | Very low | 35 | Very low | 124 Ų | 124 | 125.6 Ų | 125.6 | 76% | 0.761 | 77% | 0.772 | S | S | * | * | trans | 24.5 | 143.4 | 146.1 | 57.3 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 387 | P | 39.7 | Very low | 34.6 | Very low | 111 Ų | 111 | 128.6 Ų | 128.6 | 72% | 0.721 | 77% | 0.773 | S | S | * | * | cis | -148.2 | 150.3 | 38.7 | 39.1 | -18.2 | 0 | 0 | 0 | 120.3 | ||||
| 388 | I | 34.4 | Very low | 34.1 | Very low | 157 Ų | 157 | 126 Ų | 126 | 81% | 0.805 | 77% | 0.768 | S | S | * | * | trans | 48.5 | 123.9 | 135.3 | -56.2 | 177.1 | 0 | 0 | 0 | 122.3 | ||||
| 389 | S | 29.5 | Very low | 33.2 | Very low | 50 Ų | 50 | 126.7 Ų | 126.7 | 35% | 0.35 | 77% | 0.768 | S | S | . | * | trans | 77.5 | 90.8 | 154.8 | -64.2 | 0 | 0 | 0 | 0 | 122.1 | R466 | S389-R466 PolarHBondContact OG-NH1 2.96Š| ||
| 390 | A | 29.3 | Very low | 32.6 | Very low | 86 Ų | 86 | 126 Ų | 126 | 71% | 0.711 | 76% | 0.76 | S | S | * | * | 31.4 | 129.5 | 121 | 0 | 0 | 0 | 0 | 0 | 123 | |||||
| 391 | A | 31.2 | Very low | 31.9 | Very low | 79 Ų | 79 | 128 Ų | 128 | 65% | 0.653 | 75% | 0.752 | S | S | * | * | 175.2 | 137.8 | 115.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 392 | L | 33.7 | Very low | 31.3 | Very low | 183 Ų | 183 | 127.3 Ų | 127.3 | 96% | 0.958 | 74% | 0.741 | S | S | * | * | trans | 43.2 | 133.8 | 151.1 | -55 | 175.3 | 0 | 0 | 0 | 122.7 | ||||
| 393 | G | 29.8 | Very low | 31.3 | Very low | 79 Ų | 79 | 130.1 Ų | 130.1 | 81% | 0.814 | 74% | 0.742 | S | S | * | * | trans | 170.6 | 145.8 | 166.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 394 | L | 31.4 | Very low | 31.2 | Very low | 153 Ų | 153 | 127 Ų | 127 | 80% | 0.801 | 74% | 0.738 | S | S | * | * | trans | -154.9 | 154.3 | -175.2 | -127.9 | 168.7 | 0 | 0 | 0 | 110.9 | ||||
| 395 | N | 29.2 | Very low | 31.3 | Very low | 150 Ų | 150 | 128.6 Ų | 128.6 | 80% | 0.802 | 74% | 0.741 | S | S | * | * | trans | 71.4 | 160.9 | 176.5 | -42.7 | -55.8 | 0 | 0 | 0 | 114.9 | ||||
| 396 | D | 27.6 | Very low | 31.5 | Very low | 128 Ų | 128 | 129.5 Ų | 129.5 | 68% | 0.684 | 75% | 0.746 | S | S | * | * | cis | -154 | -179.7 | -36.9 | -175.8 | 28.8 | 0 | 0 | 0 | 107.5 | ||||
| 397 | R | 30.2 | Very low | 31.4 | Very low | 208 Ų | 208 | 126.9 Ų | 126.9 | 79% | 0.785 | 74% | 0.744 | S | S | * | * | trans | -49.7 | 148 | -178 | -55.2 | 133.9 | 72.5 | -150 | 4 | 115 | ||||
| 398 | S | 27.3 | Very low | 31.1 | Very low | 100 Ų | 100 | 129.7 Ų | 129.7 | 70% | 0.699 | 75% | 0.747 | S | S | * | * | 152.7 | 147.5 | 106 | 56.8 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 399 | T | 27.3 | Very low | 31 | Very low | 124 Ų | 124 | 129.5 Ų | 129.5 | 76% | 0.761 | 75% | 0.747 | S | S | * | * | trans | 59 | 157.3 | 156.8 | 57.3 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 400 | E | 27.6 | Very low | 31.5 | Very low | 157 Ų | 157 | 135 Ų | 135 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | cis | -154.2 | 155.6 | -27.6 | -113.3 | -166 | 138.1 | 0 | 0 | 109.7 | ||||
| 401 | I | 28.9 | Very low | 31.6 | Very low | 115 Ų | 115 | 133.9 Ų | 133.9 | 59% | 0.59 | 77% | 0.768 | S | S | * | * | trans | 16.9 | 130.6 | 153 | -26.3 | 165.6 | 0 | 0 | 0 | 119.7 | ||||
| 402 | K | 31.1 | Very low | 31.8 | Very low | 170 Ų | 170 | 136.7 Ų | 136.7 | 74% | 0.739 | 78% | 0.78 | S | S | * | * | 164.8 | 107 | 112.5 | -83.8 | -178 | -177.9 | 173.2 | 0 | 116.8 | |||||
| 403 | H | 31.4 | Very low | 31.9 | Very low | 171 Ų | 171 | 134.1 Ų | 134.1 | 79% | 0.792 | 77% | 0.772 | S | S | * | * | trans | 50.1 | 125.6 | 141.5 | -42.6 | -58.5 | 0 | 0 | 0 | 122.4 | ||||
| 404 | G | 28.8 | Very low | 32.5 | Very low | 78 Ų | 78 | 135.9 Ų | 135.9 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | 172.2 | 93.4 | 164.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 405 | L | 37.6 | Very low | 32.6 | Very low | 172 Ų | 172 | 136 Ų | 136 | 90% | 0.901 | 77% | 0.769 | S | S | * | * | trans | -127 | 165.5 | 167 | -76.5 | 179.3 | 0 | 0 | 0 | 108.1 | ||||
| 406 | P | 43.1 | Very low | 32.9 | Very low | 124 Ų | 124 | 137.6 Ų | 137.6 | 81% | 0.805 | 77% | 0.772 | S | S | * | * | cis | -133 | 178.4 | 13.8 | 41.9 | -25.6 | 0 | 0 | 0 | 116 | ||||
| 407 | G | 31.2 | Very low | 33.3 | Very low | 70 Ų | 70 | 137 Ų | 137 | 72% | 0.722 | 77% | 0.773 | S | S | * | * | trans | 178.2 | 67.7 | 175 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 408 | H | 31.8 | Very low | 33.6 | Very low | 170 Ų | 170 | 131.6 Ų | 131.6 | 79% | 0.787 | 77% | 0.773 | S | S | * | * | trans | 27.5 | 124.8 | 148.8 | -74 | 98.1 | 0 | 0 | 0 | 124.1 | ||||
| 409 | L | 33.7 | Very low | 34.2 | Very low | 153 Ų | 153 | 134.5 Ų | 134.5 | 80% | 0.801 | 78% | 0.78 | S | S | * | * | trans | 68.7 | 151.1 | 148.6 | -51.5 | 170.6 | 0 | 0 | 0 | 116.4 | ||||
| 410 | L | 38.8 | Very low | 35.2 | Very low | 165 Ų | 165 | 138.2 Ų | 138.2 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | cis | -137.7 | 175.7 | 22.6 | -77.3 | 164.5 | 0 | 0 | 0 | 113 | ||||
| 411 | G | 32.9 | Very low | 35.9 | Very low | 62 Ų | 62 | 135 Ų | 135 | 64% | 0.639 | 78% | 0.783 | S | S | * | * | trans | -87.5 | -179.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 412 | P | 34.8 | Very low | 36.9 | Very low | 139 Ų | 139 | 139.8 Ų | 139.8 | 90% | 0.903 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 137.7 | -167.8 | 31 | -35.7 | 0 | 0 | 0 | 114.7 | ||
| 413 | V | 35.7 | Very low | 38.1 | Very low | 129 Ų | 129 | 135.1 Ų | 135.1 | 78% | 0.782 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -97 | 143.3 | 173.1 | 176.1 | 0 | 0 | 0 | 0 | 110 | ||
| 414 | P | 42.5 | Very low | 39.1 | Very low | 116 Ų | 116 | 130.3 Ų | 130.3 | 75% | 0.753 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 123.8 | 179.9 | -3.4 | 21 | 0 | 0 | 0 | 111.3 | ||
| 415 | L | 33.5 | Very low | 40.7 | Very low | 154 Ų | 154 | 131.3 Ų | 131.3 | 81% | 0.806 | 76% | 0.763 | S | S | * | * | trans | -90.1 | 110.5 | 173.8 | -142.3 | 77.9 | 0 | 0 | 0 | 110.7 | ||||
| 416 | Q | 35.4 | Very low | 41.9 | Very low | 184 Ų | 184 | 127.1 Ų | 127.1 | 86% | 0.86 | 75% | 0.749 | S | S | * | * | trans | -83.3 | 108.8 | 167.8 | -67.9 | -172.4 | 2.3 | 0 | 0 | 109.7 | A418 | Q416-A418 PolarHBondContact O-N 3.44Š| ||
| 417 | T | 35.9 | Very low | 42.9 | Very low | 115 Ų | 115 | 125.7 Ų | 125.7 | 71% | 0.706 | 73% | 0.731 | S | S | * | * | trans | -88.3 | 87 | 168.5 | 54.5 | 0 | 0 | 0 | 0 | 110 | L419 | T417-L419 PolarHBondContact O-N 3.43Š| ||
| 418 | A | 36.7 | Very low | 45 | Very low | 95 Ų | 95 | 128.9 Ų | 128.9 | 79% | 0.785 | 73% | 0.727 | S | S | * | * | trans | -71.8 | 93.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | Q416 | Q416-A418 PolarHBondContact O-N 3.44Š| ||
| 419 | L | 40.2 | Very low | 47.1 | Very low | 161 Ų | 161 | 123.4 Ų | 123.4 | 84% | 0.843 | 71% | 0.711 | S | S | * | * | trans | -90.9 | 102.9 | 163 | -66.7 | -176.7 | 0 | 0 | 0 | 108.2 | T417 S421 | T417-L419 PolarHBondContact O-N 3.43Å; L419-S421 PolarHBondContact O-N 2.94Å | ||
| 420 | E | 47.5 | Very low | 49.5 | Very low | 202 Ų | 202 | 120.8 Ų | 120.8 | 94% | 0.944 | 70% | 0.698 | S | S | * | * | trans | -71.2 | 100.2 | 177.8 | -169.5 | 176.2 | -178.8 | 0 | 0 | 110.3 | ||||
| 421 | S | 41.9 | Very low | 51.6 | Low | 89 Ų | 89 | 117.5 Ų | 117.5 | 62% | 0.622 | 68% | 0.68 | S | S | * | * | trans | -136.1 | 142 | 168.5 | 177.8 | 0 | 0 | 0 | 0 | 108 | L419 V423 | L419-S421 PolarHBondContact O-N 2.94Å; S421-V423 PolarHBondContact O-N 3.24Å | ||
| 422 | K | 51.5 | Low | 53.7 | Low | 216 Ų | 216 | 121 Ų | 121 | 94% | 0.939 | 68% | 0.68 | S | S | * | * | trans | -74.7 | 72.7 | -178.4 | -72.3 | -162.6 | 174.9 | -172.5 | 0 | 111.4 | ||||
| 423 | V | 54.8 | Low | 55.8 | Low | 72 Ų | 72 | 119.2 Ų | 119.2 | 44% | 0.436 | 66% | 0.659 | S | S | . | * | trans | -88.9 | 130.2 | 177.9 | 174.6 | 0 | 0 | 0 | 0 | 109.4 | S421 H427 | S421-V423 PolarHBondContact O-N 3.24Å; V423-H427 HydrophobicContact CG1-CB 3.68Å | ||
| 424 | S | 53.8 | Low | 58.3 | Low | 70 Ų | 70 | 117.8 Ų | 117.8 | 49% | 0.49 | 65% | 0.647 | S | S | . | * | trans | -61.5 | 141.3 | 179 | -177.8 | 0 | 0 | 0 | 0 | 111.6 | S426 H427 Q428 | S424-S426 PolarHBondContact O-N 2.97Å; S424-S426 PolarHBondContact OG-OG 3.37Å; S424-H427 WeakPolarHBondContact O-CB 3.4Å; S424-H427 PolarHBondContact O-N 3.46Å; S424-Q428 PolarHBondContact O-N 3.33Å | ||
| 425 | P | 62.4 | Low | 60.5 | Low | 99 Ų | 99 | 117.7 Ų | 117.7 | 64% | 0.643 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -53.1 | -29.4 | 179.6 | -29.1 | 35.8 | 0 | 0 | 0 | 114.6 | H427 Q428 A429 | P425-H427 VanDerWaalsContact C-N 3.34Å; P425-H427 PolarHBondContact O-N 3.5Å; P425-Q428 PolarHBondContact O-N 2.92Å; P425-A429 WeakPolarHBondContact O-CB 3.31Å; P425-A429 PolarHBondContact O-N 3.5Å |
| 426 | S | 63 | Low | 62.7 | Low | 85 Ų | 85 | 115.6 Ų | 115.6 | 59% | 0.594 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -64.2 | -35.1 | 175.4 | 57.5 | 0 | 0 | 0 | 0 | 113.3 | S424 L430 | S424-S426 PolarHBondContact O-N 2.97Å; S424-S426 PolarHBondContact OG-OG 3.37Å; S426-L430 WeakPolarHBondContact O-CB 3.46Å; S426-L430 PolarHBondContact O-N 3.39Å |
| 427 | H | 63.5 | Low | 64.4 | Low | 93 Ų | 93 | 113.2 Ų | 113.2 | 43% | 0.431 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -75.6 | -37.7 | 176.8 | -174.3 | 102.9 | 0 | 0 | 0 | 111.1 | V423 S424 P425 A429 L430 L431 | V423-H427 HydrophobicContact CG1-CB 3.68Å; S424-H427 WeakPolarHBondContact O-CB 3.4Å; S424-H427 PolarHBondContact O-N 3.46Å; P425-H427 VanDerWaalsContact C-N 3.34Å; P425-H427 PolarHBondContact O-N 3.5Å; H427-A429 VanDerWaalsContact C-N 3.34Å; H427-A429 PolarHBondContact O-N 3.05Å; H427-L430 WeakPolarHBondContact O-CB 3.38Å; H427-L430 PolarHBondContact O-N 3.01Å; H427-L431 WeakPolarHBondContact O-CG 3.31Å; H427-L431 PolarHBondContact O-N 3.19Å |
| 428 | Q | 75.2 | Confident | 66.3 | Low | 138 Ų | 138 | 111.2 Ų | 111.2 | 65% | 0.645 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -63.5 | -40.5 | 172.9 | -164.2 | 179.6 | 33.5 | 0 | 0 | 111.6 | S424 P425 L431 Q432 | S424-Q428 PolarHBondContact O-N 3.33Å; P425-Q428 PolarHBondContact O-N 2.92Å; Q428-L431 PolarHBondContact O-N 3.06Å; Q428-Q432 WeakPolarHBondContact O-CB 3.32Å; Q428-Q432 PolarHBondContact O-N 3.01Å |
