| 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 | 39.8 | Very low | 46 | Very low | 238 Ų | 238 | 156 Ų | 156 | 100% | 1.172 | 85% | 0.85 | S | S | * | * | 0 | 86.2 | 0 | -65.2 | 158.5 | 179.4 | 0 | 0 | 104.9 | |||||
| 2 | A | 40.8 | Very low | 45.8 | Very low | 92 Ų | 92 | 149.2 Ų | 149.2 | 76% | 0.76 | 84% | 0.843 | S | S | * | * | cis | 72.9 | 152.6 | 31.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 3 | E | 48.4 | Very low | 45.5 | Very low | 182 Ų | 182 | 150.8 Ų | 150.8 | 85% | 0.85 | 84% | 0.839 | S | S | * | * | trans | 67.7 | 107.2 | -157.5 | -55.6 | 179.1 | 168 | 0 | 0 | 111.5 | ||||
| 4 | L | 46.5 | Very low | 45.2 | Very low | 142 Ų | 142 | 152.3 Ų | 152.3 | 74% | 0.743 | 84% | 0.842 | S | S | * | * | cis | 66.9 | 97.3 | 5.1 | -151.7 | 127.4 | 0 | 0 | 0 | 115 | D6 | L4-D6 WeakPolarHBondContact CD2-OD2 3.25Š| ||
| 5 | M | 54.4 | Low | 45 | Very low | 183 Ų | 183 | 149.3 Ų | 149.3 | 90% | 0.901 | 84% | 0.836 | S | S | * | * | trans | -124.3 | 96.6 | 166.9 | -81.7 | -175.6 | 159.4 | 0 | 0 | 108.4 | ||||
| 6 | D | 44.1 | Very low | 44.5 | Very low | 138 Ų | 138 | 145 Ų | 145 | 74% | 0.738 | 84% | 0.836 | S | S | * | * | trans | -78.4 | 127.3 | 166.3 | -77.3 | -59.9 | 0 | 0 | 0 | 109.3 | L4 D8 | L4-D6 WeakPolarHBondContact CD2-OD2 3.25Å; D6-D8 PolarHBondContact O-N 3.29Å | ||
| 7 | G | 47.1 | Very low | 44.5 | Very low | 74 Ų | 74 | 144 Ų | 144 | 76% | 0.763 | 84% | 0.839 | S | S | * | * | trans | -91.1 | 80.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | L9 | G7-L9 PolarHBondContact O-N 3.03Š| ||
| 8 | D | 39.7 | Very low | 44 | Very low | 163 Ų | 163 | 140.3 Ų | 140.3 | 87% | 0.872 | 84% | 0.837 | S | S | * | * | trans | -63 | 127.5 | -179.6 | -150.6 | -1.2 | 0 | 0 | 0 | 110.6 | D6 | D6-D8 PolarHBondContact O-N 3.29Š| ||
| 9 | L | 53.3 | Low | 43.8 | Very low | 161 Ų | 161 | 139.1 Ų | 139.1 | 84% | 0.843 | 84% | 0.836 | S | S | * | * | trans | -121.4 | 82.9 | -171 | -113.5 | 171.7 | 0 | 0 | 0 | 110.6 | G7 D11 | G7-L9 PolarHBondContact O-N 3.03Å; L9-D11 PolarHBondContact O-N 3.24Å | ||
| 10 | E | 45.8 | Very low | 43.5 | Very low | 187 Ų | 187 | 139 Ų | 139 | 87% | 0.874 | 83% | 0.831 | S | S | * | * | trans | -27.8 | 112.4 | 178.8 | -167.2 | 173.9 | -164.8 | 0 | 0 | 115.5 | G12 | E10-G12 PolarHBondContact O-N 2.99Š| ||
| 11 | D | 46.1 | Very low | 43.5 | Very low | 156 Ų | 156 | 138.1 Ų | 138.1 | 83% | 0.834 | 83% | 0.832 | S | S | * | * | trans | -73.8 | 109.9 | 172.6 | -101 | -43.1 | 0 | 0 | 0 | 110.5 | L9 E13 | L9-D11 PolarHBondContact O-N 3.24Å; D11-E13 PolarHBondContact O-N 2.83Å | ||
| 12 | G | 44.2 | Very low | 43.5 | Very low | 74 Ų | 74 | 135.1 Ų | 135.1 | 76% | 0.763 | 82% | 0.815 | S | S | * | * | trans | -72.1 | 88.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | E10 | E10-G12 PolarHBondContact O-N 2.99Š| ||
| 13 | E | 41.6 | Very low | 43.4 | Very low | 170 Ų | 170 | 139.2 Ų | 139.2 | 79% | 0.794 | 82% | 0.822 | S | S | * | * | trans | -62 | 138.4 | 172.8 | -62.4 | -162.5 | 128.1 | 0 | 0 | 112.7 | D11 | D11-E13 PolarHBondContact O-N 2.83Š| ||
| 14 | I | 40.8 | Very low | 42.6 | Very low | 172 Ų | 172 | 134 Ų | 134 | 88% | 0.882 | 82% | 0.817 | S | S | * | * | trans | -134.3 | 77.5 | 164.6 | 48.5 | 163.1 | 0 | 0 | 0 | 110.9 | ||||
| 15 | S | 42.1 | Very low | 41.8 | Very low | 108 Ų | 108 | 130.8 Ų | 130.8 | 76% | 0.755 | 82% | 0.818 | S | S | * | * | trans | -89.2 | 133 | 174.5 | -76.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 16 | G | 37 | Very low | 40.8 | Very low | 80 Ų | 80 | 128.7 Ų | 128.7 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | trans | 68.1 | 108.1 | 147.1 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 17 | S | 45 | Very low | 40.1 | Very low | 128 Ų | 128 | 126.6 Ų | 126.6 | 90% | 0.895 | 82% | 0.817 | S | S | * | * | trans | -146 | 118.5 | 133.2 | -169 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 18 | G | 35.7 | Very low | 39.5 | Very low | 78 Ų | 78 | 127.5 Ų | 127.5 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | trans | -117.8 | 144.2 | 168.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 19 | S | 40.1 | Very low | 39 | Very low | 116 Ų | 116 | 128.3 Ų | 128.3 | 81% | 0.811 | 82% | 0.816 | S | S | * | * | trans | -130.1 | 107.5 | 173.4 | 60.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 20 | D | 37.8 | Very low | 38.3 | Very low | 137 Ų | 137 | 128.9 Ų | 128.9 | 73% | 0.733 | 82% | 0.815 | S | S | * | * | trans | -76.8 | 153.4 | 164.9 | -159.9 | -64.2 | 0 | 0 | 0 | 109.7 | E22 | D20-E22 PolarHBondContact OD1-N 3.39Š| ||
| 21 | S | 44.1 | Very low | 37.6 | Very low | 122 Ų | 122 | 124.5 Ų | 124.5 | 85% | 0.853 | 81% | 0.81 | S | S | * | * | trans | -168.1 | 74.3 | 166.7 | -78.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 22 | E | 39.1 | Very low | 36.9 | Very low | 174 Ų | 174 | 128.8 Ų | 128.8 | 81% | 0.813 | 82% | 0.815 | S | S | * | * | trans | -71.6 | 136.2 | 159.5 | -66.8 | -162.3 | 113.2 | 0 | 0 | 112.3 | D20 | D20-E22 PolarHBondContact OD1-N 3.39Š| ||
| 23 | I | 39 | Very low | 36.4 | Very low | 179 Ų | 179 | 129 Ų | 129 | 92% | 0.918 | 81% | 0.809 | S | S | * | * | trans | -174.9 | 143.3 | 157.7 | -99.7 | 149.2 | 0 | 0 | 0 | 107.7 | ||||
| 24 | G | 30.7 | Very low | 35.9 | Very low | 71 Ų | 71 | 133 Ų | 133 | 73% | 0.732 | 82% | 0.817 | S | S | * | * | cis | 156.5 | 90 | -7.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 25 | G | 31.1 | Very low | 35.4 | Very low | 75 Ų | 75 | 128.3 Ų | 128.3 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | trans | 91.1 | 164.3 | 167.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 26 | T | 31.8 | Very low | 35 | Very low | 140 Ų | 140 | 132 Ų | 132 | 86% | 0.859 | 82% | 0.821 | S | S | * | * | cis | -160 | 164.5 | -2.7 | 49 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 27 | A | 30.3 | Very low | 34.7 | Very low | 93 Ų | 93 | 133.7 Ų | 133.7 | 77% | 0.769 | 82% | 0.821 | S | S | * | * | trans | 70.9 | 131.9 | 166.3 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 28 | A | 33.3 | Very low | 34.4 | Very low | 93 Ų | 93 | 131.8 Ų | 131.8 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | cis | 86.5 | 143.6 | 47.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 29 | E | 31.1 | Very low | 34.1 | Very low | 180 Ų | 180 | 137.7 Ų | 137.7 | 84% | 0.841 | 82% | 0.817 | S | S | * | * | cis | -144.1 | -147.2 | 12.3 | -151.4 | 171.2 | 114.1 | 0 | 0 | 114.1 | ||||
| 30 | Q | 36.6 | Very low | 33.7 | Very low | 173 Ų | 173 | 137.4 Ų | 137.4 | 81% | 0.808 | 82% | 0.815 | S | S | * | * | trans | -122.8 | 149.1 | -157.3 | -52.4 | 168.6 | 25.8 | 0 | 0 | 115.5 | ||||
| 31 | A | 32.8 | Very low | 33.5 | Very low | 95 Ų | 95 | 134.1 Ų | 134.1 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | trans | 178.9 | 136.3 | 142.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 32 | R | 31.2 | Very low | 33 | Very low | 246 Ų | 246 | 136.3 Ų | 136.3 | 93% | 0.928 | 82% | 0.816 | S | S | * | * | cis | 60.1 | 136.6 | 47.8 | -78.1 | -169 | 163.7 | 177.6 | -2.3 | 115.1 | ||||
| 33 | A | 32.3 | Very low | 32.7 | Very low | 78 Ų | 78 | 132 Ų | 132 | 65% | 0.645 | 81% | 0.805 | S | S | * | * | cis | -172.7 | 165.3 | -19.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 34 | R | 32.4 | Very low | 32.4 | Very low | 255 Ų | 255 | 132.7 Ų | 132.7 | 96% | 0.962 | 80% | 0.802 | S | S | * | * | trans | 71.9 | 159.1 | 166.7 | -61.6 | 172.8 | 172.6 | 174 | -4.4 | 115.6 | ||||
| 35 | G | 29.1 | Very low | 33.2 | Very low | 74 Ų | 74 | 136.9 Ų | 136.9 | 76% | 0.763 | 80% | 0.802 | S | S | * | * | cis | -154.1 | -172.6 | 8.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 36 | L | 34.5 | Very low | 33.1 | Very low | 184 Ų | 184 | 143 Ų | 143 | 96% | 0.963 | 81% | 0.81 | S | S | * | * | trans | -87.5 | 155.7 | -171.2 | -62.3 | 162.8 | 0 | 0 | 0 | 113.1 | ||||
| 37 | S | 31.6 | Very low | 33 | Very low | 117 Ų | 117 | 147.4 Ų | 147.4 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | -152.2 | 143.2 | 147.9 | -169.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 38 | A | 37.4 | Very low | 33.9 | Very low | 88 Ų | 88 | 147.8 Ų | 147.8 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | trans | -146.2 | 147.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 39 | F | 29.3 | Very low | 33.8 | Very low | 202 Ų | 202 | 147.4 Ų | 147.4 | 89% | 0.886 | 80% | 0.803 | S | S | * | * | trans | -152.8 | 161.4 | 169.7 | -111.7 | -77.3 | 0 | 0 | 0 | 112.7 | ||||
| 40 | S | 32.3 | Very low | 33.9 | Very low | 109 Ų | 109 | 145.3 Ų | 145.3 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | trans | -58.5 | 165.4 | -176 | -40.9 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 41 | G | 32.7 | Very low | 33.7 | Very low | 69 Ų | 69 | 142.6 Ų | 142.6 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | cis | 114.9 | 89.7 | -0.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 42 | D | 33.3 | Very low | 33.6 | Very low | 167 Ų | 167 | 145.6 Ų | 145.6 | 89% | 0.893 | 80% | 0.8 | S | S | * | * | trans | -174.4 | -176.6 | 155.2 | -114.7 | -14.2 | 0 | 0 | 0 | 109.6 | ||||
| 43 | S | 33.7 | Very low | 33.6 | Very low | 85 Ų | 85 | 142.1 Ų | 142.1 | 59% | 0.594 | 79% | 0.794 | S | S | * | * | -172 | 174.7 | -73.7 | -169.3 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 44 | F | 31.9 | Very low | 35 | Very low | 192 Ų | 192 | 143.3 Ų | 143.3 | 84% | 0.842 | 80% | 0.795 | S | S | * | * | trans | 59.3 | 147.5 | 171 | -84.6 | -79.5 | 0 | 0 | 0 | 121.7 | ||||
| 45 | Q | 47.3 | Very low | 36.2 | Very low | 160 Ų | 160 | 136.8 Ų | 136.8 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | trans | -93.7 | 163.9 | -166.1 | -50.4 | 157.6 | 15.1 | 0 | 0 | 111.5 | ||||
| 46 | H | 29.2 | Very low | 36.6 | Very low | 203 Ų | 203 | 137.7 Ų | 137.7 | 94% | 0.94 | 79% | 0.786 | S | S | * | * | trans | -159.4 | 161.6 | 134.9 | -97.4 | -65.7 | 0 | 0 | 0 | 112.4 | ||||
| 47 | R | 29.5 | Very low | 36.6 | Very low | 232 Ų | 232 | 134 Ų | 134 | 88% | 0.875 | 78% | 0.783 | S | S | * | * | trans | -136.9 | 177.8 | -177.8 | -135.9 | -165.1 | 164.1 | -167.5 | -2 | 106 | ||||
| 48 | P | 51.1 | Low | 36.8 | Very low | 102 Ų | 102 | 132.7 Ų | 132.7 | 66% | 0.662 | 78% | 0.779 | S | S | * | * | cis | -144.8 | -162.5 | 2 | 42.8 | -21 | 0 | 0 | 0 | 116.6 | ||||
| 49 | A | 31 | Very low | 36.6 | Very low | 85 Ų | 85 | 138.3 Ų | 138.3 | 70% | 0.702 | 78% | 0.783 | S | S | * | * | trans | 76.3 | 153.4 | 149.5 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 50 | T | 32.4 | Very low | 37.3 | Very low | 135 Ų | 135 | 139.1 Ų | 139.1 | 83% | 0.828 | 78% | 0.78 | S | S | * | * | cis | -170.7 | 160.7 | -10.4 | 21.2 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 51 | V | 33.2 | Very low | 37.4 | Very low | 117 Ų | 117 | 139.7 Ų | 139.7 | 71% | 0.709 | 78% | 0.784 | S | S | * | * | cis | -166.2 | 157.8 | -11.1 | 66 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 52 | N | 30.8 | Very low | 37.6 | Very low | 157 Ų | 157 | 142.4 Ų | 142.4 | 84% | 0.84 | 79% | 0.792 | S | S | * | * | trans | -172.1 | 145.9 | 137 | -104.6 | -24.2 | 0 | 0 | 0 | 114.7 | ||||
| 53 | Q | 31.1 | Very low | 37.7 | Very low | 173 Ų | 173 | 139 Ų | 139 | 81% | 0.808 | 79% | 0.788 | S | S | * | * | trans | -172.4 | -175.5 | -178.2 | -124.1 | -166.6 | 20.1 | 0 | 0 | 105.9 | ||||
| 54 | P | 60.2 | Low | 37.7 | Very low | 103 Ų | 103 | 145 Ų | 145 | 67% | 0.669 | 80% | 0.803 | S | S | * | * | cis | -121 | -129.2 | -22.8 | 27.8 | -1.9 | 0 | 0 | 0 | 106.5 | ||||
| 55 | P | 58.9 | Low | 37.6 | Very low | 119 Ų | 119 | 140.9 Ų | 140.9 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | cis | -129.1 | -162.7 | -23.5 | 46.9 | -29.4 | 0 | 0 | 0 | 111.4 | ||||
| 56 | A | 36.8 | Very low | 37.1 | Very low | 92 Ų | 92 | 137.4 Ų | 137.4 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | cis | -153.2 | 149 | 1.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 57 | A | 34 | Very low | 37.2 | Very low | 107 Ų | 107 | 136.4 Ų | 136.4 | 88% | 0.884 | 80% | 0.798 | S | S | * | * | trans | 164.5 | 116 | 132.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 58 | A | 36 | Very low | 37.5 | Very low | 90 Ų | 90 | 131.1 Ų | 131.1 | 74% | 0.744 | 80% | 0.797 | S | S | * | * | trans | -134.6 | 151.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 59 | Y | 33.8 | Very low | 37.1 | Very low | 206 Ų | 206 | 131.6 Ų | 131.6 | 81% | 0.808 | 80% | 0.803 | S | S | * | * | trans | -153.7 | 127 | 156.8 | -110.3 | -63.2 | 0 | 0 | 0 | 114.4 | ||||
| 60 | R | 44.7 | Very low | 37.3 | Very low | 218 Ų | 218 | 135 Ų | 135 | 82% | 0.823 | 81% | 0.809 | S | S | * | * | trans | 56.5 | 102.1 | 158.9 | -78 | 153.9 | -160.5 | -75 | -1.3 | 119.2 | ||||
| 61 | S | 34.3 | Very low | 37.6 | Very low | 122 Ų | 122 | 133.1 Ų | 133.1 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | trans | -81.8 | 156.3 | 153.7 | 0.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 62 | S | 36.8 | Very low | 37.7 | Very low | 126 Ų | 126 | 135 Ų | 135 | 88% | 0.881 | 81% | 0.808 | S | S | * | * | trans | -141.3 | 156.5 | 143.4 | 69.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 63 | A | 35.5 | Very low | 38.1 | Very low | 96 Ų | 96 | 132.5 Ų | 132.5 | 79% | 0.793 | 81% | 0.809 | S | S | * | * | trans | -126.9 | 147.9 | -163.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 64 | K | 32.1 | Very low | 38.3 | Very low | 211 Ų | 211 | 131.6 Ų | 131.6 | 92% | 0.917 | 81% | 0.809 | S | S | * | * | trans | -162.3 | 159.5 | 132.2 | -107.4 | 165.3 | -174.6 | -177.1 | 0 | 110.4 | ||||
| 65 | A | 30.8 | Very low | 37.2 | Very low | 104 Ų | 104 | 131.3 Ų | 131.3 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | trans | -93.6 | 150.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 66 | A | 37.2 | Very low | 36.4 | Very low | 88 Ų | 88 | 131.1 Ų | 131.1 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | trans | -153.7 | 144.4 | 154.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 67 | E | 31.2 | Very low | 36.5 | Very low | 182 Ų | 182 | 133.3 Ų | 133.3 | 85% | 0.85 | 81% | 0.81 | S | S | * | * | trans | -62.1 | 142.7 | 177.3 | 50.9 | -99.6 | 65.1 | 0 | 0 | 115.2 | ||||
| 68 | S | 36.5 | Very low | 36.8 | Very low | 121 Ų | 121 | 137.3 Ų | 137.3 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | 166.1 | 157.1 | 115.4 | -165.5 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 69 | S | 42.3 | Very low | 37.3 | Very low | 112 Ų | 112 | 140.5 Ų | 140.5 | 78% | 0.783 | 81% | 0.81 | S | S | * | * | trans | -102.7 | 141.4 | 170 | -169.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 70 | D | 35.2 | Very low | 37.9 | Very low | 155 Ų | 155 | 135.4 Ų | 135.4 | 83% | 0.829 | 81% | 0.811 | S | S | * | * | trans | -150.1 | 130.1 | 171.8 | -164.9 | 2.6 | 0 | 0 | 0 | 110.4 | ||||
| 71 | S | 38.4 | Very low | 38 | Very low | 97 Ų | 97 | 129.3 Ų | 129.3 | 68% | 0.678 | 81% | 0.807 | S | S | * | * | trans | -168.1 | 122.4 | 175.1 | -66.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 72 | D | 34.8 | Very low | 38.4 | Very low | 157 Ų | 157 | 128.9 Ų | 128.9 | 84% | 0.84 | 80% | 0.799 | S | S | * | * | trans | 77.2 | 116 | 152 | -55.6 | -40.2 | 0 | 0 | 0 | 123.5 | ||||
| 73 | A | 40.5 | Very low | 38.4 | Very low | 103 Ų | 103 | 134.1 Ų | 134.1 | 85% | 0.851 | 80% | 0.799 | S | S | * | * | trans | 68.1 | 146.4 | 147.4 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 74 | D | 34.9 | Very low | 38.7 | Very low | 154 Ų | 154 | 141.1 Ų | 141.1 | 82% | 0.824 | 81% | 0.806 | S | S | * | * | cis | -156.3 | 161.8 | 20.5 | -173 | 29.8 | 0 | 0 | 0 | 114.2 | ||||
| 75 | S | 37.6 | Very low | 39.5 | Very low | 97 Ų | 97 | 143.3 Ų | 143.3 | 68% | 0.678 | 81% | 0.808 | S | S | * | * | trans | 45.3 | 121.9 | 150.8 | -165 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 76 | S | 41.8 | Very low | 39.9 | Very low | 116 Ų | 116 | 147.9 Ų | 147.9 | 81% | 0.811 | 81% | 0.809 | S | S | * | * | -179.9 | 145.3 | 105.3 | -171.4 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 77 | D | 38.8 | Very low | 40.3 | Very low | 138 Ų | 138 | 155 Ų | 155 | 74% | 0.738 | 82% | 0.816 | S | S | * | * | trans | -109.2 | 134.4 | -179.5 | 167.8 | 39.4 | 0 | 0 | 0 | 112.9 | ||||
| 78 | E | 40.7 | Very low | 40.7 | Very low | 191 Ų | 191 | 153.4 Ų | 153.4 | 89% | 0.893 | 81% | 0.813 | S | S | * | * | trans | -163.3 | 60.7 | 153.9 | 57.7 | 171 | 167.2 | 0 | 0 | 115.2 | ||||
| 79 | E | 44.7 | Very low | 40.9 | Very low | 156 Ų | 156 | 156.8 Ų | 156.8 | 73% | 0.729 | 81% | 0.812 | S | S | * | * | trans | -122.3 | 54.2 | 176 | -122.5 | -74 | 86.4 | 0 | 0 | 114.1 | ||||
| 80 | A | 47 | Very low | 40.6 | Very low | 99 Ų | 99 | 157.5 Ų | 157.5 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | -119.4 | 49.7 | -168.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 81 | A | 46.8 | Very low | 40.7 | Very low | 90 Ų | 90 | 155 Ų | 155 | 74% | 0.744 | 81% | 0.806 | S | S | * | * | trans | -140.4 | -17.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 118.9 | W83 | A81-W83 PolarHBondContact O-N 2.95Å; A81-W83 VanDerWaalsContact O-N 3.12Å | ||
| 82 | V | 43.2 | Very low | 40.5 | Very low | 113 Ų | 113 | 158.6 Ų | 158.6 | 69% | 0.685 | 82% | 0.818 | S | S | * | * | trans | -93.9 | 49 | -157.4 | -158.6 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 83 | W | 36.9 | Very low | 40.8 | Very low | 236 Ų | 236 | 155.6 Ų | 155.6 | 89% | 0.894 | 82% | 0.815 | S | S | * | * | trans | -120 | 45.4 | -172.8 | -78.6 | 82.2 | 0 | 0 | 0 | 117.1 | A81 | A81-W83 PolarHBondContact O-N 2.95Å; A81-W83 VanDerWaalsContact O-N 3.12Å | ||
| 84 | R | 41.8 | Very low | 40.8 | Very low | 244 Ų | 244 | 156.4 Ų | 156.4 | 92% | 0.921 | 81% | 0.811 | S | S | * | * | trans | -140.4 | 60.2 | 167.4 | -67.8 | -62.9 | 175.9 | -163.7 | -2.6 | 115.2 | K86 | R84-K86 PolarHBondContact O-N 2.84Å; R84-K86 VanDerWaalsContact O-N 3.15Å | ||
| 85 | R | 49.3 | Very low | 41.2 | Very low | 256 Ų | 256 | 155 Ų | 155 | 97% | 0.966 | 81% | 0.811 | S | S | * | * | trans | -71.4 | 105.3 | 162.8 | -92.8 | -168 | -77.7 | -176.6 | -4.9 | 110.8 | R87 | R85-R87 PolarHBondContact O-N 3.08Š| ||
| 86 | K | 39.5 | Very low | 41.4 | Very low | 201 Ų | 201 | 156.3 Ų | 156.3 | 87% | 0.874 | 82% | 0.817 | S | S | * | * | trans | -66.1 | 115.4 | 174.4 | -174.5 | 171.3 | 179.9 | 176.2 | 0 | 109.5 | R84 L88 | R84-K86 PolarHBondContact O-N 2.84Å; R84-K86 VanDerWaalsContact O-N 3.15Å; K86-L88 PolarHBondContact O-N 3.35Å | ||
| 87 | R | 45.2 | Very low | 41 | Very low | 237 Ų | 237 | 156 Ų | 156 | 89% | 0.894 | 82% | 0.821 | S | S | * | * | trans | -67.2 | 99.9 | -179.2 | -173.4 | -171 | -66.4 | -96.8 | 5.2 | 110.2 | R85 K89 | R85-R87 PolarHBondContact O-N 3.08Å; R87-K89 PolarHBondContact O-N 3.5Å | ||
| 88 | L | 39.2 | Very low | 40.8 | Very low | 148 Ų | 148 | 153.6 Ų | 153.6 | 78% | 0.775 | 82% | 0.821 | S | S | * | * | trans | -69 | 125.7 | 173.3 | -160 | 71.5 | 0 | 0 | 0 | 109.3 | K86 V90 | K86-L88 PolarHBondContact O-N 3.35Å; L88-V90 PolarHBondContact O-N 3.33Å | ||
| 89 | K | 39.9 | Very low | 40.3 | Very low | 192 Ų | 192 | 150.4 Ų | 150.4 | 84% | 0.835 | 82% | 0.818 | S | S | * | * | trans | -86.5 | 90.7 | 179.7 | -176.3 | 106.7 | 173.5 | -172.7 | 0 | 108.8 | R87 | R87-K89 PolarHBondContact O-N 3.5Š| ||
| 90 | V | 35.7 | Very low | 40.2 | Very low | 128 Ų | 128 | 149.1 Ų | 149.1 | 78% | 0.776 | 82% | 0.823 | S | S | * | * | trans | -80.1 | 125.5 | 170 | -71.1 | 0 | 0 | 0 | 0 | 110 | L88 | L88-V90 PolarHBondContact O-N 3.33Š| ||
| 91 | S | 37.8 | Very low | 39.6 | Very low | 102 Ų | 102 | 148.6 Ų | 148.6 | 71% | 0.713 | 82% | 0.819 | S | S | * | * | trans | -100.6 | 102.9 | 178.8 | -62.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 92 | N | 34.4 | Very low | 39 | Very low | 173 Ų | 173 | 156.2 Ų | 156.2 | 93% | 0.925 | 83% | 0.828 | S | S | * | * | trans | -167.2 | 113.9 | 154.4 | -106.6 | -16.7 | 0 | 0 | 0 | 111 | ||||
| 93 | A | 41.3 | Very low | 38.6 | Very low | 93 Ų | 93 | 161 Ų | 161 | 77% | 0.769 | 84% | 0.84 | S | S | * | * | trans | -153.6 | 135.4 | 164.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 94 | P | 40.8 | Very low | 38.7 | Very low | 120 Ų | 120 | 152.9 Ų | 152.9 | 78% | 0.779 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 154.9 | -177.4 | 30.7 | -35.2 | 0 | 0 | 0 | 112.2 | ||
| 95 | P | 43.6 | Very low | 38.9 | Very low | 124 Ų | 124 | 147.1 Ų | 147.1 | 81% | 0.805 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 135.6 | -176.2 | 32 | -34.5 | 0 | 0 | 0 | 113.1 | ||
| 96 | P | 41.5 | Very low | 38.7 | Very low | 126 Ų | 126 | 140.6 Ų | 140.6 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 165.5 | 160.9 | 33.6 | -32.8 | 0 | 0 | 0 | 112 | ||
| 97 | A | 33.4 | Very low | 38.8 | Very low | 109 Ų | 109 | 136.7 Ų | 136.7 | 90% | 0.901 | 81% | 0.81 | S | S | * | * | trans | -81.4 | -177.8 | -169.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 98 | A | 34.3 | Very low | 38.5 | Very low | 87 Ų | 87 | 132.3 Ų | 132.3 | 72% | 0.719 | 81% | 0.81 | S | S | * | * | trans | -106.3 | 150.8 | -153.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 99 | C | 30.9 | Very low | 38.3 | Very low | 125 Ų | 125 | 131.3 Ų | 131.3 | 85% | 0.845 | 82% | 0.815 | S | S | * | * | trans | 69.2 | 164 | 151 | -69.8 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 100 | P | 41.4 | Very low | 37.9 | Very low | 129 Ų | 129 | 126.8 Ų | 126.8 | 84% | 0.838 | 81% | 0.813 | S | S | * | * | cis | -117.7 | -175.5 | 1.7 | 40.7 | -27.6 | 0 | 0 | 0 | 115 | ||||