| 429 | A | 75.8 | Confident | 67.8 | Low | 55 Ų | 55 | 112.3 Ų | 112.3 | 46% | 0.455 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -64.8 | -38.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | P425 H427 Q432 H433 | P425-A429 WeakPolarHBondContact O-CB 3.31Å; P425-A429 PolarHBondContact O-N 3.5Å; H427-A429 VanDerWaalsContact C-N 3.34Å; H427-A429 PolarHBondContact O-N 3.05Å; A429-Q432 PolarHBondContact O-N 3.32Å; A429-H433 WeakPolarHBondContact O-CB 3.44Å; A429-H433 PolarHBondContact O-N 3.4Å |
| 430 | L | 83.8 | Confident | 69 | Low | 98 Ų | 98 | 109.8 Ų | 109.8 | 51% | 0.513 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -62.7 | -46.2 | 174.3 | -168.4 | 85.5 | 0 | 0 | 0 | 111.5 | S426 H427 H433 L434 | S426-L430 WeakPolarHBondContact O-CB 3.46Å; S426-L430 PolarHBondContact O-N 3.39Å; H427-L430 WeakPolarHBondContact O-CB 3.38Å; H427-L430 PolarHBondContact O-N 3.01Å; L430-H433 PolarHBondContact O-N 2.91Å; L430-L434 HydrophobicContact CG-CD1 4.27Å; L430-L434 WeakPolarHBondContact O-CD1 3.43Å; L430-L434 PolarHBondContact O-N 3.18Å |
| 431 | L | 83.2 | Confident | 70 | Confident | 95 Ų | 95 | 106 Ų | 106 | 50% | 0.497 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.5 | -42.9 | 176.3 | -70.7 | 175.1 | 0 | 0 | 0 | 111.8 | H427 Q428 L434 L435 | H427-L431 WeakPolarHBondContact O-CG 3.31Å; H427-L431 PolarHBondContact O-N 3.19Å; Q428-L431 PolarHBondContact O-N 3.06Å; L431-L434 PolarHBondContact O-N 3.39Å; L431-L435 WeakPolarHBondContact O-CB 3.4Å; L431-L435 PolarHBondContact O-N 2.88Å |
| 432 | Q | 77.6 | Confident | 70.6 | Confident | 135 Ų | 135 | 105.1 Ų | 105.1 | 63% | 0.631 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -60.7 | -44.6 | 174.3 | -173.5 | -179.9 | 101.4 | 0 | 0 | 111.3 | Q428 A429 L435 Q436 | Q428-Q432 WeakPolarHBondContact O-CB 3.32Å; Q428-Q432 PolarHBondContact O-N 3.01Å; A429-Q432 PolarHBondContact O-N 3.32Å; Q432-L435 PolarHBondContact O-N 3.34Å; Q432-Q436 VanDerWaalsContact O-CB 3.3Å; Q432-Q436 WeakPolarHBondContact O-CB 3.46Å; Q432-Q436 PolarHBondContact O-N 3.03Å |
| 433 | H | 78.1 | Confident | 70.8 | Confident | 102 Ų | 102 | 101.3 Ų | 101.3 | 47% | 0.472 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.3 | -41.9 | 177 | -175.7 | 77 | 0 | 0 | 0 | 112.2 | A429 L430 Q436 K437 | A429-H433 WeakPolarHBondContact O-CB 3.44Å; A429-H433 PolarHBondContact O-N 3.4Å; L430-H433 PolarHBondContact O-N 2.91Å; H433-Q436 PolarHBondContact O-N 3.32Å; H433-K437 WeakPolarHBondContact O-CB 3.29Å; H433-K437 PolarHBondContact O-N 3.44Å |
| 434 | L | 87.9 | Confident | 70.5 | Confident | 99 Ų | 99 | 106.1 Ų | 106.1 | 52% | 0.518 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61 | -47.6 | 174.7 | -103 | 69.5 | 0 | 0 | 0 | 111.4 | L430 L431 Q436 K437 E438 | L430-L434 HydrophobicContact CG-CD1 4.27Å; L430-L434 WeakPolarHBondContact O-CD1 3.43Å; L430-L434 PolarHBondContact O-N 3.18Å; L431-L434 PolarHBondContact O-N 3.39Å; L434-Q436 VanDerWaalsContact C-N 3.34Å; L434-Q436 PolarHBondContact O-N 3.37Å; L434-K437 PolarHBondContact O-N 3.42Å; L434-E438 VanDerWaalsContact O-CB 3.29Å; L434-E438 WeakPolarHBondContact O-CB 3.3Å; L434-E438 PolarHBondContact O-N 3.45Å |
| 435 | L | 87.9 | Confident | 70.5 | Confident | 115 Ų | 115 | 106.9 Ų | 106.9 | 60% | 0.602 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61.2 | -41.9 | 178.5 | -177.7 | 63.1 | 0 | 0 | 0 | 111.9 | L431 Q432 E438 Q439 | L431-L435 WeakPolarHBondContact O-CB 3.4Å; L431-L435 PolarHBondContact O-N 2.88Å; Q432-L435 PolarHBondContact O-N 3.34Å; L435-E438 PolarHBondContact O-N 2.9Å; L435-Q439 PolarHBondContact O-N 2.94Å |
| 436 | Q | 80.3 | Confident | 69.9 | Low | 109 Ų | 109 | 110.2 Ų | 110.2 | 51% | 0.509 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -69.2 | -38.5 | 178.2 | -162.9 | 173.2 | 43.8 | 0 | 0 | 111.8 | Q432 H433 L434 Q439 I440 | Q432-Q436 VanDerWaalsContact O-CB 3.3Å; Q432-Q436 WeakPolarHBondContact O-CB 3.46Å; Q432-Q436 PolarHBondContact O-N 3.03Å; H433-Q436 PolarHBondContact O-N 3.32Å; L434-Q436 VanDerWaalsContact C-N 3.34Å; L434-Q436 PolarHBondContact O-N 3.37Å; Q436-Q439 PolarHBondContact O-N 3.01Å; Q436-I440 WeakPolarHBondContact O-CD1 3.26Å; Q436-I440 VanDerWaalsContact O-CG1 3.3Å; Q436-I440 WeakPolarHBondContact O-CG1 3.47Å; Q436-I440 PolarHBondContact O-N 3.2Å |
| 437 | K | 71.3 | Confident | 69.1 | Low | 135 Ų | 135 | 111.1 Ų | 111.1 | 59% | 0.587 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -69.5 | -34.6 | 175.5 | -162.2 | 176.8 | -171 | 178.5 | 0 | 112.1 | H433 L434 I440 R441 | H433-K437 WeakPolarHBondContact O-CB 3.29Å; H433-K437 PolarHBondContact O-N 3.44Å; L434-K437 PolarHBondContact O-N 3.42Å; K437-I440 PolarHBondContact O-N 3.3Å; K437-R441 PolarHBondContact O-N 2.9Å |
| 438 | E | 76.6 | Confident | 68 | Low | 72 Ų | 72 | 111.5 Ų | 111.5 | 34% | 0.336 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -67.9 | -43.4 | 171.3 | 176.2 | 56.5 | -160.7 | 0 | 0 | 111.3 | L434 L435 I440 R441 Q442 | L434-E438 VanDerWaalsContact O-CB 3.29Å; L434-E438 WeakPolarHBondContact O-CB 3.3Å; L434-E438 PolarHBondContact O-N 3.45Å; L435-E438 PolarHBondContact O-N 2.9Å; E438-I440 VanDerWaalsContact C-N 3.32Å; E438-I440 PolarHBondContact O-N 2.99Å; E438-R441 WeakPolarHBondContact O-CB 3.41Å; E438-R441 PolarHBondContact O-N 3.4Å; E438-R441 VanDerWaalsContact O-N 3.1Å; E438-R441 IonicContact OE1-CZ 2.77Å; E438-R441 IonicContact OE1-NE 3.66Å; E438-R441 IonicContact OE1-NH2 2.65Å; E438-R441 PolarHBondContact OE1-NH2 2.99Å; E438-R441 IonicContact OE2-CZ 2.74Å; E438-R441 IonicContact OE2-NE 2.91Å; E438-R441 PolarHBondContact OE2-NE 3.06Å; E438-R441 IonicContact OE2-NH2 3.17Å; E438-R441 PolarHBondContact OE2-NH2 3.38Å; E438-Q442 VanDerWaalsContact O-CG 3.26Å; E438-Q442 WeakPolarHBondContact O-CG 3.42Å; E438-Q442 PolarHBondContact O-N 2.84Å; E438-Q442 WeakPolarHBondContact OE1-CG 3.39Å; E438-Q442 PolarHBondContact OE1-NE2 3.09Å |
| 439 | Q | 67.9 | Low | 66.2 | Low | 119 Ų | 119 | 108.9 Ų | 108.9 | 56% | 0.556 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -58.1 | -42.3 | 171.4 | -80.1 | -169.5 | -26 | 0 | 0 | 112.5 | L435 Q436 R441 Q442 Q443 | L435-Q439 PolarHBondContact O-N 2.94Å; Q436-Q439 PolarHBondContact O-N 3.01Å; Q439-R441 VanDerWaalsContact C-N 3.33Å; Q439-R441 PolarHBondContact O-N 3.34Å; Q439-Q442 PolarHBondContact O-N 2.92Å; Q439-Q443 PolarHBondContact O-N 2.93Å |
| 440 | I | 66.1 | Low | 64.5 | Low | 108 Ų | 108 | 116.2 Ų | 116.2 | 55% | 0.554 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -63.7 | -39.1 | 174.9 | -68 | 162.4 | 0 | 0 | 0 | 111.1 | Q436 K437 E438 K444 | Q436-I440 WeakPolarHBondContact O-CD1 3.26Å; Q436-I440 VanDerWaalsContact O-CG1 3.3Å; Q436-I440 WeakPolarHBondContact O-CG1 3.47Å; Q436-I440 PolarHBondContact O-N 3.2Å; K437-I440 PolarHBondContact O-N 3.3Å; E438-I440 VanDerWaalsContact C-N 3.32Å; E438-I440 PolarHBondContact O-N 2.99Å; I440-K444 WeakPolarHBondContact O-CB 3.29Å; I440-K444 PolarHBondContact O-N 3.35Å; I440-K444 VanDerWaalsContact O-N 3.09Å |
| 441 | R | 68.3 | Low | 62.2 | Low | 123 Ų | 123 | 115.1 Ų | 115.1 | 46% | 0.464 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -61 | -44.1 | 174.2 | -167.5 | -171.6 | 69.8 | 77 | 1.7 | 111.5 | K437 E438 Q439 K444 I445 | K437-R441 PolarHBondContact O-N 2.9Å; E438-R441 WeakPolarHBondContact O-CB 3.41Å; E438-R441 PolarHBondContact O-N 3.4Å; E438-R441 VanDerWaalsContact O-N 3.1Å; E438-R441 IonicContact OE1-CZ 2.77Å; E438-R441 IonicContact OE1-NE 3.66Å; E438-R441 IonicContact OE1-NH2 2.65Å; E438-R441 PolarHBondContact OE1-NH2 2.99Å; E438-R441 IonicContact OE2-CZ 2.74Å; E438-R441 IonicContact OE2-NE 2.91Å; E438-R441 PolarHBondContact OE2-NE 3.06Å; E438-R441 IonicContact OE2-NH2 3.17Å; E438-R441 PolarHBondContact OE2-NH2 3.38Å; Q439-R441 VanDerWaalsContact C-N 3.33Å; Q439-R441 PolarHBondContact O-N 3.34Å; R441-K444 PolarHBondContact O-N 3.31Å; R441-I445 VanDerWaalsContact NH1-CD1 3.35Å; R441-I445 WeakPolarHBondContact O-CG1 3.44Å; R441-I445 PolarHBondContact O-N 3.06Å |
| 442 | Q | 53.1 | Low | 59.8 | Low | 70 Ų | 70 | 115.8 Ų | 115.8 | 33% | 0.327 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -70.5 | -43.5 | 180 | -62.5 | -76.7 | 14.8 | 0 | 0 | 111.9 | E438 Q439 K444 I445 F446 | E438-Q442 VanDerWaalsContact O-CG 3.26Å; E438-Q442 WeakPolarHBondContact O-CG 3.42Å; E438-Q442 PolarHBondContact O-N 2.84Å; E438-Q442 WeakPolarHBondContact OE1-CG 3.39Å; E438-Q442 PolarHBondContact OE1-NE2 3.09Å; Q439-Q442 PolarHBondContact O-N 2.92Å; Q442-K444 PolarHBondContact O-N 2.95Å; Q442-I445 WeakPolarHBondContact O-CA 3.5Å; Q442-I445 WeakPolarHBondContact O-CB 3.37Å; Q442-I445 PolarHBondContact O-N 3.03Å; Q442-F446 HydrophobicContact CB-CE2 4.39Å; Q442-F446 WeakPolarHBondContact O-CD2 3.39Å; Q442-F446 PolarHBondContact O-N 3.42Å; Q442-F446 VanDerWaalsContact O-N 3.17Å |
| 443 | Q | 55.6 | Low | 57.9 | Low | 136 Ų | 136 | 117.5 Ų | 117.5 | 64% | 0.636 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -61 | -33.1 | 174.6 | -75.2 | -171.4 | -6.1 | 0 | 0 | 112.6 | Q439 I445 F446 S447 | Q439-Q443 PolarHBondContact O-N 2.93Å; Q443-I445 PolarHBondContact O-N 2.77Å; Q443-F446 PolarHBondContact O-N 3.49Å; Q443-S447 PolarHBondContact O-OG 3.41Å |
| 444 | K | 49.7 | Very low | 55.7 | Low | 173 Ų | 173 | 117.4 Ų | 117.4 | 75% | 0.752 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -67.5 | -22.4 | 173.9 | -166.3 | 177 | -179.2 | -175.2 | 0 | 113.1 | I440 R441 Q442 | I440-K444 WeakPolarHBondContact O-CB 3.29Å; I440-K444 PolarHBondContact O-N 3.35Å; I440-K444 VanDerWaalsContact O-N 3.09Å; R441-K444 PolarHBondContact O-N 3.31Å; Q442-K444 PolarHBondContact O-N 2.95Å |
| 445 | I | 53.6 | Low | 53 | Low | 85 Ų | 85 | 117.7 Ų | 117.7 | 44% | 0.436 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -83 | -38.7 | 176.4 | -68.4 | 164.3 | 0 | 0 | 0 | 111.1 | R441 Q442 Q443 S447 | R441-I445 VanDerWaalsContact NH1-CD1 3.35Å; R441-I445 WeakPolarHBondContact O-CG1 3.44Å; R441-I445 PolarHBondContact O-N 3.06Å; Q442-I445 WeakPolarHBondContact O-CA 3.5Å; Q442-I445 WeakPolarHBondContact O-CB 3.37Å; Q442-I445 PolarHBondContact O-N 3.03Å; Q443-I445 PolarHBondContact O-N 2.77Å; I445-S447 PolarHBondContact O-N 2.93Å |