| 101 | A | 35.9 | Very low | 37.8 | Very low | 87 Ų | 87 | 127.1 Ų | 127.1 | 72% | 0.719 | 82% | 0.82 | S | S | * | * | trans | -88.7 | 163.7 | -167.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 102 | R | 32.9 | Very low | 38.1 | Very low | 250 Ų | 250 | 126.1 Ų | 126.1 | 94% | 0.943 | 83% | 0.826 | S | S | * | * | trans | -144.3 | 145.1 | 152.1 | -109.1 | -177.2 | 178.4 | -164.7 | -1.8 | 110.8 | ||||
| 103 | F | 35.1 | Very low | 38.1 | Very low | 214 Ų | 214 | 122.3 Ų | 122.3 | 94% | 0.939 | 82% | 0.818 | S | S | * | * | trans | -92.7 | 150.7 | -177.8 | -70 | -102.1 | 0 | 0 | 0 | 111.9 | ||||
| 104 | G | 38.3 | Very low | 38.5 | Very low | 66 Ų | 66 | 124.7 Ų | 124.7 | 68% | 0.68 | 83% | 0.826 | S | S | * | * | trans | -175.3 | 139.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 105 | P | 47.1 | Very low | 39 | Very low | 122 Ų | 122 | 122.3 Ų | 122.3 | 79% | 0.792 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -79 | 156.6 | 179.5 | 32.8 | -35.2 | 0 | 0 | 0 | 112.4 | ||
| 106 | P | 44 | Very low | 39 | Very low | 119 Ų | 119 | 122.1 Ų | 122.1 | 77% | 0.773 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 136.7 | 179.1 | 31.1 | -34.2 | 0 | 0 | 0 | 112 | ||
| 107 | P | 41.7 | Very low | 39.8 | Very low | 120 Ų | 120 | 127.5 Ų | 127.5 | 78% | 0.779 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 143.6 | 168.7 | 31.7 | -33.4 | 0 | 0 | 0 | 111 | ||
| 108 | V | 39.9 | Very low | 41.3 | Very low | 145 Ų | 145 | 130.3 Ų | 130.3 | 88% | 0.879 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 131.1 | 170.8 | -71.1 | 0 | 0 | 0 | 0 | 110.7 | A110 | V108-A110 PolarHBondContact O-N 3.47Š|
| 109 | S | 33.8 | Very low | 42.6 | Very low | 127 Ų | 127 | 132.6 Ų | 132.6 | 89% | 0.888 | 83% | 0.825 | S | S | * | * | trans | -86.6 | 105.1 | 175.1 | -68.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 110 | A | 33 | Very low | 44.1 | Very low | 97 Ų | 97 | 133 Ų | 133 | 80% | 0.802 | 82% | 0.819 | S | S | * | * | trans | -76.7 | 172.7 | 167.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | V108 | V108-A110 PolarHBondContact O-N 3.47Š| ||
| 111 | C | 33.3 | Very low | 45.6 | Very low | 134 Ų | 134 | 131 Ų | 131 | 91% | 0.905 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -67.6 | 146.1 | -166.9 | -58.4 | 0 | 0 | 0 | 0 | 115.6 | ||
| 112 | G | 43.7 | Very low | 47.5 | Very low | 82 Ų | 82 | 131.2 Ų | 131.2 | 85% | 0.845 | 79% | 0.789 | S | S | * | * | trans | 68.2 | 92.7 | 131.6 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 113 | A | 35.2 | Very low | 49.2 | Very low | 92 Ų | 92 | 130 Ų | 130 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | trans | -146.5 | 143.7 | 153.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | G115 | A113-G115 PolarHBondContact O-N 2.7Š| ||
| 114 | P | 49 | Very low | 51.2 | Low | 143 Ų | 143 | 121.2 Ų | 121.2 | 93% | 0.929 | 76% | 0.755 | S | S | * | * | trans | -80.5 | 110.8 | -176.7 | 31 | -33.1 | 0 | 0 | 0 | 111.5 | ||||
| 115 | G | 51 | Low | 53.1 | Low | 70 Ų | 70 | 121.1 Ų | 121.1 | 72% | 0.722 | 74% | 0.744 | S | S | * | * | trans | -153.4 | 2.7 | -171.6 | 0 | 0 | 0 | 0 | 0 | 118.5 | A113 R117 | A113-G115 PolarHBondContact O-N 2.7Å; G115-R117 PolarHBondContact O-N 2.61Å | ||
| 116 | S | 42.8 | Very low | 54.7 | Low | 120 Ų | 120 | 118 Ų | 118 | 84% | 0.839 | 72% | 0.723 | S | S | * | * | trans | -82.1 | 102.3 | 175.7 | 46.7 | 0 | 0 | 0 | 0 | 111.1 | K118 | S116-K118 PolarHBondContact O-N 2.77Š| ||
| 117 | R | 58.6 | Low | 56.4 | Low | 240 Ų | 240 | 116.3 Ų | 116.3 | 91% | 0.906 | 71% | 0.709 | S | S | * | * | trans | -58.8 | 103.1 | 176.3 | -73.1 | -177.3 | -73.2 | -176.6 | -3.1 | 110.6 | G115 V119 | G115-R117 PolarHBondContact O-N 2.61Å; R117-V119 PolarHBondContact O-N 2.97Å | ||
| 118 | K | 64.9 | Low | 58.2 | Low | 168 Ų | 168 | 116.5 Ų | 116.5 | 73% | 0.73 | 70% | 0.7 | S | S | * | * | trans | -69.2 | 107.1 | -177 | -152.4 | 174.1 | -174.9 | -174.5 | 0 | 108.7 | S116 | S116-K118 PolarHBondContact O-N 2.77Š| ||
| 119 | V | 61.9 | Low | 59.9 | Low | 135 Ų | 135 | 114.6 Ų | 114.6 | 82% | 0.818 | 68% | 0.681 | S | S | * | * | trans | -60.7 | 138.8 | -178.3 | -175.3 | 0 | 0 | 0 | 0 | 109.7 | R117 N121 | R117-V119 PolarHBondContact O-N 2.97Å; V119-N121 WeakPolarHBondContact O-CB 3.03Å; V119-N121 PolarHBondContact O-N 3.45Å | ||
| 120 | N | 63.2 | Low | 61.9 | Low | 133 Ų | 133 | 114.6 Ų | 114.6 | 71% | 0.711 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -35.4 | 85.9 | -161.1 | -161.2 | 31.3 | 0 | 0 | 0 | 116.2 | I122 | N120-I122 WeakPolarHBondContact OD1-CD1 3.46Å; N120-I122 VanDerWaalsContact OD1-CG1 3.3Å; N120-I122 WeakPolarHBondContact OD1-CG1 3.29Å |
| 121 | N | 72.3 | Confident | 63.9 | Low | 86 Ų | 86 | 113.2 Ų | 113.2 | 46% | 0.46 | 65% | 0.651 | S | S | . | * | trans | -105.7 | 44.3 | -173.2 | -162 | 6.6 | 0 | 0 | 0 | 112.1 | V119 W123 G124 S125 | V119-N121 WeakPolarHBondContact O-CB 3.03Å; V119-N121 PolarHBondContact O-N 3.45Å; N121-W123 VanDerWaalsContact C-N 3.31Å; N121-W123 PolarHBondContact O-N 3.37Å; N121-G124 PolarHBondContact O-N 3.5Å; N121-G124 WeakPolarHBondContact OD1-CA 3.42Å; N121-G124 PolarHBondContact OD1-N 2.59Å; N121-S125 WeakPolarHBondContact O-CB 3.41Å; N121-S125 PolarHBondContact O-N 2.79Å | ||
| 122 | I | 75.7 | Confident | 65.9 | Low | 93 Ų | 93 | 111.8 Ų | 111.8 | 48% | 0.477 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -57.5 | -46.4 | -178.9 | -57.9 | 166.4 | 0 | 0 | 0 | 110 | N120 G124 S125 V126 | N120-I122 WeakPolarHBondContact OD1-CD1 3.46Å; N120-I122 VanDerWaalsContact OD1-CG1 3.3Å; N120-I122 WeakPolarHBondContact OD1-CG1 3.29Å; I122-G124 PolarHBondContact O-N 2.99Å; I122-S125 CarbonylContact O-C 3.57Å; I122-S125 WeakPolarHBondContact O-CB 3.28Å; I122-S125 PolarHBondContact O-N 2.89Å; I122-S125 VanDerWaalsContact O-N 3.12Å; I122-V126 HydrophobicContact CG2-CG2 4.05Å; I122-V126 WeakPolarHBondContact O-CG2 3.19Å; I122-V126 PolarHBondContact O-N 3.41Å |
| 123 | W | 69.5 | Low | 67.2 | Low | 224 Ų | 224 | 112.5 Ų | 112.5 | 85% | 0.848 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -64.7 | -42.8 | -177.4 | -69.6 | 63.4 | 0 | 0 | 0 | 112 | N121 S125 V127 | N121-W123 VanDerWaalsContact C-N 3.31Å; N121-W123 PolarHBondContact O-N 3.37Å; W123-S125 VanDerWaalsContact C-N 3.31Å; W123-S125 PolarHBondContact O-N 2.74Å; W123-V127 WeakPolarHBondContact O-CB 3.05Å; W123-V127 VanDerWaalsContact O-CG2 3.3Å; W123-V127 WeakPolarHBondContact O-CG2 3.35Å; W123-V127 PolarHBondContact O-N 2.9Å |
| 124 | G | 77.1 | Confident | 68.9 | Low | 30 Ų | 30 | 110.8 Ų | 110.8 | 31% | 0.309 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -66.7 | -32 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | N121 I122 Q128 | N121-G124 PolarHBondContact O-N 3.5Å; N121-G124 WeakPolarHBondContact OD1-CA 3.42Å; N121-G124 PolarHBondContact OD1-N 2.59Å; I122-G124 PolarHBondContact O-N 2.99Å; G124-Q128 WeakPolarHBondContact O-CB 3.18Å; G124-Q128 PolarHBondContact O-N 3.27Å; G124-Q128 VanDerWaalsContact O-N 3.08Å |
| 125 | S | 77.8 | Confident | 69.8 | Low | 64 Ų | 64 | 108.5 Ų | 108.5 | 45% | 0.448 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -70.5 | -50.5 | 175.1 | -156.9 | 0 | 0 | 0 | 0 | 111.6 | N121 I122 W123 V127 Q128 E129 | N121-S125 WeakPolarHBondContact O-CB 3.41Å; N121-S125 PolarHBondContact O-N 2.79Å; I122-S125 CarbonylContact O-C 3.57Å; I122-S125 WeakPolarHBondContact O-CB 3.28Å; I122-S125 PolarHBondContact O-N 2.89Å; I122-S125 VanDerWaalsContact O-N 3.12Å; W123-S125 VanDerWaalsContact C-N 3.31Å; W123-S125 PolarHBondContact O-N 2.74Å; S125-V127 PolarHBondContact O-N 3.12Å; S125-Q128 CarbonylContact O-C 3.59Å; S125-Q128 PolarHBondContact O-N 2.91Å; S125-Q128 VanDerWaalsContact O-N 3.16Å; S125-E129 WeakPolarHBondContact O-CB 3.49Å; S125-E129 PolarHBondContact O-N 2.88Å |
| 126 | V | 79.8 | Confident | 70.7 | Confident | 57 Ų | 57 | 109.1 Ų | 109.1 | 35% | 0.345 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -65.7 | -38.7 | -178.6 | 171.8 | 0 | 0 | 0 | 0 | 111.5 | I122 E129 Q130 | I122-V126 HydrophobicContact CG2-CG2 4.05Å; I122-V126 WeakPolarHBondContact O-CG2 3.19Å; I122-V126 PolarHBondContact O-N 3.41Å; V126-E129 PolarHBondContact O-N 3.2Å; V126-Q130 HydrophobicContact CG1-CG 4.32Å; V126-Q130 VanDerWaalsContact O-CB 3.29Å; V126-Q130 WeakPolarHBondContact O-CB 3.42Å; V126-Q130 VanDerWaalsContact O-CG 3.27Å; V126-Q130 WeakPolarHBondContact O-CG 3.21Å; V126-Q130 PolarHBondContact O-N 2.92Å |
| 127 | V | 80.8 | Confident | 71.9 | Confident | 82 Ų | 82 | 106.2 Ų | 106.2 | 50% | 0.497 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -67.6 | -39.7 | 172.6 | 171.6 | 0 | 0 | 0 | 0 | 111 | W123 S125 C131 | W123-V127 WeakPolarHBondContact O-CB 3.05Å; W123-V127 VanDerWaalsContact O-CG2 3.3Å; W123-V127 WeakPolarHBondContact O-CG2 3.35Å; W123-V127 PolarHBondContact O-N 2.9Å; S125-V127 PolarHBondContact O-N 3.12Å; V127-C131 VanDerWaalsContact O-CB 3.3Å; V127-C131 WeakPolarHBondContact O-CB 3.26Å; V127-C131 PolarHBondContact O-N 2.89Å; V127-C131 PolarHBondContact O-SG 3.09Å |
| 128 | Q | 78.1 | Confident | 72.2 | Confident | 124 Ų | 124 | 101.1 Ų | 101.1 | 58% | 0.579 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64.7 | -41.5 | 175.5 | -177.6 | 172.6 | -0.2 | 0 | 0 | 111.7 | G124 S125 Q132 | G124-Q128 WeakPolarHBondContact O-CB 3.18Å; G124-Q128 PolarHBondContact O-N 3.27Å; G124-Q128 VanDerWaalsContact O-N 3.08Å; S125-Q128 CarbonylContact O-C 3.59Å; S125-Q128 PolarHBondContact O-N 2.91Å; S125-Q128 VanDerWaalsContact O-N 3.16Å; Q128-Q132 WeakPolarHBondContact O-CB 3.49Å; Q128-Q132 PolarHBondContact O-N 2.94Å |
| 129 | E | 77.5 | Confident | 71.9 | Confident | 105 Ų | 105 | 97.5 Ų | 97.5 | 49% | 0.491 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.9 | -52.5 | 177.5 | -174.7 | 171 | -165.6 | 0 | 0 | 111 | S125 V126 C131 Q132 D133 | S125-E129 WeakPolarHBondContact O-CB 3.49Å; S125-E129 PolarHBondContact O-N 2.88Å; V126-E129 PolarHBondContact O-N 3.2Å; E129-C131 VanDerWaalsContact C-N 3.32Å; E129-C131 PolarHBondContact O-N 3Å; E129-Q132 WeakPolarHBondContact O-CB 3.48Å; E129-Q132 PolarHBondContact O-N 3.31Å; E129-D133 WeakPolarHBondContact O-CB 3.25Å; E129-D133 PolarHBondContact O-N 3.22Å |
| 130 | Q | 75.4 | Confident | 71.4 | Confident | 128 Ų | 128 | 92.9 Ų | 92.9 | 60% | 0.598 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.4 | -37.6 | 175.3 | -73.4 | 178.2 | -19.3 | 0 | 0 | 113 | V126 A134 | V126-Q130 HydrophobicContact CG1-CG 4.32Å; V126-Q130 VanDerWaalsContact O-CB 3.29Å; V126-Q130 WeakPolarHBondContact O-CB 3.42Å; V126-Q130 VanDerWaalsContact O-CG 3.27Å; V126-Q130 WeakPolarHBondContact O-CG 3.21Å; V126-Q130 PolarHBondContact O-N 2.92Å; Q130-A134 WeakPolarHBondContact O-CB 3.42Å; Q130-A134 PolarHBondContact O-N 2.95Å |
| 131 | C | 75.1 | Confident | 71 | Confident | 67 Ų | 67 | 92.5 Ų | 92.5 | 45% | 0.453 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -70 | -38.5 | 172.5 | -72.2 | 0 | 0 | 0 | 0 | 112.4 | V127 E129 I135 | V127-C131 VanDerWaalsContact O-CB 3.3Å; V127-C131 WeakPolarHBondContact O-CB 3.26Å; V127-C131 PolarHBondContact O-N 2.89Å; V127-C131 PolarHBondContact O-SG 3.09Å; E129-C131 VanDerWaalsContact C-N 3.32Å; E129-C131 PolarHBondContact O-N 3Å; C131-I135 WeakPolarHBondContact O-CB 3.18Å; C131-I135 WeakPolarHBondContact O-CD1 3.37Å; C131-I135 WeakPolarHBondContact O-CG1 3.38Å; C131-I135 PolarHBondContact O-N 3.25Å |
| 132 | Q | 74.4 | Confident | 70 | Confident | 105 Ų | 105 | 96.7 Ų | 96.7 | 49% | 0.491 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.4 | -44 | 177.3 | -167.5 | 72.8 | 72.4 | 0 | 0 | 110.9 | Q128 E129 T136 | Q128-Q132 WeakPolarHBondContact O-CB 3.49Å; Q128-Q132 PolarHBondContact O-N 2.94Å; E129-Q132 WeakPolarHBondContact O-CB 3.48Å; E129-Q132 PolarHBondContact O-N 3.31Å; Q132-T136 VanDerWaalsContact O-CB 3.31Å; Q132-T136 WeakPolarHBondContact O-CB 3.48Å; Q132-T136 PolarHBondContact O-N 3.24Å; Q132-T136 PolarHBondContact O-OG1 3.46Å |
| 133 | D | 70.7 | Confident | 68.7 | Low | 96 Ų | 96 | 95.1 Ų | 95.1 | 51% | 0.513 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -71.3 | -40.9 | 179.3 | -71.4 | -8.9 | 0 | 0 | 0 | 111.7 | E129 T136 A137 | E129-D133 WeakPolarHBondContact O-CB 3.25Å; E129-D133 PolarHBondContact O-N 3.22Å; D133-T136 PolarHBondContact O-N 3Å; D133-A137 VanDerWaalsContact O-CB 3.26Å; D133-A137 WeakPolarHBondContact O-CB 3.47Å; D133-A137 PolarHBondContact O-N 2.96Å |
| 134 | A | 72.4 | Confident | 67.8 | Low | 56 Ų | 56 | 89.8 Ų | 89.8 | 46% | 0.463 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.1 | -45.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q130 T136 A137 E138 | Q130-A134 WeakPolarHBondContact O-CB 3.42Å; Q130-A134 PolarHBondContact O-N 2.95Å; A134-T136 VanDerWaalsContact C-N 3.31Å; A134-T136 PolarHBondContact O-N 3.13Å; A134-A137 PolarHBondContact O-N 3.43Å; A134-E138 PolarHBondContact O-N 2.98Å |
| 135 | I | 68 | Low | 66.4 | Low | 96 Ų | 96 | 96.9 Ų | 96.9 | 49% | 0.492 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.5 | -39.6 | 175.1 | -70.4 | 166.2 | 0 | 0 | 0 | 110.8 | C131 L139 | C131-I135 WeakPolarHBondContact O-CB 3.18Å; C131-I135 WeakPolarHBondContact O-CD1 3.37Å; C131-I135 WeakPolarHBondContact O-CG1 3.38Å; C131-I135 PolarHBondContact O-N 3.25Å; I135-L139 HydrophobicContact CG2-CD1 4.34Å; I135-L139 WeakPolarHBondContact O-CB 3.26Å; I135-L139 WeakPolarHBondContact O-CD1 3.34Å; I135-L139 PolarHBondContact O-N 3.08Å |
| 136 | T | 69 | Low | 65.2 | Low | 82 Ų | 82 | 97.3 Ų | 97.3 | 50% | 0.503 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -70.7 | -39 | 179.6 | -56.5 | 0 | 0 | 0 | 0 | 111.8 | Q132 D133 A134 L139 G140 | Q132-T136 VanDerWaalsContact O-CB 3.31Å; Q132-T136 WeakPolarHBondContact O-CB 3.48Å; Q132-T136 PolarHBondContact O-N 3.24Å; Q132-T136 PolarHBondContact O-OG1 3.46Å; D133-T136 PolarHBondContact O-N 3Å; A134-T136 VanDerWaalsContact C-N 3.31Å; A134-T136 PolarHBondContact O-N 3.13Å; T136-L139 PolarHBondContact O-N 2.7Å; T136-G140 PolarHBondContact O-N 2.85Å |
| 137 | A | 68.2 | Low | 63.6 | Low | 59 Ų | 59 | 99.1 Ų | 99.1 | 49% | 0.488 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -65.5 | -43.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | D133 A134 G140 V141 | D133-A137 VanDerWaalsContact O-CB 3.26Å; D133-A137 WeakPolarHBondContact O-CB 3.47Å; D133-A137 PolarHBondContact O-N 2.96Å; A134-A137 PolarHBondContact O-N 3.43Å; A137-G140 PolarHBondContact O-N 3.46Å; A137-V141 WeakPolarHBondContact O-CG2 3.44Å; A137-V141 PolarHBondContact O-N 3.04Å |
| 138 | E | 64.4 | Low | 62 | Low | 134 Ų | 134 | 98.8 Ų | 98.8 | 63% | 0.626 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -66.1 | -39.9 | 174.9 | -71.9 | -162.9 | -172.8 | 0 | 0 | 111.9 | A134 G140 V141 F142 | A134-E138 PolarHBondContact O-N 2.98Å; E138-G140 VanDerWaalsContact C-N 3.32Å; E138-G140 PolarHBondContact O-N 3.21Å; E138-V141 PolarHBondContact O-N 3.05Å; E138-F142 VanDerWaalsContact O-CD2 3.24Å; E138-F142 WeakPolarHBondContact O-CD2 3.32Å; E138-F142 PolarHBondContact O-N 3.36Å |
| 139 | L | 58.3 | Low | 60.5 | Low | 91 Ų | 91 | 99.7 Ų | 99.7 | 48% | 0.476 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -61.4 | -37.5 | 172.2 | -101.4 | 64 | 0 | 0 | 0 | 112.9 | I135 T136 F142 M144 | I135-L139 HydrophobicContact CG2-CD1 4.34Å; I135-L139 WeakPolarHBondContact O-CB 3.26Å; I135-L139 WeakPolarHBondContact O-CD1 3.34Å; I135-L139 PolarHBondContact O-N 3.08Å; T136-L139 PolarHBondContact O-N 2.7Å; L139-F142 PolarHBondContact O-N 3.35Å; L139-M144 HydrophobicContact CD2-CE 4.35Å |
| 140 | G | 52.3 | Low | 59.2 | Low | 38 Ų | 38 | 99 Ų | 99 | 39% | 0.392 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -67.5 | -41.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | T136 A137 E138 F142 G143 | T136-G140 PolarHBondContact O-N 2.85Å; A137-G140 PolarHBondContact O-N 3.46Å; E138-G140 VanDerWaalsContact C-N 3.32Å; E138-G140 PolarHBondContact O-N 3.21Å; G140-F142 PolarHBondContact O-N 2.88Å; G140-G143 PolarHBondContact O-N 3.05Å |
| 141 | V | 55.3 | Low | 58 | Low | 125 Ų | 125 | 96.6 Ų | 96.6 | 76% | 0.758 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -63.8 | -29.4 | 175.2 | 167.7 | 0 | 0 | 0 | 0 | 112.1 | A137 E138 G143 | A137-V141 WeakPolarHBondContact O-CG2 3.44Å; A137-V141 PolarHBondContact O-N 3.04Å; E138-V141 PolarHBondContact O-N 3.05Å; V141-G143 PolarHBondContact O-N 3.19Å |
| 142 | F | 49.8 | Very low | 56.9 | Low | 174 Ų | 174 | 102.9 Ų | 102.9 | 76% | 0.763 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.4 | 10.5 | 170.2 | -79.4 | -66.8 | 0 | 0 | 0 | 114.7 | E138 L139 G140 M144 | E138-F142 VanDerWaalsContact O-CD2 3.24Å; E138-F142 WeakPolarHBondContact O-CD2 3.32Å; E138-F142 PolarHBondContact O-N 3.36Å; L139-F142 PolarHBondContact O-N 3.35Å; G140-F142 PolarHBondContact O-N 2.88Å; F142-M144 VanDerWaalsContact C-N 3.32Å; F142-M144 PolarHBondContact O-N 3.26Å |
| 143 | G | 49 | Very low | 55.4 | Low | 61 Ų | 61 | 102.7 Ų | 102.7 | 63% | 0.629 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 69.5 | 24.5 | 166.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | G140 V141 E145 | G140-G143 PolarHBondContact O-N 3.05Å; V141-G143 PolarHBondContact O-N 3.19Å; G143-E145 VanDerWaalsContact C-N 3.28Å; G143-E145 PolarHBondContact O-N 2.97Å |
| 144 | M | 51.4 | Low | 54.5 | Low | 112 Ų | 112 | 104.8 Ų | 104.8 | 55% | 0.552 | 63% | 0.625 | S | S | * | * | trans | -89.4 | 11 | -176.3 | -143.4 | 171.2 | 69.3 | 0 | 0 | 114 | L139 F142 G146 V147 | L139-M144 HydrophobicContact CD2-CE 4.35Å; F142-M144 VanDerWaalsContact C-N 3.32Å; F142-M144 PolarHBondContact O-N 3.26Å; M144-G146 PolarHBondContact O-N 3.33Å; M144-V147 HydrophobicContact CG-CB 4.15Å; M144-V147 HydrophobicContact CG-CG2 3.71Å; M144-V147 PolarHBondContact O-N 3.26Å | ||
| 145 | E | 47.4 | Very low | 53.4 | Low | 179 Ų | 179 | 108.8 Ų | 108.8 | 84% | 0.836 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.2 | 116 | 172.4 | -167.4 | 75.3 | -112.5 | 0 | 0 | 110.2 | G143 | G143-E145 VanDerWaalsContact C-N 3.28Å; G143-E145 PolarHBondContact O-N 2.97Å |
| 146 | G | 52.8 | Low | 52.8 | Low | 73 Ų | 73 | 111.5 Ų | 111.5 | 75% | 0.753 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 97.7 | -0.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 117 | M144 S148 | M144-G146 PolarHBondContact O-N 3.33Å; G146-S148 VanDerWaalsContact C-N 3.34Å; G146-S148 PolarHBondContact O-N 3.24Å |
| 147 | V | 45.6 | Very low | 51.9 | Low | 94 Ų | 94 | 115.2 Ų | 115.2 | 57% | 0.57 | 66% | 0.662 | S | S | * | * | trans | -73.6 | 88.6 | 171.3 | -175 | 0 | 0 | 0 | 0 | 110.2 | M144 M149 | M144-V147 HydrophobicContact CG-CB 4.15Å; M144-V147 HydrophobicContact CG-CG2 3.71Å; M144-V147 PolarHBondContact O-N 3.26Å; V147-M149 PolarHBondContact O-N 3.03Å | ||
| 148 | S | 46.8 | Very low | 51.9 | Low | 76 Ų | 76 | 116.8 Ų | 116.8 | 53% | 0.531 | 66% | 0.662 | S | S | . | * | trans | -57.2 | 123.4 | 173.8 | 179.4 | 0 | 0 | 0 | 0 | 111 | G146 A150 S151 | G146-S148 VanDerWaalsContact C-N 3.34Å; G146-S148 PolarHBondContact O-N 3.24Å; S148-A150 PolarHBondContact O-N 3.22Å; S148-A150 PolarHBondContact OG-N 3.48Å; S148-S151 PolarHBondContact O-N 2.98Å; S148-S151 PolarHBondContact O-OG 2.91Å | ||
| 149 | M | 47.3 | Very low | 51.6 | Low | 142 Ų | 142 | 117.3 Ų | 117.3 | 70% | 0.7 | 66% | 0.662 | S | S | * | * | G | 310 helix | trans | -57 | -12.9 | 176 | -87.7 | -82.6 | -167.2 | 0 | 0 | 114.1 | V147 S151 R152 | V147-M149 PolarHBondContact O-N 3.03Å; M149-S151 PolarHBondContact O-N 2.96Å; M149-R152 PolarHBondContact O-N 3.38Å; M149-R152 HydrophobicContact SD-CG 4.43Å |
| 150 | A | 49.9 | Very low | 52 | Low | 90 Ų | 90 | 117.2 Ų | 117.2 | 74% | 0.744 | 67% | 0.665 | S | S | * | * | G | 310 helix | trans | -66.8 | -17.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | S148 | S148-A150 PolarHBondContact O-N 3.22Å; S148-A150 PolarHBondContact OG-N 3.48Å |
| 151 | S | 49.1 | Very low | 52.7 | Low | 79 Ų | 79 | 119.9 Ų | 119.9 | 55% | 0.552 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -95.4 | 17.7 | 174.9 | 67.4 | 0 | 0 | 0 | 0 | 114.3 | S148 M149 S153 | S148-S151 PolarHBondContact O-N 2.98Å; S148-S151 PolarHBondContact O-OG 2.91Å; M149-S151 PolarHBondContact O-N 2.96Å; S151-S153 PolarHBondContact O-N 3.21Å |
| 152 | R | 52.8 | Low | 53.2 | Low | 198 Ų | 198 | 115.8 Ų | 115.8 | 75% | 0.747 | 65% | 0.649 | S | S | * | * | trans | -67.5 | 74.1 | 147.8 | -75.9 | -173 | 173.4 | -168.8 | -1.8 | 108.4 | M149 | M149-R152 PolarHBondContact O-N 3.38Å; M149-R152 HydrophobicContact SD-CG 4.43Å | ||
| 153 | S | 43.3 | Very low | 54.1 | Low | 101 Ų | 101 | 115.5 Ų | 115.5 | 71% | 0.706 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 145.3 | 170.4 | 42.3 | 0 | 0 | 0 | 0 | 109.4 | S151 E155 | S151-S153 PolarHBondContact O-N 3.21Å; S153-E155 PolarHBondContact O-N 2.87Å; S153-E155 VanDerWaalsContact O-N 3.09Å |
| 154 | V | 52.1 | Low | 55.3 | Low | 141 Ų | 141 | 119.4 Ų | 119.4 | 86% | 0.855 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -50 | 119.9 | -174.9 | 177.1 | 0 | 0 | 0 | 0 | 109.4 | ||
| 155 | E | 49.6 | Very low | 56.2 | Low | 139 Ų | 139 | 120.1 Ų | 120.1 | 65% | 0.65 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -49.4 | 153.2 | 173.8 | -62.7 | 176.7 | 172.1 | 0 | 0 | 109.8 | S153 Y157 | S153-E155 PolarHBondContact O-N 2.87Å; S153-E155 VanDerWaalsContact O-N 3.09Å; E155-Y157 HydrophobicContact CB-CD2 4.19Å; E155-Y157 PolarHBondContact O-N 3.3Å |
| 156 | T | 54.3 | Low | 57.3 | Low | 153 Ų | 153 | 117.2 Ų | 117.2 | 94% | 0.939 | 63% | 0.634 | S | S | * | * | trans | -71.5 | 40.2 | -176.9 | -32.7 | 0 | 0 | 0 | 0 | 113.7 | N158 | T156-N158 PolarHBondContact O-N 3.12Š| ||
| 157 | Y | 50.2 | Low | 58.4 | Low | 160 Ų | 160 | 119.7 Ų | 119.7 | 63% | 0.627 | 63% | 0.626 | S | S | * | * | trans | -64.2 | 92.6 | 167.8 | -104.4 | -83.7 | 0 | 0 | 0 | 109.8 | E155 F159 | E155-Y157 HydrophobicContact CB-CD2 4.19Å; E155-Y157 PolarHBondContact O-N 3.3Å; Y157-F159 PolarHBondContact O-N 3.07Å | ||