| 446 | F | 50.3 | Low | 50.3 | Low | 169 Ų | 169 | 120.5 Ų | 120.5 | 74% | 0.741 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | 6.2 | 179.5 | -64.6 | -64.9 | 0 | 0 | 0 | 115.2 | Q442 Q443 | Q442-F446 HydrophobicContact CB-CE2 4.39Å; Q442-F446 WeakPolarHBondContact O-CD2 3.39Å; Q442-F446 PolarHBondContact O-N 3.42Å; Q442-F446 VanDerWaalsContact O-N 3.17Å; Q443-F446 PolarHBondContact O-N 3.49Å |
| 447 | S | 45.8 | Very low | 48.1 | Very low | 104 Ų | 104 | 119 Ų | 119 | 73% | 0.727 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.8 | 10.7 | -178.4 | -60 | 0 | 0 | 0 | 0 | 114.4 | Q443 I445 | Q443-S447 PolarHBondContact O-OG 3.41Å; I445-S447 PolarHBondContact O-N 2.93Å |
| 448 | S | 40.8 | Very low | 46.2 | Very low | 102 Ų | 102 | 120.8 Ų | 120.8 | 71% | 0.713 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -145.1 | 110.1 | 176.4 | 59.6 | 0 | 0 | 0 | 0 | 112.6 | ||
| 449 | G | 36.6 | Very low | 44.1 | Very low | 82 Ų | 82 | 122.2 Ų | 122.2 | 85% | 0.845 | 69% | 0.691 | S | S | * | * | trans | 117.5 | 115 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 450 | Q | 40.7 | Very low | 43 | Very low | 210 Ų | 210 | 122.5 Ų | 122.5 | 98% | 0.981 | 70% | 0.703 | S | S | * | * | trans | -86.2 | 145.5 | 174.6 | -62.7 | 160.4 | -92.6 | 0 | 0 | 110.5 | ||||
| 451 | G | 35.4 | Very low | 41.9 | Very low | 74 Ų | 74 | 125.3 Ų | 125.3 | 76% | 0.763 | 72% | 0.718 | S | S | * | * | trans | 153.6 | 96.8 | 160.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 452 | S | 32.9 | Very low | 40.5 | Very low | 109 Ų | 109 | 126.2 Ų | 126.2 | 76% | 0.762 | 74% | 0.737 | S | S | * | * | trans | 54.8 | 117.2 | 146.2 | -167.8 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 453 | M | 36.4 | Very low | 39.7 | Very low | 172 Ų | 172 | 130.4 Ų | 130.4 | 85% | 0.847 | 76% | 0.759 | S | S | * | * | 24.2 | 148 | 120.1 | -44.6 | -47.3 | -178.3 | 0 | 0 | 120.7 | |||||
| 454 | S | 32.5 | Very low | 38.7 | Very low | 100 Ų | 100 | 131.2 Ų | 131.2 | 70% | 0.699 | 76% | 0.76 | S | S | * | * | cis | -176.3 | 156.7 | -11.4 | 175.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 455 | S | 31 | Very low | 37.9 | Very low | 104 Ų | 104 | 128.1 Ų | 128.1 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | trans | 41 | 123.3 | 147 | 61.8 | 0 | 0 | 0 | 0 | 123 | ||||
| 456 | H | 31.1 | Very low | 37.3 | Very low | 174 Ų | 174 | 133 Ų | 133 | 81% | 0.806 | 77% | 0.765 | S | S | * | * | 151.7 | 165.7 | 105.1 | -160 | 64.8 | 0 | 0 | 0 | 111.9 | |||||
| 457 | A | 34.1 | Very low | 36.8 | Very low | 79 Ų | 79 | 130.3 Ų | 130.3 | 65% | 0.653 | 76% | 0.764 | S | S | * | * | trans | -114.3 | -176 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 458 | Q | 31.6 | Very low | 36.5 | Very low | 172 Ų | 172 | 130.4 Ų | 130.4 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | trans | 172.2 | 155.5 | 135.9 | -88.1 | -76.2 | -12.7 | 0 | 0 | 109.7 | ||||
| 459 | S | 32.5 | Very low | 36.1 | Very low | 102 Ų | 102 | 130.4 Ų | 130.4 | 71% | 0.713 | 77% | 0.765 | S | S | * | * | trans | -165.8 | 135.4 | 178.1 | 176.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 460 | P | 44.3 | Very low | 36.3 | Very low | 125 Ų | 125 | 131.1 Ų | 131.1 | 81% | 0.812 | 76% | 0.757 | S | S | * | * | trans | -135.4 | 171.6 | 158 | 33 | -15.3 | 0 | 0 | 0 | 115.1 | ||||
| 461 | L | 43.3 | Very low | 36.7 | Very low | 166 Ų | 166 | 133.1 Ų | 133.1 | 87% | 0.869 | 76% | 0.755 | S | S | * | * | trans | -111.5 | 152.5 | -170.6 | -62 | 159.6 | 0 | 0 | 0 | 112.6 | ||||
| 462 | V | 38.8 | Very low | 38 | Very low | 142 Ų | 142 | 134.9 Ų | 134.9 | 86% | 0.861 | 75% | 0.753 | S | S | * | * | trans | -139.8 | 97.8 | 162.1 | -175.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 463 | M | 36.3 | Very low | 38.4 | Very low | 159 Ų | 159 | 137.3 Ų | 137.3 | 78% | 0.783 | 75% | 0.75 | S | S | * | * | 38.3 | 115.8 | 126.6 | -57.5 | -66.5 | -90.3 | 0 | 0 | 121.8 | |||||
| 464 | K | 34.8 | Very low | 38.6 | Very low | 153 Ų | 153 | 136.4 Ų | 136.4 | 67% | 0.665 | 75% | 0.748 | S | S | * | * | 103.8 | 136.9 | 105.9 | -177.8 | 171.1 | 170.7 | 173.3 | 0 | 122.4 | |||||
| 465 | D | 33.7 | Very low | 39.6 | Very low | 108 Ų | 108 | 136.6 Ų | 136.6 | 58% | 0.578 | 75% | 0.747 | S | S | * | * | trans | 88.4 | 151 | 158 | -73.1 | -12 | 0 | 0 | 0 | 123.4 | ||||
| 466 | R | 39.3 | Very low | 40.7 | Very low | 187 Ų | 187 | 140.9 Ų | 140.9 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | trans | -127.2 | 145.3 | -159.3 | 175.5 | 77.2 | -179.6 | -136.3 | -0.9 | 107 | S389 | S389-R466 PolarHBondContact OG-NH1 2.96Š| ||
| 467 | P | 41.1 | Very low | 41.5 | Very low | 113 Ų | 113 | 141.7 Ų | 141.7 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | -149.7 | 167.2 | 50.8 | 42.5 | -22.6 | 0 | 0 | 0 | 119.6 | |||||
| 468 | S | 38.9 | Very low | 42.3 | Very low | 105 Ų | 105 | 148.9 Ų | 148.9 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | trans | 66.6 | 120 | 148.5 | -145.8 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 469 | S | 33.6 | Very low | 43.5 | Very low | 102 Ų | 102 | 146.4 Ų | 146.4 | 71% | 0.713 | 77% | 0.765 | S | S | * | * | trans | 70.3 | 125.8 | 144.3 | -150.7 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 470 | S | 39 | Very low | 44.3 | Very low | 98 Ų | 98 | 150 Ų | 150 | 69% | 0.685 | 78% | 0.775 | S | S | * | * | trans | 62.5 | 83.3 | 137.7 | 59.8 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 471 | R | 49.6 | Very low | 44.5 | Very low | 251 Ų | 251 | 151.4 Ų | 151.4 | 95% | 0.947 | 78% | 0.776 | S | S | * | * | 60.6 | 157.1 | 126.3 | -70.3 | -167.9 | -178.7 | -150.3 | 0.9 | 123.1 | |||||
| 472 | P | 62.2 | Low | 44.9 | Very low | 111 Ų | 111 | 154.6 Ų | 154.6 | 72% | 0.721 | 78% | 0.777 | S | S | * | * | trans | -128.6 | -178.3 | -167.7 | 44.8 | -29.8 | 0 | 0 | 0 | 115.8 | ||||
| 473 | K | 42.5 | Very low | 45.4 | Very low | 161 Ų | 161 | 154.2 Ų | 154.2 | 70% | 0.7 | 78% | 0.775 | S | S | * | * | trans | 175 | 150.8 | 133.4 | -100.5 | 164.4 | -176.5 | -179.7 | 0 | 114.3 | ||||
| 474 | L | 41.2 | Very low | 46.3 | Very low | 152 Ų | 152 | 155.7 Ų | 155.7 | 80% | 0.796 | 78% | 0.78 | S | S | * | * | trans | 171 | -179 | 132.7 | -85.5 | 177.1 | 0 | 0 | 0 | 107.8 | ||||
| 475 | P | 53.1 | Low | 46.8 | Very low | 105 Ų | 105 | 153.9 Ų | 153.9 | 68% | 0.682 | 79% | 0.786 | S | S | * | * | -128.1 | 162.7 | -73 | 37.6 | -21.8 | 0 | 0 | 0 | 116.8 | |||||
| 476 | K | 54.5 | Low | 47.4 | Very low | 194 Ų | 194 | 152.8 Ų | 152.8 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | trans | 21.6 | 138.2 | 150.8 | -64.2 | 174.5 | 175 | 175.5 | 0 | 121.2 | ||||
| 477 | H | 47 | Very low | 47.7 | Very low | 190 Ų | 190 | 150.2 Ų | 150.2 | 88% | 0.88 | 80% | 0.8 | S | S | * | * | -165.3 | 142.9 | 126.4 | -105.1 | -66.9 | 0 | 0 | 0 | 116.1 | |||||
| 478 | R | 50 | Low | 48.3 | Very low | 231 Ų | 231 | 151.1 Ų | 151.1 | 87% | 0.872 | 80% | 0.798 | S | S | * | * | trans | 51.5 | 134.9 | 150.6 | -145.1 | 171.7 | -165 | 161.2 | 4.3 | 122.4 | ||||
| 479 | P | 57.4 | Low | 48.9 | Very low | 119 Ų | 119 | 151.4 Ų | 151.4 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | trans | -88.7 | 163 | 170.3 | 36.8 | -35.8 | 0 | 0 | 0 | 113.8 | ||||
| 480 | L | 49.9 | Very low | 49.9 | Very low | 178 Ų | 178 | 150.8 Ų | 150.8 | 93% | 0.932 | 78% | 0.783 | S | S | * | * | trans | -133.2 | 151.7 | 176.5 | -94.5 | 157.6 | 0 | 0 | 0 | 111 | ||||
| 481 | N | 48.8 | Very low | 50.7 | Low | 155 Ų | 155 | 147 Ų | 147 | 83% | 0.829 | 76% | 0.755 | S | S | * | * | trans | -97.6 | 134.9 | -172.5 | -86 | -62.5 | 0 | 0 | 0 | 114 | ||||
| 482 | R | 50.9 | Low | 51.3 | Low | 233 Ų | 233 | 139.6 Ų | 139.6 | 88% | 0.879 | 74% | 0.738 | S | S | * | * | trans | 36.9 | 95.1 | 139.2 | -167.1 | 175.8 | -174.2 | 155.7 | 0.1 | 118.2 | ||||
| 483 | T | 49.7 | Very low | 51.7 | Low | 134 Ų | 134 | 140.6 Ų | 140.6 | 82% | 0.822 | 74% | 0.736 | S | S | * | * | trans | -91.4 | 164.8 | 157.4 | 48.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 484 | Q | 54.3 | Low | 53 | Low | 190 Ų | 190 | 134.3 Ų | 134.3 | 89% | 0.888 | 71% | 0.714 | S | S | * | * | trans | -111.3 | 117.9 | -179.2 | -66.6 | -157.4 | 38.3 | 0 | 0 | 113.2 | ||||
| 485 | S | 46.3 | Very low | 54.5 | Low | 114 Ų | 114 | 132.3 Ų | 132.3 | 80% | 0.797 | 70% | 0.701 | S | S | * | * | trans | 177.6 | 139.9 | 163.6 | 53.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 486 | A | 45.9 | Very low | 55.8 | Low | 85 Ų | 85 | 132.1 Ų | 132.1 | 70% | 0.702 | 69% | 0.694 | S | S | * | * | cis | -152.9 | 164.6 | -9.7 | 0 | 0 | 0 | 0 | 0 | 106.6 | L488 | A486-L488 PolarHBondContact O-N 3.03Å; A486-L488 VanDerWaalsContact O-N 3.14Å | ||
| 487 | P | 46 | Very low | 57.4 | Low | 133 Ų | 133 | 126.6 Ų | 126.6 | 86% | 0.864 | 68% | 0.676 | S | S | * | * | trans | -61.4 | 120.1 | 179.9 | 24 | -33.7 | 0 | 0 | 0 | 111.7 | ||||
| 488 | L | 52.9 | Low | 59.3 | Low | 133 Ų | 133 | 122.6 Ų | 122.6 | 70% | 0.696 | 66% | 0.66 | S | S | * | * | trans | -68.5 | 139.2 | -178.9 | -163.2 | 73 | 0 | 0 | 0 | 110.1 | A486 Q490 | A486-L488 PolarHBondContact O-N 3.03Å; A486-L488 VanDerWaalsContact O-N 3.14Å; L488-Q490 VanDerWaalsContact C-N 3.28Å; L488-Q490 HydrophobicContact CB-CG 4.37Å; L488-Q490 PolarHBondContact O-N 2.82Å | ||
| 489 | P | 51.8 | Low | 60.8 | Low | 110 Ų | 110 | 117.9 Ų | 117.9 | 71% | 0.714 | 65% | 0.648 | S | S | * | * | trans | -74.1 | 77.7 | -178.3 | 30.3 | -36.3 | 0 | 0 | 0 | 111.9 | N491 | P489-N491 VanDerWaalsContact C-N 3.31Å; P489-N491 PolarHBondContact O-N 3.27Å | ||
| 490 | Q | 56 | Low | 62.2 | Low | 90 Ų | 90 | 118.9 Ų | 118.9 | 42% | 0.421 | 64% | 0.642 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.3 | -8.4 | -174 | -78 | -167 | -46.8 | 0 | 0 | 114.5 | S320 G321 L488 | S320-Q490 CarbonylContact C-O 3.43Å; S320-Q490 WeakPolarHBondContact CA-O 3.41Å; G321-Q490 PolarHBondContact N-O 2.87Å; G321-Q490 CarbonylContact O-C 3.49Å; G321-Q490 VanDerWaalsContact O-CA 3.32Å; G321-Q490 WeakPolarHBondContact O-CA 3.46Å; G321-Q490 WeakPolarHBondContact O-CB 3.46Å; G321-Q490 WeakPolarHBondContact O-CG 3.45Å; L488-Q490 VanDerWaalsContact C-N 3.28Å; L488-Q490 HydrophobicContact CB-CG 4.37Å; L488-Q490 PolarHBondContact O-N 2.82Å |