| 158 | N | 69.2 | Low | 59.7 | Low | 92 Ų | 92 | 120.6 Ų | 120.6 | 49% | 0.492 | 62% | 0.622 | S | S | . | * | trans | -65.8 | 88.3 | 158.4 | -175.1 | -20.8 | 0 | 0 | 0 | 108.1 | T156 V160 L161 A162 | T156-N158 PolarHBondContact O-N 3.12Å; N158-V160 PolarHBondContact O-N 3.5Å; N158-V160 WeakPolarHBondContact OD1-CB 3.43Å; N158-V160 PolarHBondContact OD1-N 2.84Å; N158-L161 HydrophobicContact CB-CB 3.89Å; N158-L161 WeakPolarHBondContact O-CB 3.42Å; N158-L161 PolarHBondContact O-N 3.24Å; N158-L161 PolarHBondContact OD1-N 2.88Å; N158-A162 PolarHBondContact O-N 3.17Å | ||
| 159 | F | 56.8 | Low | 60.9 | Low | 146 Ų | 146 | 123.1 Ų | 123.1 | 64% | 0.64 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -63 | -20.8 | -178.9 | 52.8 | -94.6 | 0 | 0 | 0 | 112.8 | Y157 R163 | Y157-F159 PolarHBondContact O-N 3.07Å; F159-R163 VanDerWaalsContact O-CB 3.28Å; F159-R163 WeakPolarHBondContact O-CB 3.2Å; F159-R163 PolarHBondContact O-N 3.2Å |
| 160 | V | 67.4 | Low | 62.2 | Low | 88 Ų | 88 | 124.5 Ų | 124.5 | 53% | 0.533 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -73 | -45 | 171.1 | -172.8 | 0 | 0 | 0 | 0 | 110 | N158 R163 K164 | N158-V160 PolarHBondContact O-N 3.5Å; N158-V160 WeakPolarHBondContact OD1-CB 3.43Å; N158-V160 PolarHBondContact OD1-N 2.84Å; V160-R163 PolarHBondContact O-N 2.93Å; V160-K164 VanDerWaalsContact O-CB 3.29Å; V160-K164 WeakPolarHBondContact O-CB 3.46Å; V160-K164 PolarHBondContact O-N 3.34Å |
| 161 | L | 65.9 | Low | 63.2 | Low | 95 Ų | 95 | 123.6 Ų | 123.6 | 50% | 0.497 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -62 | -46.4 | 173.6 | -179.5 | 62.5 | 0 | 0 | 0 | 111.3 | N158 R163 K164 M165 | N158-L161 HydrophobicContact CB-CB 3.89Å; N158-L161 WeakPolarHBondContact O-CB 3.42Å; N158-L161 PolarHBondContact O-N 3.24Å; N158-L161 PolarHBondContact OD1-N 2.88Å; L161-R163 VanDerWaalsContact C-N 3.34Å; L161-R163 PolarHBondContact O-N 3.11Å; L161-K164 PolarHBondContact O-N 3.28Å; L161-M165 HydrophobicContact CD1-CG 4.34Å; L161-M165 WeakPolarHBondContact O-CG 3.44Å; L161-M165 PolarHBondContact O-N 3.01Å |
| 162 | A | 67.1 | Low | 64 | Low | 38 Ų | 38 | 123.4 Ų | 123.4 | 31% | 0.314 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -59.6 | -43.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | N158 M165 M166 | N158-A162 PolarHBondContact O-N 3.17Å; A162-M165 PolarHBondContact O-N 2.61Å; A162-M166 VanDerWaalsContact O-CG 3.32Å; A162-M166 WeakPolarHBondContact O-CG 3.42Å; A162-M166 PolarHBondContact O-N 2.97Å; A162-M166 VanDerWaalsContact O-N 3.13Å |
| 163 | R | 69 | Low | 64.5 | Low | 169 Ų | 169 | 120 Ų | 120 | 64% | 0.638 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -62.3 | -46.9 | 173.5 | -173 | -178 | -60.1 | 177.6 | 2 | 111.7 | F159 V160 L161 M165 M166 E167 | F159-R163 VanDerWaalsContact O-CB 3.28Å; F159-R163 WeakPolarHBondContact O-CB 3.2Å; F159-R163 PolarHBondContact O-N 3.2Å; V160-R163 PolarHBondContact O-N 2.93Å; L161-R163 VanDerWaalsContact C-N 3.34Å; L161-R163 PolarHBondContact O-N 3.11Å; R163-M165 VanDerWaalsContact C-N 3.3Å; R163-M165 PolarHBondContact O-N 3.41Å; R163-M166 PolarHBondContact O-N 2.93Å; R163-E167 VanDerWaalsContact O-CB 3.29Å; R163-E167 WeakPolarHBondContact O-CB 3.42Å; R163-E167 PolarHBondContact O-N 2.68Å |
| 164 | K | 73.4 | Confident | 65.6 | Low | 143 Ų | 143 | 120.6 Ų | 120.6 | 62% | 0.622 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -64.3 | -31.9 | -179.8 | -168 | 176.4 | -177.1 | -177.6 | 0 | 112.5 | V160 L161 K168 | V160-K164 VanDerWaalsContact O-CB 3.29Å; V160-K164 WeakPolarHBondContact O-CB 3.46Å; V160-K164 PolarHBondContact O-N 3.34Å; L161-K164 PolarHBondContact O-N 3.28Å; K164-K168 WeakPolarHBondContact O-CB 3.37Å; K164-K168 PolarHBondContact O-N 2.97Å |
| 165 | M | 69.4 | Low | 65.9 | Low | 126 Ų | 126 | 117.7 Ų | 117.7 | 62% | 0.621 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -69.3 | -48.5 | 172.2 | -71.9 | -169.5 | 75.8 | 0 | 0 | 111.9 | L161 A162 R163 E167 K168 E169 | L161-M165 HydrophobicContact CD1-CG 4.34Å; L161-M165 WeakPolarHBondContact O-CG 3.44Å; L161-M165 PolarHBondContact O-N 3.01Å; A162-M165 PolarHBondContact O-N 2.61Å; R163-M165 VanDerWaalsContact C-N 3.3Å; R163-M165 PolarHBondContact O-N 3.41Å; M165-E167 PolarHBondContact O-N 3.29Å; M165-K168 PolarHBondContact O-N 3.43Å; M165-E169 VanDerWaalsContact O-CB 3.3Å; M165-E169 WeakPolarHBondContact O-CB 3.49Å; M165-E169 PolarHBondContact O-N 3.19Å |
| 166 | M | 72.5 | Confident | 66 | Low | 119 Ų | 119 | 112.5 Ų | 112.5 | 59% | 0.586 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -61.3 | -31.9 | 175.5 | -64.8 | -70.7 | -64.5 | 0 | 0 | 112.7 | A162 R163 R170 | A162-M166 VanDerWaalsContact O-CG 3.32Å; A162-M166 WeakPolarHBondContact O-CG 3.42Å; A162-M166 PolarHBondContact O-N 2.97Å; A162-M166 VanDerWaalsContact O-N 3.13Å; R163-M166 PolarHBondContact O-N 2.93Å; M166-R170 WeakPolarHBondContact O-CB 3.26Å; M166-R170 PolarHBondContact O-N 2.67Å; M166-R170 VanDerWaalsContact O-N 3.16Å |
| 167 | E | 74.3 | Confident | 66.1 | Low | 125 Ų | 125 | 114.7 Ų | 114.7 | 58% | 0.584 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -76.5 | -41.5 | 177.5 | -167.1 | 157.3 | -123.6 | 0 | 0 | 111.7 | R163 M165 R170 E171 | R163-E167 VanDerWaalsContact O-CB 3.29Å; R163-E167 WeakPolarHBondContact O-CB 3.42Å; R163-E167 PolarHBondContact O-N 2.68Å; M165-E167 PolarHBondContact O-N 3.29Å; E167-R170 PolarHBondContact O-N 3.39Å; E167-E171 WeakPolarHBondContact O-CB 3.38Å; E167-E171 PolarHBondContact O-N 3.43Å |
| 168 | K | 73.4 | Confident | 66.3 | Low | 112 Ų | 112 | 113.8 Ų | 113.8 | 49% | 0.487 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.8 | -37.3 | 172 | -167.8 | 175.3 | -175.6 | -178.7 | 0 | 112 | K164 M165 E171 V172 H355 | K164-K168 WeakPolarHBondContact O-CB 3.37Å; K164-K168 PolarHBondContact O-N 2.97Å; M165-K168 PolarHBondContact O-N 3.43Å; K168-E171 PolarHBondContact O-N 2.92Å; K168-V172 WeakPolarHBondContact O-CB 3.14Å; K168-V172 VanDerWaalsContact O-CG2 3.31Å; K168-V172 WeakPolarHBondContact O-CG2 3.47Å; K168-V172 PolarHBondContact O-N 3.35Å; K168-H355 PolarHBondContact NZ-NE2 2.91Å |
| 169 | E | 71.6 | Confident | 65.6 | Low | 130 Ų | 130 | 115.8 Ų | 115.8 | 61% | 0.607 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61.1 | -48.5 | 174.7 | -177.9 | 174.9 | -156.6 | 0 | 0 | 111.1 | M165 E171 V172 E173 | M165-E169 VanDerWaalsContact O-CB 3.3Å; M165-E169 WeakPolarHBondContact O-CB 3.49Å; M165-E169 PolarHBondContact O-N 3.19Å; E169-E171 VanDerWaalsContact C-N 3.34Å; E169-E171 PolarHBondContact O-N 3.02Å; E169-V172 PolarHBondContact O-N 3.26Å; E169-E173 WeakPolarHBondContact O-CB 3.37Å; E169-E173 PolarHBondContact O-N 2.75Å |
| 170 | R | 74.5 | Confident | 65.6 | Low | 170 Ų | 170 | 110.2 Ų | 110.2 | 64% | 0.642 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.3 | -37.6 | 174.8 | -174 | -175.3 | -61.2 | 164.1 | 4.2 | 112.9 | M166 E167 E173 R174 | M166-R170 WeakPolarHBondContact O-CB 3.26Å; M166-R170 PolarHBondContact O-N 2.67Å; M166-R170 VanDerWaalsContact O-N 3.16Å; E167-R170 PolarHBondContact O-N 3.39Å; R170-E173 PolarHBondContact O-N 2.96Å; R170-R174 WeakPolarHBondContact O-CB 3.36Å; R170-R174 PolarHBondContact O-N 2.99Å |
| 171 | E | 70.3 | Confident | 65 | Low | 71 Ų | 71 | 111.3 Ų | 111.3 | 33% | 0.332 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -71.4 | -35.3 | 179 | -177.7 | 56.3 | -161.9 | 0 | 0 | 111.5 | E167 K168 E169 R174 Q175 | E167-E171 WeakPolarHBondContact O-CB 3.38Å; E167-E171 PolarHBondContact O-N 3.43Å; K168-E171 PolarHBondContact O-N 2.92Å; E169-E171 VanDerWaalsContact C-N 3.34Å; E169-E171 PolarHBondContact O-N 3.02Å; E171-R174 WeakPolarHBondContact O-CB 3.45Å; E171-R174 PolarHBondContact O-N 3.07Å; E171-R174 IonicContact OE1-CZ 3.42Å; E171-R174 IonicContact OE1-NE 3.3Å; E171-R174 PolarHBondContact OE1-NE 2.7Å; E171-R174 IonicContact OE1-NH2 2.72Å; E171-R174 PolarHBondContact OE1-NH2 3.37Å; E171-R174 IonicContact OE2-CZ 3.72Å; E171-R174 IonicContact OE2-NE 2.81Å; E171-R174 PolarHBondContact OE2-NE 3Å; E171-R174 IonicContact OE2-NH2 3.47Å; E171-Q175 WeakPolarHBondContact O-CB 3.48Å; E171-Q175 VanDerWaalsContact O-CG 3.24Å; E171-Q175 WeakPolarHBondContact O-CG 3.49Å; E171-Q175 PolarHBondContact O-N 2.64Å; E171-Q175 PolarHBondContact OE1-NE2 3.33Å |
| 172 | V | 66.4 | Low | 64.3 | Low | 76 Ų | 76 | 110 Ų | 110 | 46% | 0.461 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68.1 | -40.2 | 170 | 170 | 0 | 0 | 0 | 0 | 111.5 | K168 E169 R174 Q175 S176 | K168-V172 WeakPolarHBondContact O-CB 3.14Å; K168-V172 VanDerWaalsContact O-CG2 3.31Å; K168-V172 WeakPolarHBondContact O-CG2 3.47Å; K168-V172 PolarHBondContact O-N 3.35Å; E169-V172 PolarHBondContact O-N 3.26Å; V172-R174 VanDerWaalsContact C-N 3.26Å; V172-R174 PolarHBondContact O-N 3.42Å; V172-Q175 PolarHBondContact O-N 3.33Å; V172-S176 VanDerWaalsContact O-CB 3.32Å; V172-S176 WeakPolarHBondContact O-CB 3.39Å; V172-S176 PolarHBondContact O-N 3.04Å; V172-S176 PolarHBondContact O-OG 2.81Å |
| 173 | E | 63.2 | Low | 64.1 | Low | 126 Ų | 126 | 112.5 Ų | 112.5 | 59% | 0.589 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -59.4 | -38 | 170.3 | -174.1 | -171.5 | -164.6 | 0 | 0 | 111.2 | E169 R170 R177 | E169-E173 WeakPolarHBondContact O-CB 3.37Å; E169-E173 PolarHBondContact O-N 2.75Å; R170-E173 PolarHBondContact O-N 2.96Å; E173-R177 WeakPolarHBondContact O-CB 3.48Å; E173-R177 PolarHBondContact O-N 2.69Å |
| 174 | R | 67.8 | Low | 63.7 | Low | 114 Ų | 114 | 110.3 Ų | 110.3 | 43% | 0.43 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -68.2 | -48.3 | 176.9 | -163.2 | -170.4 | 70.4 | 66.8 | 8.2 | 111.8 | R170 E171 V172 R177 E178 | R170-R174 WeakPolarHBondContact O-CB 3.36Å; R170-R174 PolarHBondContact O-N 2.99Å; E171-R174 WeakPolarHBondContact O-CB 3.45Å; E171-R174 PolarHBondContact O-N 3.07Å; E171-R174 IonicContact OE1-CZ 3.42Å; E171-R174 IonicContact OE1-NE 3.3Å; E171-R174 PolarHBondContact OE1-NE 2.7Å; E171-R174 IonicContact OE1-NH2 2.72Å; E171-R174 PolarHBondContact OE1-NH2 3.37Å; E171-R174 IonicContact OE2-CZ 3.72Å; E171-R174 IonicContact OE2-NE 2.81Å; E171-R174 PolarHBondContact OE2-NE 3Å; E171-R174 IonicContact OE2-NH2 3.47Å; V172-R174 VanDerWaalsContact C-N 3.26Å; V172-R174 PolarHBondContact O-N 3.42Å; R174-R177 PolarHBondContact O-N 2.65Å; R174-E178 IonicContact CZ-OE2 2.72Å; R174-E178 IonicContact NH1-OE1 3.86Å; R174-E178 IonicContact NH1-OE2 3.77Å; R174-E178 PolarHBondContact NH1-OE2 3.02Å; R174-E178 IonicContact NH2-OE2 3.67Å; R174-E178 WeakPolarHBondContact O-CB 3.38Å; R174-E178 PolarHBondContact O-N 2.68Å |