| 491 | N | 55.4 | Low | 63.8 | Low | 17 Ų | 17 | 117.2 Ų | 117.2 | 9% | 0.091 | 63% | 0.629 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -103.9 | 17.8 | -174.7 | -145.2 | -3.9 | 0 | 0 | 0 | 118.4 | P318 G319 S320 P489 L493 A494 Q495 | P318-N491 WeakPolarHBondContact O-CB 3.2Å; P318-N491 PolarHBondContact O-ND2 3.41Å; G319-N491 WeakPolarHBondContact O-CB 3.32Å; S320-N491 VanDerWaalsContact CB-OD1 3.25Å; S320-N491 WeakPolarHBondContact CB-OD1 3.39Å; S320-N491 PolarHBondContact OG-OD1 2.75Å; S320-N491 VanDerWaalsContact OG-OD1 3.09Å; P489-N491 VanDerWaalsContact C-N 3.31Å; P489-N491 PolarHBondContact O-N 3.27Å; N491-L493 PolarHBondContact O-N 3.02Å; N491-A494 WeakPolarHBondContact OD1-CA 3.45Å; N491-A494 WeakPolarHBondContact OD1-CB 3.4Å; N491-A494 PolarHBondContact OD1-N 2.88Å; N491-Q495 WeakPolarHBondContact O-CB 3.4Å; N491-Q495 PolarHBondContact O-N 2.74Å; N491-Q495 VanDerWaalsContact O-N 3.07Å; N491-Q495 PolarHBondContact OD1-N 3.23Å |
| 492 | T | 62.2 | Low | 65.7 | Low | 96 Ų | 96 | 115 Ų | 115 | 59% | 0.589 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -56.2 | -36.3 | 174.3 | -45.5 | 0 | 0 | 0 | 0 | 111.3 | L496 | T492-L496 WeakPolarHBondContact O-CB 3.5Å; T492-L496 WeakPolarHBondContact O-CD1 3.41Å; T492-L496 PolarHBondContact O-N 3.18Å |
| 493 | L | 69.5 | Low | 67.4 | Low | 133 Ų | 133 | 109.2 Ų | 109.2 | 70% | 0.696 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -73 | -56.8 | -178.8 | -175.6 | 62.3 | 0 | 0 | 0 | 113.8 | N491 Q495 L496 V497 | N491-L493 PolarHBondContact O-N 3.02Å; L493-Q495 VanDerWaalsContact C-N 3.31Å; L493-Q495 PolarHBondContact O-N 2.69Å; L493-L496 WeakPolarHBondContact O-CA 3.41Å; L493-L496 VanDerWaalsContact O-CB 3.31Å; L493-L496 WeakPolarHBondContact O-CB 3.48Å; L493-L496 PolarHBondContact O-N 3.2Å; L493-L496 VanDerWaalsContact O-N 3.08Å; L493-V497 PolarHBondContact O-N 3.43Å |
| 494 | A | 70.4 | Confident | 69.3 | Low | 28 Ų | 28 | 108.6 Ų | 108.6 | 23% | 0.231 | 58% | 0.584 | C | S | . | * | H | α-helix | trans | -75.6 | -22.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | S320 N491 L496 V497 I498 | S320-A494 WeakPolarHBondContact OG-CB 3.45Å; N491-A494 WeakPolarHBondContact OD1-CA 3.45Å; N491-A494 WeakPolarHBondContact OD1-CB 3.4Å; N491-A494 PolarHBondContact OD1-N 2.88Å; A494-L496 VanDerWaalsContact C-N 3.32Å; A494-V497 PolarHBondContact O-N 2.94Å; A494-I498 WeakPolarHBondContact O-CB 3.4Å; A494-I498 WeakPolarHBondContact O-CD1 3.33Å; A494-I498 VanDerWaalsContact O-CG1 3.24Å; A494-I498 WeakPolarHBondContact O-CG1 3.34Å; A494-I498 PolarHBondContact O-N 3.45Å |
| 495 | Q | 72.6 | Confident | 71.2 | Confident | 111 Ų | 111 | 105 Ų | 105 | 52% | 0.519 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -67.7 | -32.1 | 166.6 | -166.2 | 158.1 | 44.9 | 0 | 0 | 112.2 | N491 L493 Q499 | N491-Q495 WeakPolarHBondContact O-CB 3.4Å; N491-Q495 PolarHBondContact O-N 2.74Å; N491-Q495 VanDerWaalsContact O-N 3.07Å; N491-Q495 PolarHBondContact OD1-N 3.23Å; L493-Q495 VanDerWaalsContact C-N 3.31Å; L493-Q495 PolarHBondContact O-N 2.69Å; Q495-Q499 VanDerWaalsContact O-CB 3.28Å; Q495-Q499 WeakPolarHBondContact O-CB 3.42Å; Q495-Q499 PolarHBondContact O-N 2.65Å |
| 496 | L | 80.8 | Confident | 73.5 | Confident | 101 Ų | 101 | 104.1 Ų | 104.1 | 53% | 0.529 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -67.5 | -41.8 | 167.9 | -106.6 | 64.2 | 0 | 0 | 0 | 112.2 | T492 L493 A494 Q499 Q500 | T492-L496 WeakPolarHBondContact O-CB 3.5Å; T492-L496 WeakPolarHBondContact O-CD1 3.41Å; T492-L496 PolarHBondContact O-N 3.18Å; L493-L496 WeakPolarHBondContact O-CA 3.41Å; L493-L496 VanDerWaalsContact O-CB 3.31Å; L493-L496 WeakPolarHBondContact O-CB 3.48Å; L493-L496 PolarHBondContact O-N 3.2Å; L493-L496 VanDerWaalsContact O-N 3.08Å; A494-L496 VanDerWaalsContact C-N 3.32Å; L496-Q499 PolarHBondContact O-N 3.43Å; L496-Q500 WeakPolarHBondContact O-CB 3.5Å; L496-Q500 PolarHBondContact O-N 3.4Å |
| 497 | V | 88.1 | Confident | 75.6 | Confident | 77 Ų | 77 | 102.9 Ų | 102.9 | 47% | 0.467 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.5 | -45 | 176.3 | 174.8 | 0 | 0 | 0 | 0 | 111.3 | L493 A494 Q499 Q500 Q501 | L493-V497 PolarHBondContact O-N 3.43Å; A494-V497 PolarHBondContact O-N 2.94Å; V497-Q499 VanDerWaalsContact C-N 3.33Å; V497-Q499 PolarHBondContact O-N 3.13Å; V497-Q500 PolarHBondContact O-N 3.21Å; V497-Q501 WeakPolarHBondContact O-CB 3.41Å; V497-Q501 PolarHBondContact O-N 3.25Å |
| 498 | I | 86.4 | Confident | 77.7 | Confident | 106 Ų | 106 | 103.3 Ų | 103.3 | 54% | 0.544 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63 | -40.7 | 175.5 | -68.6 | 163.5 | 0 | 0 | 0 | 110.6 | A494 H502 | A494-I498 WeakPolarHBondContact O-CB 3.4Å; A494-I498 WeakPolarHBondContact O-CD1 3.33Å; A494-I498 VanDerWaalsContact O-CG1 3.24Å; A494-I498 WeakPolarHBondContact O-CG1 3.34Å; A494-I498 PolarHBondContact O-N 3.45Å; I498-H502 VanDerWaalsContact O-CB 3.28Å; I498-H502 WeakPolarHBondContact O-CB 3.39Å; I498-H502 PolarHBondContact O-N 3.04Å |
| 499 | Q | 82.4 | Confident | 79.4 | Confident | 133 Ų | 133 | 101.4 Ų | 101.4 | 62% | 0.621 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.6 | -43.8 | 175.5 | -175.3 | 178.1 | 110.1 | 0 | 0 | 112.1 | Q495 L496 V497 H502 Q503 | Q495-Q499 VanDerWaalsContact O-CB 3.28Å; Q495-Q499 WeakPolarHBondContact O-CB 3.42Å; Q495-Q499 PolarHBondContact O-N 2.65Å; L496-Q499 PolarHBondContact O-N 3.43Å; V497-Q499 VanDerWaalsContact C-N 3.33Å; V497-Q499 PolarHBondContact O-N 3.13Å; Q499-H502 PolarHBondContact O-N 2.95Å; Q499-Q503 WeakPolarHBondContact O-CB 3.49Å; Q499-Q503 PolarHBondContact O-N 3.35Å |
| 500 | Q | 86.4 | Confident | 81.2 | Confident | 140 Ų | 140 | 102 Ų | 102 | 65% | 0.654 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.3 | -46.6 | 177.1 | -176.5 | -175.7 | 77.2 | 0 | 0 | 111.4 | L496 V497 H502 Q503 H504 | L496-Q500 WeakPolarHBondContact O-CB 3.5Å; L496-Q500 PolarHBondContact O-N 3.4Å; V497-Q500 PolarHBondContact O-N 3.21Å; Q500-H502 VanDerWaalsContact C-N 3.35Å; Q500-H502 PolarHBondContact O-N 2.95Å; Q500-Q503 WeakPolarHBondContact O-CB 3.3Å; Q500-Q503 PolarHBondContact O-N 2.89Å; Q500-H504 PolarHBondContact O-N 3.38Å |
| 501 | Q | 83.8 | Confident | 82.7 | Confident | 142 Ų | 142 | 102.4 Ų | 102.4 | 66% | 0.664 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.7 | -40.6 | 176.8 | -171.7 | -173.5 | 67 | 0 | 0 | 111.8 | V497 H504 F505 | V497-Q501 WeakPolarHBondContact O-CB 3.41Å; V497-Q501 PolarHBondContact O-N 3.25Å; Q501-H504 PolarHBondContact O-N 3.49Å; Q501-F505 WeakPolarHBondContact O-CB 3.35Å; Q501-F505 PolarHBondContact O-N 3.18Å |
| 502 | H | 87.7 | Confident | 84.4 | Confident | 109 Ų | 109 | 108.4 Ų | 108.4 | 51% | 0.505 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.3 | -41.7 | 175.8 | -179.9 | 65.2 | 0 | 0 | 0 | 112.3 | I498 Q499 Q500 F505 L506 | I498-H502 VanDerWaalsContact O-CB 3.28Å; I498-H502 WeakPolarHBondContact O-CB 3.39Å; I498-H502 PolarHBondContact O-N 3.04Å; Q499-H502 PolarHBondContact O-N 2.95Å; Q500-H502 VanDerWaalsContact C-N 3.35Å; Q500-H502 PolarHBondContact O-N 2.95Å; H502-F505 PolarHBondContact O-N 2.98Å; H502-L506 WeakPolarHBondContact O-CG 3.4Å; H502-L506 PolarHBondContact O-N 3.24Å |
| 503 | Q | 87.9 | Confident | 85.7 | Confident | 111 Ų | 111 | 110.9 Ų | 110.9 | 52% | 0.519 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -58.9 | -51.8 | 175.3 | -151.8 | -81.5 | 69.4 | 0 | 0 | 109.9 | Q499 Q500 F505 L506 E507 | Q499-Q503 WeakPolarHBondContact O-CB 3.49Å; Q499-Q503 PolarHBondContact O-N 3.35Å; Q500-Q503 WeakPolarHBondContact O-CB 3.3Å; Q500-Q503 PolarHBondContact O-N 2.89Å; Q503-F505 VanDerWaalsContact C-N 3.33Å; Q503-F505 PolarHBondContact O-N 3.33Å; Q503-L506 WeakPolarHBondContact O-CB 3.31Å; Q503-L506 PolarHBondContact O-N 2.83Å; Q503-L506 VanDerWaalsContact O-N 3.11Å; Q503-E507 PolarHBondContact O-N 3.1Å |
| 504 | H | 88.4 | Confident | 86.7 | Confident | 121 Ų | 121 | 109 Ų | 109 | 56% | 0.56 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.7 | -31.9 | 178.9 | -165.2 | 60.2 | 0 | 0 | 0 | 113.4 | Q500 Q501 E507 K508 | Q500-H504 PolarHBondContact O-N 3.38Å; Q501-H504 PolarHBondContact O-N 3.49Å; H504-E507 IonicContact ND1-OE2 2.74Å; H504-E507 PolarHBondContact O-N 3.05Å; H504-K508 WeakPolarHBondContact O-CB 3.38Å; H504-K508 PolarHBondContact O-N 3.26Å |
| 505 | F | 95.1 | Very high | 87.6 | Confident | 116 Ų | 116 | 113 Ų | 113 | 51% | 0.509 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.2 | -44.5 | 170.9 | 173.8 | -94.4 | 0 | 0 | 0 | 112.2 | Q501 H502 Q503 E507 K508 Q509 | Q501-F505 WeakPolarHBondContact O-CB 3.35Å; Q501-F505 PolarHBondContact O-N 3.18Å; H502-F505 PolarHBondContact O-N 2.98Å; Q503-F505 VanDerWaalsContact C-N 3.33Å; Q503-F505 PolarHBondContact O-N 3.33Å; F505-E507 VanDerWaalsContact C-N 3.34Å; F505-K508 PolarHBondContact O-N 3.46Å; F505-Q509 HydrophobicContact CD1-CG 4.26Å; F505-Q509 HydrophobicContact CE1-CG 3.83Å; F505-Q509 HydrophobicContact CE2-CG 4.27Å; F505-Q509 HydrophobicContact CZ-CG 3.83Å; F505-Q509 WeakPolarHBondContact O-CG 3.39Å; F505-Q509 PolarHBondContact O-N 3.32Å |
| 506 | L | 93.5 | Very high | 88.4 | Confident | 94 Ų | 94 | 110.8 Ų | 110.8 | 49% | 0.492 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.2 | -39.7 | 176.4 | -69.5 | 175.7 | 0 | 0 | 0 | 111.8 | H502 Q503 Q509 K510 | H502-L506 WeakPolarHBondContact O-CG 3.4Å; H502-L506 PolarHBondContact O-N 3.24Å; Q503-L506 WeakPolarHBondContact O-CB 3.31Å; Q503-L506 PolarHBondContact O-N 2.83Å; Q503-L506 VanDerWaalsContact O-N 3.11Å; L506-Q509 PolarHBondContact O-N 3.02Å; L506-K510 PolarHBondContact O-N 3.02Å |
| 507 | E | 91.3 | Very high | 88.8 | Confident | 59 Ų | 59 | 111.3 Ų | 111.3 | 28% | 0.276 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.7 | -45.7 | 174.4 | -174.8 | 166.8 | -111.7 | 0 | 0 | 111.7 | Q503 H504 F505 Q509 K510 Q511 | Q503-E507 PolarHBondContact O-N 3.1Å; H504-E507 IonicContact ND1-OE2 2.74Å; H504-E507 PolarHBondContact O-N 3.05Å; F505-E507 VanDerWaalsContact C-N 3.34Å; E507-Q509 VanDerWaalsContact C-N 3.33Å; E507-Q509 PolarHBondContact O-N 2.9Å; E507-K510 WeakPolarHBondContact O-CB 3.49Å; E507-K510 PolarHBondContact O-N 2.94Å; E507-K510 VanDerWaalsContact O-N 3.17Å; E507-Q511 PolarHBondContact O-N 3.45Å |
| 508 | K | 89.9 | Confident | 88.9 | Confident | 142 Ų | 142 | 111.6 Ų | 111.6 | 62% | 0.617 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.7 | -36.8 | 175.3 | -169.3 | 170.4 | -174.6 | 172.2 | 0 | 112.6 | H504 F505 Q511 Y512 | H504-K508 WeakPolarHBondContact O-CB 3.38Å; H504-K508 PolarHBondContact O-N 3.26Å; F505-K508 PolarHBondContact O-N 3.46Å; K508-Q511 PolarHBondContact O-N 3.3Å; K508-Y512 WeakPolarHBondContact O-CB 3.46Å; K508-Y512 PolarHBondContact O-N 2.67Å |
| 509 | Q | 87.2 | Confident | 89 | Confident | 94 Ų | 94 | 110.5 Ų | 110.5 | 44% | 0.439 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.2 | -42.8 | 172.2 | -73.9 | -68.4 | -17.3 | 0 | 0 | 112.1 | F505 L506 E507 Y512 Q513 | F505-Q509 HydrophobicContact CD1-CG 4.26Å; F505-Q509 HydrophobicContact CE1-CG 3.83Å; F505-Q509 HydrophobicContact CE2-CG 4.27Å; F505-Q509 HydrophobicContact CZ-CG 3.83Å; F505-Q509 WeakPolarHBondContact O-CG 3.39Å; F505-Q509 PolarHBondContact O-N 3.32Å; L506-Q509 PolarHBondContact O-N 3.02Å; E507-Q509 VanDerWaalsContact C-N 3.33Å; E507-Q509 PolarHBondContact O-N 2.9Å; Q509-Y512 PolarHBondContact O-N 3.29Å; Q509-Q513 WeakPolarHBondContact O-CB 3.29Å; Q509-Q513 PolarHBondContact O-N 3.38Å |
| 510 | K | 89.4 | Confident | 89.3 | Confident | 121 Ų | 121 | 111 Ų | 111 | 53% | 0.526 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61 | -45.6 | 174.2 | -178.1 | -169.4 | 169.9 | -164.4 | 0 | 111.2 | Q129 L506 E507 Q513 Q514 | Q129-K510 VanDerWaalsContact OE1-NZ 3.16Å; L506-K510 PolarHBondContact O-N 3.02Å; E507-K510 WeakPolarHBondContact O-CB 3.49Å; E507-K510 PolarHBondContact O-N 2.94Å; E507-K510 VanDerWaalsContact O-N 3.17Å; K510-Q513 PolarHBondContact O-N 3.46Å; K510-Q514 WeakPolarHBondContact O-CB 3.43Å; K510-Q514 PolarHBondContact O-N 3.45Å |
| 511 | Q | 88.4 | Confident | 89.4 | Confident | 100 Ų | 100 | 109.2 Ų | 109.2 | 47% | 0.467 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.4 | -47.5 | 176.6 | -75.1 | -178.1 | -13.2 | 0 | 0 | 111.9 | E507 K508 Q513 Q514 Q515 | E507-Q511 PolarHBondContact O-N 3.45Å; K508-Q511 PolarHBondContact O-N 3.3Å; Q511-Q513 PolarHBondContact O-N 3.4Å; Q511-Q514 PolarHBondContact O-N 3.2Å; Q511-Q515 WeakPolarHBondContact O-CB 3.47Å; Q511-Q515 PolarHBondContact O-N 2.91Å |
| 512 | Y | 91.6 | Very high | 89.4 | Confident | 142 Ų | 142 | 106.7 Ų | 106.7 | 56% | 0.557 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.2 | -44.7 | 177 | 177.7 | -108.3 | 0 | 0 | 0 | 111.9 | K508 Q509 Q514 Q515 V516 | K508-Y512 WeakPolarHBondContact O-CB 3.46Å; K508-Y512 PolarHBondContact O-N 2.67Å; Q509-Y512 PolarHBondContact O-N 3.29Å; Y512-Q514 VanDerWaalsContact C-N 3.32Å; Y512-Q514 PolarHBondContact O-N 3.39Å; Y512-Q515 PolarHBondContact O-N 3.11Å; Y512-V516 HydrophobicContact CD1-CG2 4.35Å; Y512-V516 HydrophobicContact CD2-CG2 4.28Å; Y512-V516 HydrophobicContact CE1-CG2 3.91Å; Y512-V516 HydrophobicContact CE2-CG2 3.84Å; Y512-V516 WeakPolarHBondContact O-CB 3.25Å; Y512-V516 WeakPolarHBondContact O-CG2 3.31Å; Y512-V516 PolarHBondContact O-N 2.84Å |
| 513 | Q | 89.4 | Confident | 89.1 | Confident | 148 Ų | 148 | 105.1 Ų | 105.1 | 69% | 0.692 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.1 | -35.2 | 177.3 | -169.9 | 172.9 | 89.2 | 0 | 0 | 112.3 | Q509 K510 Q511 H517 | Q509-Q513 WeakPolarHBondContact O-CB 3.29Å; Q509-Q513 PolarHBondContact O-N 3.38Å; K510-Q513 PolarHBondContact O-N 3.46Å; Q511-Q513 PolarHBondContact O-N 3.4Å; Q513-H517 WeakPolarHBondContact O-CB 3.36Å; Q513-H517 PolarHBondContact O-N 2.87Å |
| 514 | Q | 90.8 | Very high | 88.5 | Confident | 94 Ų | 94 | 106.4 Ų | 106.4 | 44% | 0.439 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.5 | -42.9 | 171.9 | -178.9 | 173.2 | 83 | 0 | 0 | 112 | K510 Q511 Y512 H517 I518 | K510-Q514 WeakPolarHBondContact O-CB 3.43Å; K510-Q514 PolarHBondContact O-N 3.45Å; Q511-Q514 PolarHBondContact O-N 3.2Å; Y512-Q514 VanDerWaalsContact C-N 3.32Å; Y512-Q514 PolarHBondContact O-N 3.39Å; Q514-H517 WeakPolarHBondContact O-CB 3.42Å; Q514-H517 PolarHBondContact O-N 3.49Å; Q514-I518 HydrophobicContact CG-CD1 4.01Å; Q514-I518 WeakPolarHBondContact O-CG1 3.31Å; Q514-I518 PolarHBondContact O-N 3.49Å |
| 515 | Q | 88.8 | Confident | 87.7 | Confident | 113 Ų | 113 | 103.1 Ų | 103.1 | 53% | 0.528 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.8 | -42.9 | 176.3 | -170.2 | -177.5 | 29.8 | 0 | 0 | 111.5 | Q511 Y512 H517 I518 N519 | Q511-Q515 WeakPolarHBondContact O-CB 3.47Å; Q511-Q515 PolarHBondContact O-N 2.91Å; Y512-Q515 PolarHBondContact O-N 3.11Å; Q515-H517 VanDerWaalsContact C-N 3.32Å; Q515-H517 PolarHBondContact O-N 3.14Å; Q515-I518 PolarHBondContact O-N 3.07Å; Q515-N519 WeakPolarHBondContact O-CB 3.49Å; Q515-N519 VanDerWaalsContact O-CG 3.27Å; Q515-N519 PolarHBondContact O-N 3.02Å |
| 516 | V | 89.9 | Confident | 86.8 | Confident | 63 Ų | 63 | 102.5 Ų | 102.5 | 38% | 0.382 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.9 | -38.1 | 173.2 | 169.9 | 0 | 0 | 0 | 0 | 111.3 | Y512 K520 | Y512-V516 HydrophobicContact CD1-CG2 4.35Å; Y512-V516 HydrophobicContact CD2-CG2 4.28Å; Y512-V516 HydrophobicContact CE1-CG2 3.91Å; Y512-V516 HydrophobicContact CE2-CG2 3.84Å; Y512-V516 WeakPolarHBondContact O-CB 3.25Å; Y512-V516 WeakPolarHBondContact O-CG2 3.31Å; Y512-V516 PolarHBondContact O-N 2.84Å; V516-K520 WeakPolarHBondContact O-CB 3.49Å; V516-K520 PolarHBondContact O-N 3.34Å |
| 517 | H | 89 | Confident | 85.7 | Confident | 112 Ų | 112 | 102.5 Ų | 102.5 | 52% | 0.519 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.3 | -44.8 | 174.9 | -178.9 | 79.3 | 0 | 0 | 0 | 112.3 | Q513 Q514 Q515 K520 L521 | Q513-H517 WeakPolarHBondContact O-CB 3.36Å; Q513-H517 PolarHBondContact O-N 2.87Å; Q514-H517 WeakPolarHBondContact O-CB 3.42Å; Q514-H517 PolarHBondContact O-N 3.49Å; Q515-H517 VanDerWaalsContact C-N 3.32Å; Q515-H517 PolarHBondContact O-N 3.14Å; H517-K520 PolarHBondContact O-N 2.94Å; H517-L521 WeakPolarHBondContact O-CB 3.36Å; H517-L521 PolarHBondContact O-N 3.19Å |
| 518 | I | 89.2 | Confident | 84.4 | Confident | 84 Ų | 84 | 107 Ų | 107 | 43% | 0.431 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.8 | -51.5 | 175.5 | -70 | 166.2 | 0 | 0 | 0 | 110.1 | Q514 Q515 K520 L521 L522 | Q514-I518 HydrophobicContact CG-CD1 4.01Å; Q514-I518 WeakPolarHBondContact O-CG1 3.31Å; Q514-I518 PolarHBondContact O-N 3.49Å; Q515-I518 PolarHBondContact O-N 3.07Å; I518-K520 VanDerWaalsContact C-N 3.28Å; I518-K520 PolarHBondContact O-N 3.32Å; I518-L521 PolarHBondContact O-N 3.36Å; I518-L522 HydrophobicContact CG2-CD1 3.86Å; I518-L522 HydrophobicContact CG2-CG 4.27Å; I518-L522 WeakPolarHBondContact O-CG 3.29Å; I518-L522 PolarHBondContact O-N 3.46Å |
| 519 | N | 89.1 | Confident | 82.9 | Confident | 83 Ų | 83 | 107.1 Ų | 107.1 | 44% | 0.444 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -58.3 | -40.2 | 177.4 | -72.5 | -7.5 | 0 | 0 | 0 | 111.6 | Q515 L521 L522 S523 | Q515-N519 WeakPolarHBondContact O-CB 3.49Å; Q515-N519 VanDerWaalsContact O-CG 3.27Å; Q515-N519 PolarHBondContact O-N 3.02Å; N519-L521 PolarHBondContact O-N 3.18Å; N519-L522 PolarHBondContact O-N 3.16Å; N519-S523 WeakPolarHBondContact O-CB 3.47Å; N519-S523 PolarHBondContact O-N 3.32Å; N519-S523 PolarHBondContact O-OG 3.14Å |
| 520 | K | 89 | Confident | 81.5 | Confident | 142 Ų | 142 | 111.5 Ų | 111.5 | 62% | 0.617 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -67.4 | -32.7 | 176.1 | -173.7 | 169.1 | -174.6 | 169.6 | 0 | 113.2 | V516 H517 I518 K524 | V516-K520 WeakPolarHBondContact O-CB 3.49Å; V516-K520 PolarHBondContact O-N 3.34Å; H517-K520 PolarHBondContact O-N 2.94Å; I518-K520 VanDerWaalsContact C-N 3.28Å; I518-K520 PolarHBondContact O-N 3.32Å; K520-K524 WeakPolarHBondContact O-CB 3.4Å; K520-K524 WeakPolarHBondContact O-CG 3.49Å; K520-K524 PolarHBondContact O-N 3.35Å; K520-K524 VanDerWaalsContact O-N 3.09Å |
| 521 | L | 87.8 | Confident | 79.6 | Confident | 103 Ų | 103 | 111.5 Ų | 111.5 | 54% | 0.539 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -74.5 | -40.3 | 174.8 | -168.2 | 150.5 | 0 | 0 | 0 | 111.1 | H517 I518 N519 K524 S525 | H517-L521 WeakPolarHBondContact O-CB 3.36Å; H517-L521 PolarHBondContact O-N 3.19Å; I518-L521 PolarHBondContact O-N 3.36Å; N519-L521 PolarHBondContact O-N 3.18Å; L521-K524 PolarHBondContact O-N 3.44Å; L521-S525 WeakPolarHBondContact O-CB 3.41Å; L521-S525 PolarHBondContact O-N 3.08Å |
| 522 | L | 83.8 | Confident | 77.4 | Confident | 89 Ų | 89 | 111.4 Ų | 111.4 | 47% | 0.466 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.8 | -46.9 | 171.8 | -68.3 | 174.1 | 0 | 0 | 0 | 111.5 | I518 N519 K524 S525 I526 | I518-L522 HydrophobicContact CG2-CD1 3.86Å; I518-L522 HydrophobicContact CG2-CG 4.27Å; I518-L522 WeakPolarHBondContact O-CG 3.29Å; I518-L522 PolarHBondContact O-N 3.46Å; N519-L522 PolarHBondContact O-N 3.16Å; L522-K524 VanDerWaalsContact C-N 3.31Å; L522-K524 PolarHBondContact O-N 3.01Å; L522-S525 WeakPolarHBondContact O-CB 3.36Å; L522-S525 PolarHBondContact O-N 3.33Å; L522-S525 VanDerWaalsContact O-N 3.14Å; L522-I526 WeakPolarHBondContact O-CB 3.45Å; L522-I526 WeakPolarHBondContact O-CD1 3.37Å; L522-I526 VanDerWaalsContact O-CG1 3.24Å; L522-I526 WeakPolarHBondContact O-CG1 3.37Å; L522-I526 PolarHBondContact O-N 3.31Å |
| 523 | S | 81.6 | Confident | 75.2 | Confident | 76 Ų | 76 | 109.7 Ų | 109.7 | 53% | 0.531 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -59.7 | -39.3 | 174.4 | -62.9 | 0 | 0 | 0 | 0 | 112.2 | N519 E527 | N519-S523 WeakPolarHBondContact O-CB 3.47Å; N519-S523 PolarHBondContact O-N 3.32Å; N519-S523 PolarHBondContact O-OG 3.14Å; S523-E527 WeakPolarHBondContact O-CB 3.48Å; S523-E527 PolarHBondContact O-N 3.13Å |
| 524 | K | 74.6 | Confident | 72.8 | Confident | 138 Ų | 138 | 108.9 Ų | 108.9 | 60% | 0.6 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64.6 | -41.6 | 172.9 | -84.9 | -171.6 | 162.8 | -143.6 | 0 | 112.9 | K520 L521 L522 E527 Q528 | K520-K524 WeakPolarHBondContact O-CB 3.4Å; K520-K524 WeakPolarHBondContact O-CG 3.49Å; K520-K524 PolarHBondContact O-N 3.35Å; K520-K524 VanDerWaalsContact O-N 3.09Å; L521-K524 PolarHBondContact O-N 3.44Å; L522-K524 VanDerWaalsContact C-N 3.31Å; L522-K524 PolarHBondContact O-N 3.01Å; K524-E527 PolarHBondContact O-N 2.85Å; K524-Q528 PolarHBondContact O-N 3.47Å |