| 175 | Q | 56.8 | Low | 63.1 | Low | 79 Ų | 79 | 108.8 Ų | 108.8 | 37% | 0.369 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.3 | -52.8 | -177.8 | -71.9 | 168.3 | 4.2 | 0 | 0 | 111.6 | E171 V172 R177 E178 E179 | E171-Q175 WeakPolarHBondContact O-CB 3.48Å; E171-Q175 VanDerWaalsContact O-CG 3.24Å; E171-Q175 WeakPolarHBondContact O-CG 3.49Å; E171-Q175 PolarHBondContact O-N 2.64Å; E171-Q175 PolarHBondContact OE1-NE2 3.33Å; V172-Q175 PolarHBondContact O-N 3.33Å; Q175-R177 PolarHBondContact O-N 2.72Å; Q175-R177 VanDerWaalsContact O-N 3.08Å; Q175-E178 CarbonylContact O-C 3.57Å; Q175-E178 WeakPolarHBondContact O-CA 3.26Å; Q175-E178 WeakPolarHBondContact O-CB 3.34Å; Q175-E178 PolarHBondContact O-N 3.04Å; Q175-E179 WeakPolarHBondContact O-CG 3.42Å; Q175-E179 PolarHBondContact O-N 3.36Å |
| 176 | S | 52.2 | Low | 62.8 | Low | 31 Ų | 31 | 108 Ų | 108 | 22% | 0.217 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -63.6 | -19.4 | 179.3 | 62.2 | 0 | 0 | 0 | 0 | 114.2 | V172 V182 | V172-S176 VanDerWaalsContact O-CB 3.32Å; V172-S176 WeakPolarHBondContact O-CB 3.39Å; V172-S176 PolarHBondContact O-N 3.04Å; V172-S176 PolarHBondContact O-OG 2.81Å; S176-V182 VanDerWaalsContact O-CG2 3.3Å; S176-V182 WeakPolarHBondContact O-CG2 3.48Å; S176-V182 PolarHBondContact O-N 3.43Å; S176-V182 WeakPolarHBondContact OG-CG2 3.45Å |
| 177 | R | 57.4 | Low | 62.7 | Low | 199 Ų | 199 | 104.9 Ų | 104.9 | 75% | 0.751 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -88.2 | -23.6 | 171 | -170.3 | 178.1 | -172.9 | -150.1 | 1.1 | 113.7 | E173 R174 Q175 | E173-R177 WeakPolarHBondContact O-CB 3.48Å; E173-R177 PolarHBondContact O-N 2.69Å; R174-R177 PolarHBondContact O-N 2.65Å; Q175-R177 PolarHBondContact O-N 2.72Å; Q175-R177 VanDerWaalsContact O-N 3.08Å |
| 178 | E | 54.8 | Low | 62.6 | Low | 141 Ų | 141 | 104.5 Ų | 104.5 | 66% | 0.659 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -82.6 | -34.5 | 174.3 | -175.3 | 161.8 | -134.9 | 0 | 0 | 111.6 | R174 Q175 G180 | R174-E178 IonicContact CZ-OE2 2.72Å; R174-E178 IonicContact NH1-OE1 3.86Å; R174-E178 IonicContact NH1-OE2 3.77Å; R174-E178 PolarHBondContact NH1-OE2 3.02Å; R174-E178 IonicContact NH2-OE2 3.67Å; R174-E178 WeakPolarHBondContact O-CB 3.38Å; R174-E178 PolarHBondContact O-N 2.68Å; Q175-E178 CarbonylContact O-C 3.57Å; Q175-E178 WeakPolarHBondContact O-CA 3.26Å; Q175-E178 WeakPolarHBondContact O-CB 3.34Å; Q175-E178 PolarHBondContact O-N 3.04Å; E178-G180 PolarHBondContact O-N 3.43Å |
| 179 | E | 54.3 | Low | 62.3 | Low | 133 Ų | 133 | 103.7 Ų | 103.7 | 62% | 0.621 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -76.3 | -7.1 | 175.7 | -67.4 | 168.4 | 145.4 | 0 | 0 | 113.2 | Q175 E181 | Q175-E179 WeakPolarHBondContact O-CG 3.42Å; Q175-E179 PolarHBondContact O-N 3.36Å; E179-E181 HydrophobicContact CB-CG 4.31Å; E179-E181 PolarHBondContact O-N 3.09Å; E179-E181 VanDerWaalsContact O-N 3.07Å |
| 180 | G | 55.8 | Low | 62.1 | Low | 30 Ų | 30 | 103 Ų | 103 | 31% | 0.309 | 52% | 0.515 | S | S | . | . | S | Bend | trans | 74 | -11.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | E178 V182 S183 M184 | E178-G180 PolarHBondContact O-N 3.43Å; G180-V182 VanDerWaalsContact C-N 3.31Å; G180-V182 PolarHBondContact O-N 2.66Å; G180-S183 WeakPolarHBondContact O-CA 3.48Å; G180-S183 WeakPolarHBondContact O-CB 3.44Å; G180-S183 PolarHBondContact O-N 2.93Å; G180-M184 PolarHBondContact O-N 3.12Å |
| 181 | E | 54.3 | Low | 61.9 | Low | 111 Ų | 111 | 99.7 Ų | 99.7 | 52% | 0.519 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -57.3 | -40.2 | -178.3 | -60.4 | -161.2 | 160.7 | 0 | 0 | 112.5 | E179 S183 M184 L185 | E179-E181 HydrophobicContact CB-CG 4.31Å; E179-E181 PolarHBondContact O-N 3.09Å; E179-E181 VanDerWaalsContact O-N 3.07Å; E181-S183 PolarHBondContact O-N 2.89Å; E181-M184 PolarHBondContact O-N 3.3Å; E181-L185 WeakPolarHBondContact O-CB 3.01Å; E181-L185 VanDerWaalsContact O-CG 3.31Å; E181-L185 WeakPolarHBondContact O-CG 3.48Å; E181-L185 PolarHBondContact O-N 3.4Å |
| 182 | V | 52.2 | Low | 61.7 | Low | 66 Ų | 66 | 103.5 Ų | 103.5 | 40% | 0.4 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -57.9 | -37 | 174.1 | 169.9 | 0 | 0 | 0 | 0 | 111.8 | S176 G180 M184 D186 | S176-V182 VanDerWaalsContact O-CG2 3.3Å; S176-V182 WeakPolarHBondContact O-CG2 3.48Å; S176-V182 PolarHBondContact O-N 3.43Å; S176-V182 WeakPolarHBondContact OG-CG2 3.45Å; G180-V182 VanDerWaalsContact C-N 3.31Å; G180-V182 PolarHBondContact O-N 2.66Å; V182-M184 VanDerWaalsContact C-N 3.32Å; V182-M184 PolarHBondContact O-N 3.38Å; V182-D186 VanDerWaalsContact O-CB 3.28Å; V182-D186 WeakPolarHBondContact O-CB 3.49Å; V182-D186 PolarHBondContact O-N 2.88Å |
| 183 | S | 62.3 | Low | 61.4 | Low | 91 Ų | 91 | 106.2 Ų | 106.2 | 64% | 0.636 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -73.1 | -24.4 | 178.4 | -168.9 | 0 | 0 | 0 | 0 | 113.3 | G180 E181 A187 | G180-S183 WeakPolarHBondContact O-CA 3.48Å; G180-S183 WeakPolarHBondContact O-CB 3.44Å; G180-S183 PolarHBondContact O-N 2.93Å; E181-S183 PolarHBondContact O-N 2.89Å; S183-A187 WeakPolarHBondContact O-CB 3.39Å |
| 184 | M | 60.9 | Low | 61.3 | Low | 124 Ų | 124 | 105.4 Ų | 105.4 | 61% | 0.611 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -84.6 | -39.5 | 174.1 | -64.1 | -165.1 | -63.8 | 0 | 0 | 111 | G180 E181 V182 A187 D188 | G180-M184 PolarHBondContact O-N 3.12Å; E181-M184 PolarHBondContact O-N 3.3Å; V182-M184 VanDerWaalsContact C-N 3.32Å; V182-M184 PolarHBondContact O-N 3.38Å; M184-A187 PolarHBondContact O-N 3.4Å; M184-D188 WeakPolarHBondContact O-CB 3.45Å; M184-D188 PolarHBondContact O-N 3.11Å |
| 185 | L | 61.3 | Low | 60.3 | Low | 110 Ų | 110 | 103 Ų | 103 | 58% | 0.576 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -67.1 | -36.2 | 177 | -69.9 | 170.4 | 0 | 0 | 0 | 112.7 | E181 L189 | E181-L185 WeakPolarHBondContact O-CB 3.01Å; E181-L185 VanDerWaalsContact O-CG 3.31Å; E181-L185 WeakPolarHBondContact O-CG 3.48Å; E181-L185 PolarHBondContact O-N 3.4Å; L185-L189 WeakPolarHBondContact O-CB 3.23Å; L185-L189 PolarHBondContact O-N 3.28Å |
| 186 | D | 62.6 | Low | 59.8 | Low | 110 Ų | 110 | 107.7 Ų | 107.7 | 59% | 0.588 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -70.5 | -34.9 | 174.1 | -158.4 | 43 | 0 | 0 | 0 | 111.1 | V182 E190 | V182-D186 VanDerWaalsContact O-CB 3.28Å; V182-D186 WeakPolarHBondContact O-CB 3.49Å; V182-D186 PolarHBondContact O-N 2.88Å; D186-E190 WeakPolarHBondContact O-CB 3.43Å; D186-E190 PolarHBondContact O-N 2.83Å |
| 187 | A | 71.5 | Confident | 59.3 | Low | 54 Ų | 54 | 108.7 Ų | 108.7 | 45% | 0.446 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -67.7 | -47.9 | 173 | 0 | 0 | 0 | 0 | 0 | 112.5 | S183 M184 L189 E190 D191 | S183-A187 WeakPolarHBondContact O-CB 3.39Å; M184-A187 PolarHBondContact O-N 3.4Å; A187-L189 VanDerWaalsContact C-N 3.29Å; A187-L189 PolarHBondContact O-N 2.97Å; A187-E190 PolarHBondContact O-N 2.94Å; A187-D191 PolarHBondContact O-N 3.2Å |
| 188 | D | 70.8 | Confident | 58.8 | Low | 117 Ų | 117 | 104.5 Ų | 104.5 | 63% | 0.626 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -61.2 | -37.8 | 174.4 | -90 | -0.5 | 0 | 0 | 0 | 111.5 | M184 Y192 | M184-D188 WeakPolarHBondContact O-CB 3.45Å; M184-D188 PolarHBondContact O-N 3.11Å; D188-Y192 WeakPolarHBondContact O-CB 3.2Å; D188-Y192 PolarHBondContact O-N 2.94Å |
| 189 | L | 67.4 | Low | 58.3 | Low | 95 Ų | 95 | 106.8 Ų | 106.8 | 50% | 0.497 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -66 | -43.1 | 173.9 | -179.6 | 62.2 | 0 | 0 | 0 | 111.4 | L185 A187 Y192 M193 | L185-L189 WeakPolarHBondContact O-CB 3.23Å; L185-L189 PolarHBondContact O-N 3.28Å; A187-L189 VanDerWaalsContact C-N 3.29Å; A187-L189 PolarHBondContact O-N 2.97Å; L189-Y192 PolarHBondContact O-N 2.88Å; L189-M193 HydrophobicContact CD1-CG 4.43Å; L189-M193 VanDerWaalsContact O-CB 3.32Å; L189-M193 WeakPolarHBondContact O-CB 3.26Å; L189-M193 WeakPolarHBondContact O-CG 3.24Å; L189-M193 PolarHBondContact O-N 3.19Å |
| 190 | E | 66.9 | Low | 57.7 | Low | 114 Ų | 114 | 107.2 Ų | 107.2 | 53% | 0.533 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -69.9 | -36.3 | 179.6 | -147.3 | -171.3 | -148.2 | 0 | 0 | 112 | D186 A187 M193 K194 | D186-E190 WeakPolarHBondContact O-CB 3.43Å; D186-E190 PolarHBondContact O-N 2.83Å; A187-E190 PolarHBondContact O-N 2.94Å; E190-M193 PolarHBondContact O-N 3.01Å; E190-K194 WeakPolarHBondContact O-CB 3.28Å; E190-K194 WeakPolarHBondContact O-CD 3.33Å; E190-K194 WeakPolarHBondContact O-CG 3.26Å; E190-K194 PolarHBondContact O-N 3.3Å; E190-K194 VanDerWaalsContact OE2-CE 3.27Å; E190-K194 WeakPolarHBondContact OE2-CE 3.48Å; E190-K194 IonicContact OE2-NZ 3.71Å; E190-K194 PolarHBondContact OE2-NZ 2.82Å |
| 191 | D | 71.7 | Confident | 57.3 | Low | 102 Ų | 102 | 118 Ų | 118 | 55% | 0.545 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -75.3 | -32.7 | 174 | -92.8 | 16.7 | 0 | 0 | 0 | 112.8 | A187 M193 K194 G195 | A187-D191 PolarHBondContact O-N 3.2Å; D191-M193 VanDerWaalsContact C-N 3.31Å; D191-M193 PolarHBondContact O-N 3.49Å; D191-K194 PolarHBondContact O-N 3.13Å; D191-K194 IonicContact OD1-NZ 3.58Å; D191-K194 PolarHBondContact OD1-NZ 2.87Å; D191-G195 WeakPolarHBondContact O-CA 3.38Å; D191-G195 PolarHBondContact O-N 3.33Å |
| 192 | Y | 65.3 | Low | 56.8 | Low | 150 Ų | 150 | 116.5 Ų | 116.5 | 59% | 0.588 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -63.8 | -37.1 | 167.5 | 178.8 | -110.2 | 0 | 0 | 0 | 111.8 | D188 L189 R196 | D188-Y192 WeakPolarHBondContact O-CB 3.2Å; D188-Y192 PolarHBondContact O-N 2.94Å; L189-Y192 PolarHBondContact O-N 2.88Å; Y192-R196 PolarHBondContact O-N 2.86Å |
| 193 | M | 59.4 | Low | 56.6 | Low | 134 Ų | 134 | 117.6 Ų | 117.6 | 66% | 0.66 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -69.3 | -43.1 | 174.5 | -72.1 | -96.1 | -80.5 | 0 | 0 | 112.4 | L189 E190 D191 | L189-M193 HydrophobicContact CD1-CG 4.43Å; L189-M193 VanDerWaalsContact O-CB 3.32Å; L189-M193 WeakPolarHBondContact O-CB 3.26Å; L189-M193 WeakPolarHBondContact O-CG 3.24Å; L189-M193 PolarHBondContact O-N 3.19Å; E190-M193 PolarHBondContact O-N 3.01Å; D191-M193 VanDerWaalsContact C-N 3.31Å; D191-M193 PolarHBondContact O-N 3.49Å |
| 194 | K | 61 | Low | 55.6 | Low | 109 Ų | 109 | 119 Ų | 119 | 47% | 0.474 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -70.7 | -43.6 | 176.9 | -70.8 | 162.5 | -166.3 | 150.3 | 0 | 112.5 | E190 D191 R196 G197 | E190-K194 WeakPolarHBondContact O-CB 3.28Å; E190-K194 WeakPolarHBondContact O-CD 3.33Å; E190-K194 WeakPolarHBondContact O-CG 3.26Å; E190-K194 PolarHBondContact O-N 3.3Å; E190-K194 VanDerWaalsContact OE2-CE 3.27Å; E190-K194 WeakPolarHBondContact OE2-CE 3.48Å; E190-K194 IonicContact OE2-NZ 3.71Å; E190-K194 PolarHBondContact OE2-NZ 2.82Å; D191-K194 PolarHBondContact O-N 3.13Å; D191-K194 IonicContact OD1-NZ 3.58Å; D191-K194 PolarHBondContact OD1-NZ 2.87Å; K194-R196 PolarHBondContact O-N 3.47Å; K194-G197 WeakPolarHBondContact O-CA 3.31Å; K194-G197 PolarHBondContact O-N 3.31Å |