| 525 | S | 71.6 | Confident | 70.3 | Confident | 53 Ų | 53 | 112.9 Ų | 112.9 | 37% | 0.371 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.2 | -45.4 | 176.7 | -172.6 | 0 | 0 | 0 | 0 | 111.1 | L521 L522 E527 Q528 L529 | L521-S525 WeakPolarHBondContact O-CB 3.41Å; L521-S525 PolarHBondContact O-N 3.08Å; L522-S525 WeakPolarHBondContact O-CB 3.36Å; L522-S525 PolarHBondContact O-N 3.33Å; L522-S525 VanDerWaalsContact O-N 3.14Å; S525-E527 VanDerWaalsContact C-N 3.33Å; S525-E527 PolarHBondContact O-N 2.89Å; S525-Q528 PolarHBondContact O-N 3.32Å; S525-L529 WeakPolarHBondContact O-CB 3.29Å; S525-L529 PolarHBondContact O-N 3.49Å |
| 526 | I | 76.4 | Confident | 68 | Low | 102 Ų | 102 | 115.1 Ų | 115.1 | 52% | 0.523 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -61.4 | -40.6 | 175.1 | -68 | 162.6 | 0 | 0 | 0 | 110.9 | L522 L529 R530 | L522-I526 WeakPolarHBondContact O-CB 3.45Å; L522-I526 WeakPolarHBondContact O-CD1 3.37Å; L522-I526 VanDerWaalsContact O-CG1 3.24Å; L522-I526 WeakPolarHBondContact O-CG1 3.37Å; L522-I526 PolarHBondContact O-N 3.31Å; I526-L529 CarbonylContact O-C 3.58Å; I526-L529 PolarHBondContact O-N 3.16Å; I526-R530 WeakPolarHBondContact O-CB 3.37Å; I526-R530 PolarHBondContact O-N 2.98Å |
| 527 | E | 71 | Confident | 65.5 | Low | 95 Ų | 95 | 121 Ų | 121 | 44% | 0.444 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -66.5 | -42.7 | 175 | -166.9 | 60.4 | -139.5 | 0 | 0 | 111.6 | S523 K524 S525 L529 R530 Q531 | S523-E527 WeakPolarHBondContact O-CB 3.48Å; S523-E527 PolarHBondContact O-N 3.13Å; K524-E527 PolarHBondContact O-N 2.85Å; S525-E527 VanDerWaalsContact C-N 3.33Å; S525-E527 PolarHBondContact O-N 2.89Å; E527-L529 VanDerWaalsContact C-N 3.3Å; E527-L529 PolarHBondContact O-N 3.42Å; E527-R530 CarbonylContact O-C 3.5Å; E527-R530 WeakPolarHBondContact O-CA 3.5Å; E527-R530 PolarHBondContact O-N 3.01Å; E527-Q531 VanDerWaalsContact O-CG 3.26Å; E527-Q531 WeakPolarHBondContact O-CG 3.24Å; E527-Q531 PolarHBondContact O-N 3.49Å; E527-Q531 VanDerWaalsContact O-N 3.11Å; E527-Q531 PolarHBondContact OE1-NE2 3.4Å; E527-Q531 VanDerWaalsContact OE1-NE2 3.1Å |
| 528 | Q | 63.6 | Low | 63.1 | Low | 154 Ų | 154 | 125.1 Ų | 125.1 | 72% | 0.72 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -61.8 | -35.5 | 172.8 | -77.5 | -175.5 | -105.4 | 0 | 0 | 112.8 | K524 S525 R530 | K524-Q528 PolarHBondContact O-N 3.47Å; S525-Q528 PolarHBondContact O-N 3.32Å; Q528-R530 VanDerWaalsContact C-N 3.32Å |
| 529 | L | 58.2 | Low | 60.8 | Low | 143 Ų | 143 | 125.8 Ų | 125.8 | 75% | 0.749 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -73.4 | -20.6 | 172.3 | -90.9 | 141.1 | 0 | 0 | 0 | 113.4 | S525 I526 E527 | S525-L529 WeakPolarHBondContact O-CB 3.29Å; S525-L529 PolarHBondContact O-N 3.49Å; I526-L529 CarbonylContact O-C 3.58Å; I526-L529 PolarHBondContact O-N 3.16Å; E527-L529 VanDerWaalsContact C-N 3.3Å; E527-L529 PolarHBondContact O-N 3.42Å |
| 530 | R | 58.8 | Low | 58.3 | Low | 186 Ų | 186 | 130.5 Ų | 130.5 | 70% | 0.702 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -88.8 | -7.6 | 176 | -155.9 | -178.7 | -169.9 | 89.5 | 5.3 | 113.2 | I526 E527 Q528 P532 | I526-R530 WeakPolarHBondContact O-CB 3.37Å; I526-R530 PolarHBondContact O-N 2.98Å; E527-R530 CarbonylContact O-C 3.5Å; E527-R530 WeakPolarHBondContact O-CA 3.5Å; E527-R530 PolarHBondContact O-N 3.01Å; Q528-R530 VanDerWaalsContact C-N 3.32Å; R530-P532 WeakPolarHBondContact O-CD 3.48Å |
| 531 | Q | 48.2 | Very low | 55.8 | Low | 121 Ų | 121 | 132.8 Ų | 132.8 | 57% | 0.565 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -108.1 | 72.4 | 177.8 | -64 | -71.5 | -21.1 | 0 | 0 | 110.7 | E527 S533 | E527-Q531 VanDerWaalsContact O-CG 3.26Å; E527-Q531 WeakPolarHBondContact O-CG 3.24Å; E527-Q531 PolarHBondContact O-N 3.49Å; E527-Q531 VanDerWaalsContact O-N 3.11Å; E527-Q531 PolarHBondContact OE1-NE2 3.4Å; E527-Q531 VanDerWaalsContact OE1-NE2 3.1Å; Q531-S533 PolarHBondContact O-N 2.9Å; Q531-S533 VanDerWaalsContact O-N 3.12Å |
| 532 | P | 43.8 | Very low | 53.5 | Low | 98 Ų | 98 | 136.4 Ų | 136.4 | 64% | 0.636 | 69% | 0.694 | S | S | * | * | trans | -69.7 | 108.6 | 174.9 | 30.1 | -34.1 | 0 | 0 | 0 | 110.6 | R530 T534 | R530-P532 WeakPolarHBondContact O-CD 3.48Å; P532-T534 PolarHBondContact O-N 3.31Å; P532-T534 PolarHBondContact O-OG1 3.17Å | ||
| 533 | S | 43.8 | Very low | 51.1 | Low | 106 Ų | 106 | 140.1 Ų | 140.1 | 74% | 0.741 | 71% | 0.709 | S | S | * | * | S | Bend | trans | 33.7 | 59.7 | 150.2 | -167.4 | 0 | 0 | 0 | 0 | 118 | Q531 | Q531-S533 PolarHBondContact O-N 2.9Å; Q531-S533 VanDerWaalsContact O-N 3.12Å |
| 534 | T | 40.2 | Very low | 48.7 | Very low | 132 Ų | 132 | 144.6 Ų | 144.6 | 81% | 0.81 | 72% | 0.722 | S | S | * | * | trans | -121.6 | 34.3 | 173.6 | 40.7 | 0 | 0 | 0 | 0 | 112.8 | P532 | P532-T534 PolarHBondContact O-N 3.31Å; P532-T534 PolarHBondContact O-OG1 3.17Å | ||
| 535 | H | 38.1 | Very low | 46.8 | Very low | 177 Ų | 177 | 145.1 Ų | 145.1 | 82% | 0.819 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -147.9 | 59.5 | 169.3 | -168.2 | -61.5 | 0 | 0 | 0 | 111 | ||
| 536 | L | 41.4 | Very low | 44.9 | Very low | 161 Ų | 161 | 150 Ų | 150 | 84% | 0.843 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -142.2 | 10.4 | 169 | -99.6 | -179.9 | 0 | 0 | 0 | 113.9 | ||
| 537 | Q | 36.9 | Very low | 42.7 | Very low | 186 Ų | 186 | 154.2 Ų | 154.2 | 87% | 0.869 | 76% | 0.761 | S | S | * | * | trans | -148.3 | 60.2 | 179.8 | -162 | 165.4 | 2.6 | 0 | 0 | 112 | ||||
| 538 | E | 38.5 | Very low | 41.8 | Very low | 198 Ų | 198 | 154.5 Ų | 154.5 | 93% | 0.925 | 77% | 0.771 | S | S | * | * | trans | -136.7 | 75.2 | 160.7 | -79.8 | -163.9 | 137.2 | 0 | 0 | 109 | ||||
| 539 | S | 39.6 | Very low | 40.1 | Very low | 99 Ų | 99 | 155.3 Ų | 155.3 | 69% | 0.692 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -166.8 | 119 | 159.3 | -177.7 | 0 | 0 | 0 | 0 | 106.8 | ||
| 540 | E | 38.1 | Very low | 38.8 | Very low | 181 Ų | 181 | 155 Ų | 155 | 85% | 0.846 | 77% | 0.767 | S | S | * | * | S | Bend | trans | 66.9 | 129.9 | -173.5 | -55.6 | 167.4 | 118.9 | 0 | 0 | 111.8 | ||
| 541 | E | 36.2 | Very low | 37.5 | Very low | 191 Ų | 191 | 154.4 Ų | 154.4 | 89% | 0.893 | 77% | 0.772 | S | S | * | * | cis | -131.8 | 150.8 | 11.5 | -64 | 173.9 | 125.6 | 0 | 0 | 111.9 | ||||
| 542 | E | 39.3 | Very low | 36.7 | Very low | 178 Ų | 178 | 154 Ų | 154 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | trans | -95 | 118.7 | 160 | -71 | -175.7 | 145 | 0 | 0 | 109 | ||||
| 543 | Q | 33 | Very low | 36.2 | Very low | 167 Ų | 167 | 157.4 Ų | 157.4 | 78% | 0.78 | 79% | 0.785 | S | S | * | * | trans | 166.8 | 153.3 | 139.9 | -94.3 | 146 | 75.3 | 0 | 0 | 112.4 | ||||
| 544 | E | 32.4 | Very low | 35.5 | Very low | 171 Ų | 171 | 157.6 Ų | 157.6 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | trans | 63.1 | 146.6 | 159.9 | -70.4 | 171.5 | -175.8 | 0 | 0 | 118.4 | ||||
| 545 | E | 33.6 | Very low | 35.1 | Very low | 148 Ų | 148 | 159.3 Ų | 159.3 | 69% | 0.692 | 79% | 0.787 | S | S | * | * | cis | -157.2 | 154.5 | -21.9 | -172.5 | 159.4 | -145.4 | 0 | 0 | 111.4 | ||||
| 546 | Q | 31.8 | Very low | 34.7 | Very low | 156 Ų | 156 | 158.2 Ų | 158.2 | 73% | 0.729 | 78% | 0.783 | S | S | * | * | trans | 21.9 | 108.1 | 160.2 | -63.1 | 171.2 | 56.1 | 0 | 0 | 122.7 | ||||
| 547 | Q | 30.7 | Very low | 34.2 | Very low | 190 Ų | 190 | 158.6 Ų | 158.6 | 89% | 0.888 | 78% | 0.78 | S | S | * | * | 54.9 | -178.4 | 117.4 | -114.2 | -162.1 | 86.8 | 0 | 0 | 121 | |||||
| 548 | P | 51.1 | Low | 33.9 | Very low | 101 Ų | 101 | 156.1 Ų | 156.1 | 66% | 0.656 | 77% | 0.773 | S | S | * | * | -128.8 | 171.9 | -128.3 | 43.7 | -25.6 | 0 | 0 | 0 | 117.4 | |||||
| 549 | K | 28.9 | Very low | 33.6 | Very low | 172 Ų | 172 | 156.6 Ų | 156.6 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | trans | 167.3 | 166.4 | 149.4 | -98.2 | 176.6 | 175.4 | -74.7 | 0 | 108.1 | ||||
| 550 | E | 31.6 | Very low | 33.5 | Very low | 136 Ų | 136 | 159.3 Ų | 159.3 | 64% | 0.636 | 77% | 0.772 | S | S | * | * | cis | 171.1 | 143.9 | -31.7 | -106.9 | 173.3 | -167.1 | 0 | 0 | 104.4 | ||||
| 551 | E | 31.3 | Very low | 34.5 | Very low | 173 Ų | 173 | 155.9 Ų | 155.9 | 81% | 0.808 | 77% | 0.766 | S | S | * | * | trans | 65.4 | 154.5 | 163 | -62.7 | 173.8 | 179.4 | 0 | 0 | 117.7 | ||||
| 552 | T | 31.3 | Very low | 35.3 | Very low | 112 Ų | 112 | 152.4 Ų | 152.4 | 69% | 0.687 | 76% | 0.759 | S | S | * | * | cis | -138 | 148.6 | 10.5 | -22.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 553 | E | 31.9 | Very low | 34.8 | Very low | 170 Ų | 170 | 148 Ų | 148 | 79% | 0.794 | 76% | 0.763 | S | S | * | * | trans | 13.6 | 141.6 | 155.2 | -63.4 | 177.7 | 125.1 | 0 | 0 | 121.7 | ||||
| 554 | S | 29.3 | Very low | 34.7 | Very low | 110 Ų | 110 | 143.6 Ų | 143.6 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | -168.9 | 148.7 | 60.7 | 34.3 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 555 | M | 31.7 | Very low | 34.7 | Very low | 168 Ų | 168 | 141.7 Ų | 141.7 | 83% | 0.828 | 76% | 0.761 | S | S | * | * | trans | 33.8 | 109.3 | 154 | -64.5 | 177.8 | -178.9 | 0 | 0 | 119.3 | ||||
| 556 | Q | 31.3 | Very low | 34.7 | Very low | 155 Ų | 155 | 141.5 Ų | 141.5 | 72% | 0.724 | 76% | 0.763 | S | S | * | * | 76.4 | 126.6 | 81.7 | -171.1 | 171 | 6.8 | 0 | 0 | 112.1 | |||||
| 557 | E | 30.2 | Very low | 34.8 | Very low | 168 Ų | 168 | 144.5 Ų | 144.5 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | cis | -142 | -173.2 | 29.1 | -155 | 144.5 | -131.3 | 0 | 0 | 116 | ||||
| 558 | D | 30.4 | Very low | 34.7 | Very low | 135 Ų | 135 | 144.5 Ų | 144.5 | 72% | 0.722 | 77% | 0.765 | S | S | * | * | trans | -86.4 | 115.7 | -150.5 | -158 | 39.1 | 0 | 0 | 0 | 117.1 | ||||
| 559 | R | 31.9 | Very low | 33.6 | Very low | 207 Ų | 207 | 147.9 Ų | 147.9 | 78% | 0.781 | 77% | 0.772 | S | S | * | * | 46.4 | 101.8 | 120.1 | -156.8 | -179.4 | -160.6 | -158.5 | 6.4 | 121.4 | |||||
| 560 | L | 37 | Very low | 33.8 | Very low | 157 Ų | 157 | 144.9 Ų | 144.9 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | 44.8 | 160.4 | 121.5 | -59.5 | 179 | 0 | 0 | 0 | 122.4 | |||||
| 561 | P | 58.8 | Low | 34 | Very low | 109 Ų | 109 | 144.2 Ų | 144.2 | 71% | 0.708 | 77% | 0.768 | S | S | * | * | cis | -136.8 | -129.8 | -36.5 | 41 | -20.1 | 0 | 0 | 0 | 109.2 | ||||
| 562 | P | 53.3 | Low | 34.2 | Very low | 117 Ų | 117 | 141.2 Ų | 141.2 | 76% | 0.76 | 77% | 0.766 | S | S | * | * | cis | -125.8 | 157.5 | -44.1 | 36.1 | -20.6 | 0 | 0 | 0 | 115.8 | ||||
| 563 | G | 29.7 | Very low | 34.5 | Very low | 87 Ų | 87 | 141.4 Ų | 141.4 | 90% | 0.897 | 77% | 0.772 | S | S | * | * | trans | 98.4 | 151.8 | 138.5 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 564 | G | 31.3 | Very low | 34.7 | Very low | 73 Ų | 73 | 138.5 Ų | 138.5 | 75% | 0.753 | 77% | 0.77 | S | S | * | * | trans | 122.2 | 80.3 | 154.5 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 565 | V | 31.1 | Very low | 34.8 | Very low | 131 Ų | 131 | 138 Ų | 138 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | 56.6 | 103.8 | 119.8 | 176.9 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 566 | I | 34.7 | Very low | 34.8 | Very low | 145 Ų | 145 | 135 Ų | 135 | 74% | 0.744 | 76% | 0.763 | S | S | * | * | trans | 88.6 | 127.9 | 131 | -73.6 | -178.5 | 0 | 0 | 0 | 123.8 | ||||
| 567 | R | 32.9 | Very low | 34.9 | Very low | 219 Ų | 219 | 133.6 Ų | 133.6 | 83% | 0.826 | 77% | 0.77 | S | S | * | * | trans | 78.3 | 111 | 148.6 | -88.1 | 169.3 | -175.6 | -160.6 | 1.6 | 124.9 | ||||
| 568 | K | 30 | Very low | 35 | Very low | 189 Ų | 189 | 129.4 Ų | 129.4 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | 69.1 | 131 | 119 | -74.2 | -165.2 | 171.9 | -153.5 | 0 | 123.4 | |||||
| 569 | H | 27.2 | Very low | 34.9 | Very low | 173 Ų | 173 | 128.7 Ų | 128.7 | 80% | 0.801 | 78% | 0.777 | S | S | * | * | trans | -85.5 | 146.7 | 168.4 | -71 | -75.8 | 0 | 0 | 0 | 111.8 | ||||
| 570 | T | 33.3 | Very low | 34.9 | Very low | 108 Ų | 108 | 124 Ų | 124 | 66% | 0.663 | 78% | 0.776 | S | S | * | * | cis | 75 | 127.8 | 47.2 | 62.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 571 | L | 35.7 | Very low | 34.7 | Very low | 122 Ų | 122 | 122.5 Ų | 122.5 | 64% | 0.639 | 78% | 0.779 | S | S | * | * | cis | -139.3 | -178.6 | 4.1 | -92.1 | 147.3 | 0 | 0 | 0 | 109.3 | V594 | L571-V594 HydrophobicContact CD1-CG1 4.12Š| ||
| 572 | S | 35.7 | Very low | 33.4 | Very low | 110 Ų | 110 | 121.1 Ų | 121.1 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | cis | 61.1 | 142.1 | 48.7 | -44.1 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 573 | S | 37.1 | Very low | 32.4 | Very low | 116 Ų | 116 | 124.9 Ų | 124.9 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | cis | -139.6 | -154.4 | 15.3 | 56.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 574 | S | 35.3 | Very low | 32.8 | Very low | 109 Ų | 109 | 128.1 Ų | 128.1 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | cis | -154.3 | -156 | 12.1 | 49.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 575 | S | 32.1 | Very low | 33.6 | Very low | 101 Ų | 101 | 130 Ų | 130 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | cis | -162.2 | -172.6 | 9.9 | 75.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 576 | S | 32.3 | Very low | 33.5 | Very low | 104 Ų | 104 | 131.3 Ų | 131.3 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | trans | 76.2 | 89 | 165 | 71.4 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 577 | S | 32.6 | Very low | 33.3 | Very low | 125 Ų | 125 | 127.7 Ų | 127.7 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | trans | 40 | 123.8 | 131.7 | 59.2 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 578 | G | 32 | Very low | 33.2 | Very low | 80 Ų | 80 | 125.7 Ų | 125.7 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | trans | -176 | 138.4 | 155.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 579 | S | 30.1 | Very low | 33.2 | Very low | 120 Ų | 120 | 122.3 Ų | 122.3 | 84% | 0.839 | 78% | 0.78 | S | S | * | * | trans | -125.9 | 145.9 | -164.1 | -54.3 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 580 | S | 31 | Very low | 33.4 | Very low | 109 Ų | 109 | 117.8 Ų | 117.8 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | 156.3 | 150.9 | 116.5 | 57.2 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 581 | S | 32.5 | Very low | 33.2 | Very low | 126 Ų | 126 | 119.5 Ų | 119.5 | 88% | 0.881 | 79% | 0.79 | S | S | * | * | trans | 70.8 | 145.1 | 157.7 | 72.8 | 0 | 0 | 0 | 0 | 121 | ||||
| 582 | G | 32.8 | Very low | 33.1 | Very low | 79 Ų | 79 | 121.5 Ų | 121.5 | 81% | 0.814 | 80% | 0.799 | S | S | * | * | trans | 120.5 | 126 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 583 | E | 31.4 | Very low | 33.2 | Very low | 196 Ų | 196 | 125.9 Ų | 125.9 | 92% | 0.916 | 80% | 0.804 | S | S | * | * | trans | -101.8 | 158 | -172 | -71.5 | -173.6 | 107.9 | 0 | 0 | 115.9 | ||||
| 584 | L | 37.3 | Very low | 32.9 | Very low | 155 Ų | 155 | 125.9 Ų | 125.9 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | trans | -31.4 | 170 | 164.2 | -61.5 | 167.6 | 0 | 0 | 0 | 118.1 | ||||
| 585 | P | 49.8 | Very low | 33 | Very low | 114 Ų | 114 | 128.9 Ų | 128.9 | 74% | 0.74 | 80% | 0.799 | S | S | * | * | cis | -141.5 | 172.6 | -39.1 | 39.2 | -24 | 0 | 0 | 0 | 113.6 | ||||
| 586 | D | 27.4 | Very low | 33.2 | Very low | 158 Ų | 158 | 131.7 Ų | 131.7 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | -169.6 | 167.2 | 119.4 | -156.7 | 11 | 0 | 0 | 0 | 112.9 | |||||
| 587 | A | 31 | Very low | 33.2 | Very low | 68 Ų | 68 | 135.2 Ų | 135.2 | 56% | 0.562 | 81% | 0.806 | S | S | * | * | trans | 69.8 | 86.3 | 149.1 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 588 | H | 30.5 | Very low | 33.7 | Very low | 177 Ų | 177 | 134.9 Ų | 134.9 | 82% | 0.819 | 80% | 0.8 | S | S | * | * | 83.3 | 118.6 | 128.7 | -77.7 | -79.5 | 0 | 0 | 0 | 124.3 | |||||
| 589 | C | 30.1 | Very low | 33.9 | Very low | 119 Ų | 119 | 135.4 Ų | 135.4 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | 76.6 | 100.3 | 133.9 | -70 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 590 | G | 32.1 | Very low | 34.1 | Very low | 78 Ų | 78 | 137.2 Ų | 137.2 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | 103.1 | 100.4 | 113 | 0 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 591 | V | 27.7 | Very low | 34.5 | Very low | 143 Ų | 143 | 135.7 Ų | 135.7 | 87% | 0.867 | 79% | 0.786 | S | S | * | * | trans | -125.2 | 137.2 | 172.7 | 176.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 592 | I | 34.8 | Very low | 35.1 | Very low | 165 Ų | 165 | 138 Ų | 138 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | trans | -123.4 | 148.7 | 169.3 | -63 | -178.7 | 0 | 0 | 0 | 109.1 | ||||
| 593 | K | 36.8 | Very low | 35.4 | Very low | 201 Ų | 201 | 140.3 Ų | 140.3 | 87% | 0.874 | 78% | 0.777 | S | S | * | * | trans | -86.2 | 159.9 | -163.7 | -63.8 | 173.9 | 178.5 | 174.9 | 0 | 114 | ||||
| 594 | V | 30.5 | Very low | 36.1 | Very low | 116 Ų | 116 | 137.7 Ų | 137.7 | 70% | 0.703 | 77% | 0.765 | S | S | * | * | trans | -114.8 | 149 | 167.6 | 176.6 | 0 | 0 | 0 | 0 | 109.4 | L571 | L571-V594 HydrophobicContact CD1-CG1 4.12Š| ||
| 595 | K | 38 | Very low | 36.4 | Very low | 173 Ų | 173 | 134.4 Ų | 134.4 | 75% | 0.752 | 76% | 0.76 | S | S | * | * | trans | -148.1 | 106.3 | 173.2 | -177.3 | 172 | 169.4 | 78.8 | 0 | 106.3 | ||||
| 596 | E | 37.3 | Very low | 36.2 | Very low | 159 Ų | 159 | 135.6 Ų | 135.6 | 74% | 0.743 | 76% | 0.759 | S | S | * | * | 93.2 | 133.2 | 87.2 | -165.1 | -178.9 | 178.2 | 0 | 0 | 111.4 | |||||
| 597 | E | 31.6 | Very low | 37.2 | Very low | 179 Ų | 179 | 131.3 Ų | 131.3 | 84% | 0.836 | 74% | 0.739 | S | S | * | * | trans | -135.5 | 154.4 | -171.3 | 179.6 | -163.7 | -115.6 | 0 | 0 | 108.8 | ||||
| 598 | P | 43.2 | Very low | 37.7 | Very low | 117 Ų | 117 | 132.8 Ų | 132.8 | 76% | 0.76 | 74% | 0.738 | S | S | * | * | trans | -123.7 | 126.1 | 163.6 | 35.7 | -21.8 | 0 | 0 | 0 | 115.6 | ||||
| 599 | A | 35.7 | Very low | 38.7 | Very low | 91 Ų | 91 | 134.2 Ų | 134.2 | 75% | 0.752 | 74% | 0.736 | S | S | * | * | trans | 70.7 | 102.2 | 133 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 600 | D | 35.3 | Very low | 39.6 | Very low | 159 Ų | 159 | 136.9 Ų | 136.9 | 85% | 0.85 | 73% | 0.729 | S | S | * | * | 80 | 126.6 | 109.8 | -146.2 | 15 | 0 | 0 | 0 | 121.7 | |||||
| 601 | S | 38.7 | Very low | 40.5 | Very low | 76 Ų | 76 | 138.1 Ų | 138.1 | 53% | 0.531 | 72% | 0.717 | S | S | . | * | 156.3 | 146.8 | 109.1 | -156.6 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 602 | E | 44.2 | Very low | 41.7 | Very low | 174 Ų | 174 | 138.4 Ų | 138.4 | 81% | 0.813 | 71% | 0.709 | S | S | * | * | trans | 35.9 | 110.6 | 152.5 | 68.9 | -148.3 | 118.9 | 0 | 0 | 125.2 | ||||
| 603 | D | 40.2 | Very low | 42.4 | Very low | 128 Ų | 128 | 133.7 Ų | 133.7 | 68% | 0.684 | 69% | 0.69 | S | S | * | * | trans | -160.1 | -20 | 140 | -153.9 | 14.1 | 0 | 0 | 0 | 115.4 | A605 | D603-A605 PolarHBondContact O-N 3.18Š| ||
| 604 | E | 45.3 | Very low | 43.1 | Very low | 141 Ų | 141 | 129 Ų | 129 | 66% | 0.659 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | -0.5 | -175.1 | -86.6 | -71.4 | 174.4 | 0 | 0 | 116.7 | T607 N608 | E604-T607 PolarHBondContact O-OG1 3.39Å; E604-T607 VanDerWaalsContact O-OG1 3.09Å; E604-T607 PolarHBondContact OE2-OG1 3.23Å; E604-N608 PolarHBondContact O-ND2 3.42Å |
| 605 | A | 44 | Very low | 43.9 | Very low | 87 Ų | 87 | 130.5 Ų | 130.5 | 72% | 0.719 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -74.4 | -24.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | D603 | D603-A605 PolarHBondContact O-N 3.18Å |
| 606 | L | 45.5 | Very low | 44.5 | Very low | 138 Ų | 138 | 126 Ų | 126 | 72% | 0.723 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -87.9 | -23.7 | -171.8 | -64.2 | 176.5 | 0 | 0 | 0 | 113.9 | ||
| 607 | T | 48.4 | Very low | 45.3 | Very low | 69 Ų | 69 | 122.8 Ų | 122.8 | 42% | 0.423 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -68.3 | -50.9 | -177.5 | 53.6 | 0 | 0 | 0 | 0 | 111.6 | E604 R609 R610 | E604-T607 PolarHBondContact O-OG1 3.39Å; E604-T607 VanDerWaalsContact O-OG1 3.09Å; E604-T607 PolarHBondContact OE2-OG1 3.23Å; T607-R609 PolarHBondContact O-N 3.03Å; T607-R610 PolarHBondContact O-N 3.18Å |