| 195 | G | 47.3 | Very low | 55.1 | Low | 63 Ų | 63 | 116.2 Ų | 116.2 | 65% | 0.649 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -60.9 | -26.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | D191 | D191-G195 WeakPolarHBondContact O-CA 3.38Å; D191-G195 PolarHBondContact O-N 3.33Å |
| 196 | R | 47.5 | Very low | 54.9 | Low | 178 Ų | 178 | 116.2 Ų | 116.2 | 67% | 0.672 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | 1.3 | 172.1 | -74.3 | -73.7 | -65.7 | -75.6 | -3.9 | 114.8 | Y192 K194 | Y192-R196 PolarHBondContact O-N 2.86Å; K194-R196 PolarHBondContact O-N 3.47Å |
| 197 | G | 40.1 | Very low | 54.5 | Low | 51 Ų | 51 | 120.5 Ų | 120.5 | 53% | 0.526 | 67% | 0.673 | S | S | . | * | S | Bend | trans | -107.2 | -7.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | K194 | K194-G197 WeakPolarHBondContact O-CA 3.31Å; K194-G197 PolarHBondContact O-N 3.31Å |
| 198 | S | 47.1 | Very low | 54.1 | Low | 111 Ų | 111 | 126.5 Ų | 126.5 | 78% | 0.776 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -77.5 | -35.8 | -168.7 | -159.4 | 0 | 0 | 0 | 0 | 114.9 | ||
| 199 | E | 44.7 | Very low | 53.8 | Low | 190 Ų | 190 | 129 Ų | 129 | 89% | 0.888 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -106.2 | -30.2 | -174 | -61.3 | -167.1 | 118.1 | 0 | 0 | 114.2 | R201 | E199-R201 PolarHBondContact O-N 2.66Š|
| 200 | D | 41.6 | Very low | 54 | Low | 142 Ų | 142 | 133.7 Ų | 133.7 | 76% | 0.759 | 70% | 0.7 | S | S | * | * | trans | -99.6 | 88.6 | -174.4 | -106.4 | -29.6 | 0 | 0 | 0 | 113.8 | A202 | D200-A202 VanDerWaalsContact C-N 3.34Å; D200-A202 PolarHBondContact O-N 2.87Å | ||
| 201 | R | 47.9 | Very low | 54.3 | Low | 256 Ų | 256 | 132 Ų | 132 | 97% | 0.966 | 70% | 0.699 | S | S | * | * | trans | -68.5 | 75 | 171.2 | -74.2 | -177.1 | 171.2 | 178 | -0.9 | 113.4 | E199 | E199-R201 PolarHBondContact O-N 2.66Š| ||
| 202 | A | 44.5 | Very low | 54 | Low | 80 Ų | 80 | 129.2 Ų | 129.2 | 66% | 0.661 | 69% | 0.69 | S | S | * | * | trans | -162.2 | 23.8 | 164.5 | 0 | 0 | 0 | 0 | 0 | 118 | D200 C204 | D200-A202 VanDerWaalsContact C-N 3.34Å; D200-A202 PolarHBondContact O-N 2.87Å; A202-C204 PolarHBondContact O-N 3.33Å | ||
| 203 | G | 46.5 | Very low | 54.1 | Low | 89 Ų | 89 | 130.2 Ų | 130.2 | 92% | 0.918 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | -3.5 | -170.4 | 0 | 0 | 0 | 0 | 0 | 119 | ||
| 204 | C | 42.4 | Very low | 54.6 | Low | 120 Ų | 120 | 129 Ų | 129 | 81% | 0.811 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.9 | -2.9 | -167.8 | -156.9 | 0 | 0 | 0 | 0 | 115.3 | A202 | A202-C204 PolarHBondContact O-N 3.33Š|
| 205 | D | 50.8 | Low | 55 | Low | 65 Ų | 65 | 131.8 Ų | 131.8 | 35% | 0.348 | 70% | 0.701 | S | S | . | * | trans | -125.3 | 39.4 | -163.2 | -84 | -64.9 | 0 | 0 | 0 | 116.1 | K207 R208 | D205-K207 PolarHBondContact O-N 2.9Å; D205-R208 HydrophobicContact CB-CB 4.21Å; D205-R208 HydrophobicContact CB-CG 3.97Å; D205-R208 VanDerWaalsContact CG-CZ 3.4Å; D205-R208 PolarHBondContact O-N 3.16Å; D205-R208 WeakPolarHBondContact OD1-CD 3.38Å; D205-R208 WeakPolarHBondContact OD1-CG 3.31Å; D205-R208 IonicContact OD1-CZ 2.64Å; D205-R208 VanDerWaalsContact OD1-CZ 3.25Å; D205-R208 IonicContact OD1-NE 3.52Å; D205-R208 PolarHBondContact OD1-NE 3.41Å; D205-R208 IonicContact OD1-NH2 2.65Å; D205-R208 PolarHBondContact OD1-NH2 2.94Å; D205-R208 IonicContact OD2-CZ 3.39Å; D205-R208 IonicContact OD2-NE 3.89Å; D205-R208 PolarHBondContact OD2-NE 3.37Å; D205-R208 IonicContact OD2-NH1 3.86Å; D205-R208 IonicContact OD2-NH2 2.69Å; D205-R208 PolarHBondContact OD2-NH2 2.95Å | ||
| 206 | A | 55.5 | Low | 55.9 | Low | 110 Ų | 110 | 133 Ų | 133 | 91% | 0.909 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.2 | -13.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 207 | K | 55.3 | Low | 56.9 | Low | 201 Ų | 201 | 126.4 Ų | 126.4 | 87% | 0.874 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | -16.7 | 173.6 | -66.4 | -171.9 | -180 | 179.4 | 0 | 114.5 | D205 | D205-K207 PolarHBondContact O-N 2.9Š|
| 208 | R | 62.8 | Low | 58.4 | Low | 180 Ų | 180 | 129.9 Ų | 129.9 | 68% | 0.679 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -76.1 | 131.4 | 170.7 | -64.2 | -171.8 | -155.7 | 174.5 | 23 | 108.5 | D205 | D205-R208 HydrophobicContact CB-CB 4.21Å; D205-R208 HydrophobicContact CB-CG 3.97Å; D205-R208 VanDerWaalsContact CG-CZ 3.4Å; D205-R208 PolarHBondContact O-N 3.16Å; D205-R208 WeakPolarHBondContact OD1-CD 3.38Å; D205-R208 WeakPolarHBondContact OD1-CG 3.31Å; D205-R208 IonicContact OD1-CZ 2.64Å; D205-R208 VanDerWaalsContact OD1-CZ 3.25Å; D205-R208 IonicContact OD1-NE 3.52Å; D205-R208 PolarHBondContact OD1-NE 3.41Å; D205-R208 IonicContact OD1-NH2 2.65Å; D205-R208 PolarHBondContact OD1-NH2 2.94Å; D205-R208 IonicContact OD2-CZ 3.39Å; D205-R208 IonicContact OD2-NE 3.89Å; D205-R208 PolarHBondContact OD2-NE 3.37Å; D205-R208 IonicContact OD2-NH1 3.86Å; D205-R208 IonicContact OD2-NH2 2.69Å; D205-R208 PolarHBondContact OD2-NH2 2.95Å |
| 209 | K | 63.8 | Low | 59.6 | Low | 168 Ų | 168 | 130.6 Ų | 130.6 | 73% | 0.73 | 68% | 0.682 | S | S | * | * | trans | -64.3 | 138.7 | 164.9 | -54.7 | -57.3 | -177.5 | -175.5 | 0 | 107.1 | ||||
| 210 | R | 73.1 | Confident | 61 | Low | 194 Ų | 194 | 123.1 Ų | 123.1 | 73% | 0.732 | 65% | 0.653 | S | S | * | * | trans | -45.2 | 142 | 168.7 | -68.5 | 179.8 | -174.1 | 150 | 0.4 | 109.5 | D214 R215 | R210-D214 HydrophobicContact CB-CB 4.43Å; R210-R215 HydrophobicContact CB-CG 3.84Å; R210-R215 WeakPolarHBondContact O-CD 3.49Å; R210-R215 WeakPolarHBondContact O-CG 3.48Å | ||
| 211 | P | 72.4 | Confident | 62.8 | Low | 80 Ų | 80 | 121.7 Ų | 121.7 | 52% | 0.519 | 64% | 0.641 | S | S | . | * | trans | -58.8 | 155.2 | -175.9 | 26.9 | -34.5 | 0 | 0 | 0 | 110.5 | K213 D214 R215 | P211-K213 PolarHBondContact O-N 3.48Å; P211-K213 VanDerWaalsContact O-N 3.11Å; P211-D214 WeakPolarHBondContact CD-OD2 3.36Å; P211-D214 HydrophobicContact CG-CB 4.33Å; P211-D214 WeakPolarHBondContact CG-OD2 3.33Å; P211-D214 PolarHBondContact O-N 3.43Å; P211-D214 VanDerWaalsContact O-N 3.16Å; P211-R215 PolarHBondContact O-N 3.25Å | ||
| 212 | A | 65.9 | Low | 64.3 | Low | 42 Ų | 42 | 110.4 Ų | 110.4 | 35% | 0.347 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -56.6 | -36.3 | -166.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | R215 I216 R290 | A212-R215 PolarHBondContact O-N 3.48Å; A212-I216 HydrophobicContact CB-CD1 4.41Å; A212-I216 VanDerWaalsContact O-CD1 3.29Å; A212-I216 WeakPolarHBondContact O-CD1 3.25Å; A212-I216 WeakPolarHBondContact O-CG1 3.19Å; A212-I216 PolarHBondContact O-N 3.05Å; A212-R290 HydrophobicContact CB-CB 4.47Å |
| 213 | K | 66.6 | Low | 66.2 | Low | 171 Ų | 171 | 110 Ų | 110 | 74% | 0.743 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -56.3 | -56.2 | 177.1 | -162.3 | 174.3 | -177.9 | -177.7 | 0 | 111.6 | P211 R215 I216 G217 | P211-K213 PolarHBondContact O-N 3.48Å; P211-K213 VanDerWaalsContact O-N 3.11Å; K213-R215 PolarHBondContact O-N 3.34Å; K213-R215 VanDerWaalsContact O-N 3.13Å; K213-I216 PolarHBondContact O-N 3.43Å; K213-I216 VanDerWaalsContact O-N 3.09Å; K213-G217 PolarHBondContact O-N 3.09Å |
| 214 | D | 69.3 | Low | 67.6 | Low | 109 Ų | 109 | 109.3 Ų | 109.3 | 58% | 0.583 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -66 | -16.7 | -178.6 | -47.3 | 4.5 | 0 | 0 | 0 | 113.7 | R210 P211 | R210-D214 HydrophobicContact CB-CB 4.43Å; P211-D214 WeakPolarHBondContact CD-OD2 3.36Å; P211-D214 HydrophobicContact CG-CB 4.33Å; P211-D214 WeakPolarHBondContact CG-OD2 3.33Å; P211-D214 PolarHBondContact O-N 3.43Å; P211-D214 VanDerWaalsContact O-N 3.16Å |
| 215 | R | 71.1 | Confident | 69.1 | Low | 167 Ų | 167 | 112.5 Ų | 112.5 | 63% | 0.63 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -89.8 | -19.4 | 176.2 | -74.7 | -178 | 56.8 | -157.6 | -7.8 | 114.2 | R210 P211 A212 K213 | R210-R215 HydrophobicContact CB-CG 3.84Å; R210-R215 WeakPolarHBondContact O-CD 3.49Å; R210-R215 WeakPolarHBondContact O-CG 3.48Å; P211-R215 PolarHBondContact O-N 3.25Å; A212-R215 PolarHBondContact O-N 3.48Å; K213-R215 PolarHBondContact O-N 3.34Å; K213-R215 VanDerWaalsContact O-N 3.13Å |
| 216 | I | 65.6 | Low | 70.4 | Confident | 89 Ų | 89 | 110.5 Ų | 110.5 | 46% | 0.456 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -108.9 | -27.7 | -172.1 | -63.5 | 166.4 | 0 | 0 | 0 | 110.4 | A212 K213 R290 | A212-I216 HydrophobicContact CB-CD1 4.41Å; A212-I216 VanDerWaalsContact O-CD1 3.29Å; A212-I216 WeakPolarHBondContact O-CD1 3.25Å; A212-I216 WeakPolarHBondContact O-CG1 3.19Å; A212-I216 PolarHBondContact O-N 3.05Å; K213-I216 PolarHBondContact O-N 3.43Å; K213-I216 VanDerWaalsContact O-N 3.09Å; I216-R290 HydrophobicContact CD1-CB 3.8Å; I216-R290 HydrophobicContact CD1-CG 4.32Å |
| 217 | G | 67.5 | Low | 71.3 | Confident | 39 Ų | 39 | 110.9 Ų | 110.9 | 40% | 0.402 | 53% | 0.534 | S | S | . | . | trans | 89 | -158.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | K213 | K213-G217 PolarHBondContact O-N 3.09Š| ||
| 218 | P | 71.9 | Confident | 72.3 | Confident | 125 Ų | 125 | 109.2 Ų | 109.2 | 81% | 0.812 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -55.3 | 152.4 | 171.2 | -23.9 | 35.1 | 0 | 0 | 0 | 111.9 | A220 | P218-A220 PolarHBondContact O-N 2.93Š|
| 219 | K | 72.2 | Confident | 73 | Confident | 125 Ų | 125 | 109.1 Ų | 109.1 | 54% | 0.543 | 53% | 0.53 | S | S | . | . | trans | -67.6 | 114.9 | 174.3 | -178.6 | -175.7 | 166 | -149 | 0 | 108.4 | E221 | K219-E221 HydrophobicContact CB-CG 4.49Å; K219-E221 HydrophobicContact CD-CG 3.91Å; K219-E221 VanDerWaalsContact CD-OE1 3.26Å; K219-E221 WeakPolarHBondContact CD-OE1 3.35Å; K219-E221 VanDerWaalsContact CE-OE1 3.23Å; K219-E221 WeakPolarHBondContact CE-OE1 3.46Å; K219-E221 HydrophobicContact CG-CG 3.87Å; K219-E221 IonicContact NZ-OE1 3.38Å; K219-E221 PolarHBondContact NZ-OE1 3.3Å; K219-E221 PolarHBondContact O-N 3.39Å | ||
| 220 | A | 74.8 | Confident | 73.8 | Confident | 34 Ų | 34 | 102.5 Ų | 102.5 | 28% | 0.281 | 50% | 0.503 | S | S | . | . | trans | -67.9 | 118.7 | 164.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | P218 T293 | P218-A220 PolarHBondContact O-N 2.93Å; A220-T293 HydrophobicContact CB-CG2 4.3Å | ||
| 221 | E | 78.4 | Confident | 74.2 | Confident | 112 Ų | 112 | 96.9 Ų | 96.9 | 52% | 0.523 | 49% | 0.49 | S | S | . | . | trans | -112.5 | 130 | 178.1 | -59.9 | -167.2 | 155.2 | 0 | 0 | 108.2 | K219 Q248 | K219-E221 HydrophobicContact CB-CG 4.49Å; K219-E221 HydrophobicContact CD-CG 3.91Å; K219-E221 VanDerWaalsContact CD-OE1 3.26Å; K219-E221 WeakPolarHBondContact CD-OE1 3.35Å; K219-E221 VanDerWaalsContact CE-OE1 3.23Å; K219-E221 WeakPolarHBondContact CE-OE1 3.46Å; K219-E221 HydrophobicContact CG-CG 3.87Å; K219-E221 IonicContact NZ-OE1 3.38Å; K219-E221 PolarHBondContact NZ-OE1 3.3Å; K219-E221 PolarHBondContact O-N 3.39Å; E221-Q248 PolarHBondContact O-NE2 3.07Å | ||