| 608 | N | 42.6 | Very low | 46.2 | Very low | 98 Ų | 98 | 122 Ų | 122 | 52% | 0.524 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -64.4 | -41.5 | -170.9 | -71.7 | -76 | 0 | 0 | 0 | 113.3 | E604 R610 L611 | E604-N608 PolarHBondContact O-ND2 3.42Å; N608-R610 PolarHBondContact O-N 3.32Å; N608-R610 VanDerWaalsContact O-N 3.13Å; N608-L611 PolarHBondContact O-N 3.29Å |
| 609 | R | 50.1 | Low | 46.5 | Very low | 208 Ų | 208 | 122.1 Ų | 122.1 | 79% | 0.785 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -59.1 | -26.5 | 177.7 | 176.2 | 172.2 | -79 | -135.7 | -1.3 | 113.2 | T607 | T607-R609 PolarHBondContact O-N 3.03Å |
| 610 | R | 49.1 | Very low | 47.3 | Very low | 175 Ų | 175 | 124.8 Ų | 124.8 | 66% | 0.66 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -74 | -42.9 | 178.3 | -170.4 | 173.7 | -179.9 | 160.8 | 3.7 | 111.9 | T607 N608 E612 S613 E614 | T607-R610 PolarHBondContact O-N 3.18Å; N608-R610 PolarHBondContact O-N 3.32Å; N608-R610 VanDerWaalsContact O-N 3.13Å; R610-E612 PolarHBondContact O-N 2.95Å; R610-S613 WeakPolarHBondContact O-CB 3.33Å; R610-S613 PolarHBondContact O-N 3.08Å; R610-S613 PolarHBondContact O-OG 3.13Å; R610-E614 IonicContact NE-OE1 3.5Å |
| 611 | L | 51.8 | Low | 48 | Very low | 104 Ų | 104 | 123.3 Ų | 123.3 | 55% | 0.545 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -68 | -33.3 | -173.4 | -64.5 | 174 | 0 | 0 | 0 | 113 | N608 S613 E614 Q615 | N608-L611 PolarHBondContact O-N 3.29Å; L611-S613 VanDerWaalsContact C-N 3.28Å; L611-S613 PolarHBondContact O-N 3.32Å; L611-E614 PolarHBondContact O-N 3.41Å; L611-Q615 PolarHBondContact O-N 3.39Å |
| 612 | E | 51.9 | Low | 48.7 | Very low | 149 Ų | 149 | 122.9 Ų | 122.9 | 70% | 0.696 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -63.2 | -33.3 | 174.9 | -63.9 | -173.1 | 139.6 | 0 | 0 | 112.5 | R610 E614 S616 | R610-E612 PolarHBondContact O-N 2.95Å; E612-E614 VanDerWaalsContact C-N 3.34Å; E612-E614 PolarHBondContact O-N 3.29Å; E612-S616 WeakPolarHBondContact O-CB 3.46Å; E612-S616 PolarHBondContact O-N 3.31Å; E612-S616 VanDerWaalsContact O-N 3.14Å |
| 613 | S | 49.7 | Very low | 49 | Very low | 65 Ų | 65 | 122.1 Ų | 122.1 | 46% | 0.455 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -68.5 | -31.4 | 178.8 | 77.8 | 0 | 0 | 0 | 0 | 113.2 | R610 L611 T617 | R610-S613 WeakPolarHBondContact O-CB 3.33Å; R610-S613 PolarHBondContact O-N 3.08Å; R610-S613 PolarHBondContact O-OG 3.13Å; L611-S613 VanDerWaalsContact C-N 3.28Å; L611-S613 PolarHBondContact O-N 3.32Å; S613-T617 PolarHBondContact O-N 3.34Å; S613-T617 PolarHBondContact O-OG1 3.48Å |
| 614 | E | 51.7 | Low | 49.5 | Very low | 104 Ų | 104 | 117.9 Ų | 117.9 | 49% | 0.486 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -81.7 | -32.7 | -179.4 | -65.6 | -177.6 | 175.9 | 0 | 0 | 111.8 | R610 L611 E612 T617 Y618 | R610-E614 IonicContact NE-OE1 3.5Å; L611-E614 PolarHBondContact O-N 3.41Å; E612-E614 VanDerWaalsContact C-N 3.34Å; E612-E614 PolarHBondContact O-N 3.29Å; E614-T617 PolarHBondContact O-OG1 3.2Å; E614-T617 VanDerWaalsContact O-OG1 3.1Å; E614-Y618 PolarHBondContact O-N 3.43Å |
| 615 | Q | 48.2 | Very low | 49.6 | Very low | 146 Ų | 146 | 120 Ų | 120 | 68% | 0.682 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -68.1 | -40 | 169.5 | -71.4 | -164 | 28.4 | 0 | 0 | 112.7 | L611 T617 Y618 L619 | L611-Q615 PolarHBondContact O-N 3.39Å; Q615-T617 VanDerWaalsContact C-N 3.35Å; Q615-T617 PolarHBondContact O-N 2.97Å; Q615-Y618 PolarHBondContact O-N 2.89Å; Q615-L619 PolarHBondContact O-N 3.07Å |
| 616 | S | 50.8 | Low | 50 | Low | 78 Ų | 78 | 121.8 Ų | 121.8 | 55% | 0.545 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -60 | -42.9 | 178.8 | -176 | 0 | 0 | 0 | 0 | 112.3 | E612 H620 | E612-S616 WeakPolarHBondContact O-CB 3.46Å; E612-S616 PolarHBondContact O-N 3.31Å; E612-S616 VanDerWaalsContact O-N 3.14Å; S616-H620 PolarHBondContact O-N 3.4Å |
| 617 | T | 53 | Low | 50.3 | Low | 92 Ų | 92 | 120.1 Ų | 120.1 | 56% | 0.564 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -69.3 | -34.9 | 178.2 | 40.6 | 0 | 0 | 0 | 0 | 113.2 | S613 E614 Q615 H620 Q621 | S613-T617 PolarHBondContact O-N 3.34Å; S613-T617 PolarHBondContact O-OG1 3.48Å; E614-T617 PolarHBondContact O-OG1 3.2Å; E614-T617 VanDerWaalsContact O-OG1 3.1Å; Q615-T617 VanDerWaalsContact C-N 3.35Å; Q615-T617 PolarHBondContact O-N 2.97Å; T617-H620 PolarHBondContact O-N 3.49Å; T617-Q621 PolarHBondContact O-N 2.95Å; T617-Q621 VanDerWaalsContact O-N 3.13Å |
| 618 | Y | 50.1 | Low | 50.3 | Low | 163 Ų | 163 | 122.9 Ų | 122.9 | 64% | 0.639 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -63.4 | -46.4 | 174.3 | -172 | -102.8 | 0 | 0 | 0 | 112.4 | E614 Q615 H620 Q621 V622 | E614-Y618 PolarHBondContact O-N 3.43Å; Q615-Y618 PolarHBondContact O-N 2.89Å; Y618-H620 VanDerWaalsContact C-N 3.28Å; Y618-H620 PolarHBondContact O-N 2.97Å; Y618-Q621 PolarHBondContact O-N 3.14Å; Y618-Q621 VanDerWaalsContact O-N 3.16Å; Y618-V622 HydrophobicContact CD1-CG2 4.46Å; Y618-V622 HydrophobicContact CE1-CG2 4.13Å; Y618-V622 PolarHBondContact O-N 3.06Å; Y618-V622 VanDerWaalsContact O-N 3.14Å |
| 619 | L | 51.3 | Low | 50.6 | Low | 119 Ų | 119 | 129.1 Ų | 129.1 | 62% | 0.623 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -60.5 | -36.4 | 176.1 | -89 | 163.6 | 0 | 0 | 0 | 112.7 | Q615 V622 K623 | Q615-L619 PolarHBondContact O-N 3.07Å; L619-V622 PolarHBondContact O-N 3.33Å; L619-K623 PolarHBondContact O-N 2.8Å |
| 620 | H | 51.1 | Low | 50.6 | Low | 147 Ų | 147 | 123.1 Ų | 123.1 | 68% | 0.681 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -65 | -42 | 175.7 | -143.7 | 137.1 | 0 | 0 | 0 | 111.7 | S616 T617 Y618 V622 K623 G624 | S616-H620 PolarHBondContact O-N 3.4Å; T617-H620 PolarHBondContact O-N 3.49Å; Y618-H620 VanDerWaalsContact C-N 3.28Å; Y618-H620 PolarHBondContact O-N 2.97Å; H620-V622 PolarHBondContact O-N 3.31Å; H620-K623 PolarHBondContact O-N 3.14Å; H620-G624 PolarHBondContact O-N 3.29Å |
| 621 | Q | 50.8 | Low | 50.7 | Low | 129 Ų | 129 | 122.9 Ų | 122.9 | 60% | 0.603 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -66.9 | -34.3 | 179.5 | -169.9 | 172.9 | 92.7 | 0 | 0 | 112.9 | T617 Y618 R625 | T617-Q621 PolarHBondContact O-N 2.95Å; T617-Q621 VanDerWaalsContact O-N 3.13Å; Y618-Q621 PolarHBondContact O-N 3.14Å; Y618-Q621 VanDerWaalsContact O-N 3.16Å; Q621-R625 PolarHBondContact O-N 2.9Å |
| 622 | V | 52.7 | Low | 50.5 | Low | 66 Ų | 66 | 128.6 Ų | 128.6 | 40% | 0.4 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -67 | -44.5 | 173.7 | 176.8 | 0 | 0 | 0 | 0 | 111.1 | Y618 L619 H620 G624 R625 L626 | Y618-V622 HydrophobicContact CD1-CG2 4.46Å; Y618-V622 HydrophobicContact CE1-CG2 4.13Å; Y618-V622 PolarHBondContact O-N 3.06Å; Y618-V622 VanDerWaalsContact O-N 3.14Å; L619-V622 PolarHBondContact O-N 3.33Å; H620-V622 PolarHBondContact O-N 3.31Å; V622-G624 VanDerWaalsContact C-N 3.34Å; V622-G624 PolarHBondContact O-N 3.15Å; V622-R625 PolarHBondContact O-N 3.38Å; V622-L626 HydrophobicContact CG1-CD1 4.37Å; V622-L626 PolarHBondContact O-N 3.04Å |
| 623 | K | 51.1 | Low | 50.4 | Low | 158 Ų | 158 | 127.6 Ų | 127.6 | 69% | 0.687 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -58.8 | -43 | 174.7 | -97.1 | -178.6 | 174 | 177.4 | 0 | 112.5 | L619 H620 R625 L626 V627 | L619-K623 PolarHBondContact O-N 2.8Å; H620-K623 PolarHBondContact O-N 3.14Å; K623-R625 PolarHBondContact O-N 2.92Å; K623-L626 PolarHBondContact O-N 3.4Å; K623-V627 PolarHBondContact O-N 3.37Å |
| 624 | G | 49.8 | Very low | 50.4 | Low | 39 Ų | 39 | 130.9 Ų | 130.9 | 40% | 0.402 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -58.7 | -30.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | H620 V622 | H620-G624 PolarHBondContact O-N 3.29Å; V622-G624 VanDerWaalsContact C-N 3.34Å; V622-G624 PolarHBondContact O-N 3.15Å |
| 625 | R | 49.1 | Very low | 50.4 | Low | 186 Ų | 186 | 132.4 Ų | 132.4 | 70% | 0.702 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -83.8 | -22.3 | 177.7 | -71.3 | -170.8 | 175.4 | -156.5 | -0.4 | 114.5 | Q621 V622 K623 | Q621-R625 PolarHBondContact O-N 2.9Å; V622-R625 PolarHBondContact O-N 3.38Å; K623-R625 PolarHBondContact O-N 2.92Å |
| 626 | L | 50.9 | Low | 50.5 | Low | 125 Ų | 125 | 131.6 Ų | 131.6 | 65% | 0.654 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -71.1 | -35.6 | 171.5 | -95.6 | 69.1 | 0 | 0 | 0 | 111.7 | V622 K623 I628 R629 | V622-L626 HydrophobicContact CG1-CD1 4.37Å; V622-L626 PolarHBondContact O-N 3.04Å; K623-L626 PolarHBondContact O-N 3.4Å; L626-I628 VanDerWaalsContact C-N 3.34Å; L626-I628 PolarHBondContact O-N 3.33Å; L626-R629 PolarHBondContact O-N 3.44Å; L626-R629 VanDerWaalsContact O-N 3.13Å |
| 627 | V | 52.4 | Low | 50.5 | Low | 102 Ų | 102 | 134.9 Ų | 134.9 | 62% | 0.618 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -61.8 | -39.3 | 179.5 | 175.4 | 0 | 0 | 0 | 0 | 112.3 | K623 R629 A630 | K623-V627 PolarHBondContact O-N 3.37Å; V627-R629 PolarHBondContact O-N 3.04Å; V627-A630 PolarHBondContact O-N 3.43Å |
| 628 | I | 47.9 | Very low | 50.3 | Low | 128 Ų | 128 | 137.8 Ų | 137.8 | 66% | 0.656 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -69.2 | -23.8 | 178.7 | -61.3 | 174.9 | 0 | 0 | 0 | 111.7 | L626 A630 | L626-I628 VanDerWaalsContact C-N 3.34Å; L626-I628 PolarHBondContact O-N 3.33Å; I628-A630 PolarHBondContact O-N 3.13Å |
| 629 | R | 48.5 | Very low | 50.3 | Low | 229 Ų | 229 | 136 Ų | 136 | 86% | 0.864 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | 13.9 | 177.9 | -148.8 | -178.9 | -176.9 | -179.3 | 0.4 | 113.7 | L626 V627 | L626-R629 PolarHBondContact O-N 3.44Å; L626-R629 VanDerWaalsContact O-N 3.13Å; V627-R629 PolarHBondContact O-N 3.04Å |
| 630 | A | 51.7 | Low | 50.3 | Low | 82 Ų | 82 | 137.3 Ų | 137.3 | 68% | 0.678 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.4 | 16.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | V627 I628 | V627-A630 PolarHBondContact O-N 3.43Å; I628-A630 PolarHBondContact O-N 3.13Å |
| 631 | M | 49.9 | Very low | 50.2 | Low | 170 Ų | 170 | 136.5 Ų | 136.5 | 84% | 0.837 | 69% | 0.688 | S | S | * | * | trans | -130.8 | 26.9 | 178.5 | -70.2 | -166 | 69.2 | 0 | 0 | 113.4 | ||||
| 632 | I | 47.7 | Very low | 50.1 | Low | 224 Ų | 224 | 137.2 Ų | 137.2 | 100% | 1.149 | 70% | 0.695 | S | S | * | * | trans | -140.6 | 0 | 169.6 | -50.6 | 179.7 | 0 | 0 | 0 | 107.7 |
Retrieved 632 of 632 residues in 134.5 ms
(Link to these results)