| 222 | M | 80.9 | Confident | 74.7 | Confident | 18 Ų | 18 | 96.9 Ų | 96.9 | 9% | 0.089 | 48% | 0.483 | C | S | . | . | trans | -75.4 | 137.6 | -180 | 161.7 | 163.9 | 65.3 | 0 | 0 | 111.3 | I224 R246 L247 T274 A275 E278 P294 | M222-I224 VanDerWaalsContact C-N 3.3Å; M222-I224 PolarHBondContact O-N 3.01Å; M222-R246 WeakPolarHBondContact CA-O 3.38Å; M222-R246 WeakPolarHBondContact CB-O 3.45Å; M222-R246 HydrophobicContact CG-CB 4.41Å; M222-R246 WeakPolarHBondContact CG-O 3.48Å; M222-R246 HydrophobicContact SD-CB 4.45Å; M222-L247 HydrophobicContact SD-CD2 3.97Å; M222-T274 HydrophobicContact CE-CG2 4.03Å; M222-T274 HydrophobicContact SD-CG2 4.44Å; M222-A275 HydrophobicContact CE-CB 4.26Å; M222-E278 HydrophobicContact CE-CB 3.81Å; M222-E278 HydrophobicContact CE-CG 3.92Å; M222-P294 HydrophobicContact CB-CB 3.75Å; M222-P294 HydrophobicContact CB-CG 3.96Å; M222-P294 HydrophobicContact CE-CB 4.48Å; M222-P294 HydrophobicContact SD-CB 4.36Å | ||
| 223 | D | 82.6 | Confident | 75.5 | Confident | 71 Ų | 71 | 101.8 Ų | 101.8 | 38% | 0.38 | 50% | 0.503 | S | S | . | . | trans | -70.7 | 86.5 | 166 | -79.8 | -50.8 | 0 | 0 | 0 | 109.7 | K225 G226 Y245 | D223-K225 PolarHBondContact O-N 3.14Å; D223-K225 VanDerWaalsContact O-N 3.12Å; D223-G226 PolarHBondContact O-N 3.19Å; D223-Y245 HydrophobicContact CB-CE1 4.39Å | ||
| 224 | I | 77.3 | Confident | 76.5 | Confident | 76 Ų | 76 | 95.6 Ų | 95.6 | 39% | 0.39 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | -39.5 | -177.5 | -62.6 | 164.7 | 0 | 0 | 0 | 111.7 | M222 R246 E279 | M222-I224 VanDerWaalsContact C-N 3.3Å; M222-I224 PolarHBondContact O-N 3.01Å; I224-R246 PolarHBondContact O-NH1 3.24Å; I224-E279 HydrophobicContact CD1-CG 3.8Å |
| 225 | K | 73.9 | Confident | 77.6 | Confident | 186 Ų | 186 | 93.4 Ų | 93.4 | 81% | 0.809 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -25.1 | 179 | -62.8 | -174.8 | 178.5 | -176.7 | 0 | 113.8 | D223 R246 | D223-K225 PolarHBondContact O-N 3.14Å; D223-K225 VanDerWaalsContact O-N 3.12Å; K225-R246 PolarHBondContact O-NH2 3.05Å |
| 226 | G | 76.9 | Confident | 78.5 | Confident | 23 Ų | 23 | 89 Ų | 89 | 24% | 0.237 | 46% | 0.459 | C | S | . | . | trans | 56.6 | -159.4 | -168.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | D223 E242 | D223-G226 PolarHBondContact O-N 3.19Å; G226-E242 WeakPolarHBondContact CA-OE1 3.29Å | ||
| 227 | R | 74.5 | Confident | 79.8 | Confident | 119 Ų | 119 | 90.4 Ų | 90.4 | 45% | 0.449 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -101 | -27.1 | 173.6 | -60.6 | 168.9 | -60.2 | -178.1 | 5.8 | 112.3 | E242 Y245 | R227-E242 IonicContact CZ-OE2 2.61Å; R227-E242 VanDerWaalsContact CZ-OE2 3.29Å; R227-E242 PolarHBondContact N-OE1 2.87Å; R227-E242 IonicContact NE-OE2 2.99Å; R227-E242 PolarHBondContact NE-OE2 3.03Å; R227-E242 IonicContact NH2-OE2 2.59Å; R227-E242 PolarHBondContact NH2-OE2 3.22Å; R227-Y245 HydrophobicContact CG-CD1 4.02Å; R227-Y245 HydrophobicContact CG-CE1 3.54Å; R227-Y245 VanDerWaalsContact CZ-CG 3.5Å |
| 228 | Y | 77.8 | Confident | 81 | Confident | 166 Ų | 166 | 94.7 Ų | 94.7 | 65% | 0.651 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -139.5 | 152.8 | -176.9 | -55.5 | -72.1 | 0 | 0 | 0 | 111.5 | R246 | Y228-R246 PolarHBondContact O-NH2 3.09Š|
| 229 | E | 76.2 | Confident | 81.9 | Confident | 177 Ų | 177 | 88.7 Ų | 88.7 | 83% | 0.827 | 44% | 0.436 | S | S | * | . | trans | -84.1 | 115.4 | 166.6 | -67 | 178.2 | -175.9 | 0 | 0 | 108.3 | ||||
| 230 | I | 80.4 | Confident | 82.9 | Confident | 29 Ų | 29 | 83.2 Ų | 83.2 | 15% | 0.149 | 41% | 0.413 | C | S | . | . | trans | -83.3 | 123.1 | -174.4 | -49 | 178 | 0 | 0 | 0 | 109.4 | V239 E242 I243 I268 L271 | I230-V239 HydrophobicContact CG2-CB 4.21Å; I230-V239 HydrophobicContact CG2-CG1 4.04Å; I230-V239 HydrophobicContact CG2-CG2 3.76Å; I230-E242 HydrophobicContact CD1-CB 3.84Å; I230-E242 HydrophobicContact CD1-CG 3.77Å; I230-E242 HydrophobicContact CG1-CB 4.13Å; I230-E242 HydrophobicContact CG1-CG 3.82Å; I230-I243 HydrophobicContact CD1-CG1 4.07Å; I230-I268 HydrophobicContact CG2-CD1 3.81Å; I230-I268 HydrophobicContact CG2-CG1 4.05Å; I230-L271 HydrophobicContact CD1-CD2 3.82Å | ||
| 231 | T | 82.9 | Confident | 83.8 | Confident | 77 Ų | 77 | 86 Ų | 86 | 47% | 0.472 | 42% | 0.421 | S | S | . | . | trans | -102.7 | 157.3 | 173.7 | -47.8 | 0 | 0 | 0 | 0 | 110.7 | D233 D234 | T231-D233 PolarHBondContact O-N 3.36Å; T231-D234 PolarHBondContact N-OD2 3.09Å; T231-D234 PolarHBondContact O-N 3.34Å | ||
| 232 | E | 83.1 | Confident | 84.4 | Confident | 80 Ų | 80 | 80.9 Ų | 80.9 | 37% | 0.374 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -26.2 | 178.6 | -60 | -176 | 134.2 | 0 | 0 | 113.1 | K264 K265 I268 | E232-K264 VanDerWaalsContact O-CE 3.28Å; E232-K264 WeakPolarHBondContact O-CE 3.4Å; E232-K264 PolarHBondContact O-NZ 2.86Å; E232-K265 HydrophobicContact CG-CG 4.26Å; E232-K265 WeakPolarHBondContact OE1-CB 3.47Å; E232-K265 WeakPolarHBondContact OE1-CD 3.36Å; E232-K265 WeakPolarHBondContact OE1-CG 3.4Å; E232-K265 IonicContact OE1-NZ 3.86Å; E232-K265 PolarHBondContact OE1-NZ 2.81Å; E232-K265 IonicContact OE2-NZ 3.1Å; E232-K265 PolarHBondContact OE2-NZ 2.88Å; E232-I268 HydrophobicContact CG-CD1 4.45Å |
| 233 | D | 81.8 | Confident | 84.9 | Confident | 144 Ų | 144 | 80 Ų | 80 | 77% | 0.77 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -12.6 | -178.2 | -58.4 | -61.1 | 0 | 0 | 0 | 113.9 | T231 | T231-D233 PolarHBondContact O-N 3.36Š|
| 234 | D | 88.3 | Confident | 85.4 | Confident | 42 Ų | 42 | 76.9 Ų | 76.9 | 23% | 0.225 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -61.9 | 148.6 | 177.4 | -85.7 | -67.2 | 0 | 0 | 0 | 112.2 | T231 D236 V239 K264 | T231-D234 PolarHBondContact N-OD2 3.09Å; T231-D234 PolarHBondContact O-N 3.34Å; D234-D236 PolarHBondContact O-N 3.32Å; D234-V239 HydrophobicContact CB-CG2 3.86Å; D234-K264 WeakPolarHBondContact O-CD 3.4Å; D234-K264 PolarHBondContact O-NZ 2.89Å |
| 235 | P | 91.1 | Very high | 86.1 | Confident | 62 Ų | 62 | 77.7 Ų | 77.7 | 40% | 0.403 | 38% | 0.375 | S | S | . | . | trans | -63.1 | 138.1 | 175.1 | 27.5 | -35.2 | 0 | 0 | 0 | 110.9 | D237 K238 V239 | P235-D237 PolarHBondContact O-N 2.83Å; P235-D237 VanDerWaalsContact O-N 3.08Å; P235-K238 HydrophobicContact CG-CB 4.3Å; P235-K238 HydrophobicContact CG-CD 3.75Å; P235-K238 HydrophobicContact CG-CG 3.88Å; P235-K238 PolarHBondContact O-N 3.16Å; P235-V239 PolarHBondContact O-N 3.26Å | ||
| 236 | D | 91.1 | Very high | 86.9 | Confident | 76 Ų | 76 | 70.4 Ų | 70.4 | 41% | 0.406 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -50.4 | -39.2 | -171.7 | -65.4 | 34.6 | 0 | 0 | 0 | 112.8 | D234 K238 V239 V240 V259 K264 | D234-D236 PolarHBondContact O-N 3.32Å; D236-K238 PolarHBondContact O-N 3.11Å; D236-V239 WeakPolarHBondContact O-CB 3.46Å; D236-V239 PolarHBondContact O-N 3.13Å; D236-V240 WeakPolarHBondContact O-CB 3.24Å; D236-V240 VanDerWaalsContact O-CG2 3.25Å; D236-V240 WeakPolarHBondContact O-CG2 3.46Å; D236-V240 PolarHBondContact O-N 3.28Å; D236-V259 HydrophobicContact CB-CG1 4.42Å; D236-K264 VanDerWaalsContact OD1-CD 3.29Å; D236-K264 WeakPolarHBondContact OD1-CD 3.41Å; D236-K264 WeakPolarHBondContact OD1-CE 3.36Å; D236-K264 IonicContact OD1-NZ 3.47Å; D236-K264 PolarHBondContact OD1-NZ 2.9Å |
| 237 | D | 92 | Very high | 87.6 | Confident | 118 Ų | 118 | 69.5 Ų | 69.5 | 63% | 0.631 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -57.4 | -44.8 | 177.3 | -53.5 | -44.4 | 0 | 0 | 0 | 112.8 | P235 V240 E241 | P235-D237 PolarHBondContact O-N 2.83Å; P235-D237 VanDerWaalsContact O-N 3.08Å; D237-V240 PolarHBondContact O-N 2.85Å; D237-E241 WeakPolarHBondContact O-CB 3.32Å; D237-E241 VanDerWaalsContact O-CG 3.25Å; D237-E241 WeakPolarHBondContact O-CG 3.47Å; D237-E241 PolarHBondContact O-N 2.91Å |
| 238 | K | 91.9 | Very high | 88.2 | Confident | 128 Ų | 128 | 68.5 Ų | 68.5 | 56% | 0.557 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -67.3 | -39.9 | 178.1 | -70.4 | -175.1 | -167.1 | 173.9 | 0 | 111.5 | P235 D236 V240 E241 E242 | P235-K238 HydrophobicContact CG-CB 4.3Å; P235-K238 HydrophobicContact CG-CD 3.75Å; P235-K238 HydrophobicContact CG-CG 3.88Å; P235-K238 PolarHBondContact O-N 3.16Å; D236-K238 PolarHBondContact O-N 3.11Å; K238-V240 VanDerWaalsContact C-N 3.31Å; K238-V240 PolarHBondContact O-N 3.24Å; K238-E241 PolarHBondContact O-N 2.94Å; K238-E242 WeakPolarHBondContact O-CB 3.45Å; K238-E242 PolarHBondContact O-N 3.42Å |
| 239 | V | 91.7 | Very high | 88.7 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.8 | -45.7 | 176 | 177.6 | 0 | 0 | 0 | 0 | 109.5 | I230 D234 P235 D236 I243 V259 K264 I268 | I230-V239 HydrophobicContact CG2-CB 4.21Å; I230-V239 HydrophobicContact CG2-CG1 4.04Å; I230-V239 HydrophobicContact CG2-CG2 3.76Å; D234-V239 HydrophobicContact CB-CG2 3.86Å; P235-V239 PolarHBondContact O-N 3.26Å; D236-V239 WeakPolarHBondContact O-CB 3.46Å; D236-V239 PolarHBondContact O-N 3.13Å; V239-I243 HydrophobicContact CG1-CD1 3.72Å; V239-I243 WeakPolarHBondContact O-CB 3.5Å; V239-I243 WeakPolarHBondContact O-CD1 3.4Å; V239-I243 WeakPolarHBondContact O-CG1 3.18Å; V239-I243 PolarHBondContact O-N 2.84Å; V239-V259 HydrophobicContact CG1-CG2 4.42Å; V239-K264 HydrophobicContact CG1-CG 4.39Å; V239-K264 HydrophobicContact CG2-CD 3.89Å; V239-K264 HydrophobicContact CG2-CG 4.38Å; V239-I268 HydrophobicContact CG1-CG1 4.37Å |
| 240 | V | 93.7 | Very high | 89.2 | Confident | 10 Ų | 10 | 59.6 Ų | 59.6 | 6% | 0.061 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.1 | -46.8 | 176.2 | 169.8 | 0 | 0 | 0 | 0 | 111.9 | D236 D237 K238 E242 A244 I255 E256 V259 | D236-V240 WeakPolarHBondContact O-CB 3.24Å; D236-V240 VanDerWaalsContact O-CG2 3.25Å; D236-V240 WeakPolarHBondContact O-CG2 3.46Å; D236-V240 PolarHBondContact O-N 3.28Å; D237-V240 PolarHBondContact O-N 2.85Å; K238-V240 VanDerWaalsContact C-N 3.31Å; K238-V240 PolarHBondContact O-N 3.24Å; V240-E242 VanDerWaalsContact C-N 3.35Å; V240-E242 PolarHBondContact O-N 3.43Å; V240-A244 WeakPolarHBondContact O-CB 3.19Å; V240-A244 PolarHBondContact O-N 3.25Å; V240-I255 HydrophobicContact CG1-CB 4.25Å; V240-I255 HydrophobicContact CG1-CG2 4.18Å; V240-E256 HydrophobicContact CG1-CB 3.98Å; V240-E256 HydrophobicContact CG2-CB 4.26Å; V240-V259 HydrophobicContact CG2-CB 3.88Å; V240-V259 HydrophobicContact CG2-CG1 4.31Å; V240-V259 HydrophobicContact CG2-CG2 3.69Å |
| 241 | E | 92.6 | Very high | 89.7 | Confident | 92 Ų | 92 | 62.2 Ų | 62.2 | 43% | 0.43 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.4 | -40.8 | 179.4 | -73.6 | -129.8 | 116.2 | 0 | 0 | 112.6 | D237 K238 Y245 K252 | D237-E241 WeakPolarHBondContact O-CB 3.32Å; D237-E241 VanDerWaalsContact O-CG 3.25Å; D237-E241 WeakPolarHBondContact O-CG 3.47Å; D237-E241 PolarHBondContact O-N 2.91Å; K238-E241 PolarHBondContact O-N 2.94Å; E241-Y245 VanDerWaalsContact O-CB 3.26Å; E241-Y245 WeakPolarHBondContact O-CB 3.35Å; E241-Y245 PolarHBondContact O-N 3.44Å; E241-K252 IonicContact OE1-NZ 3.71Å; E241-K252 PolarHBondContact OE1-NZ 2.88Å |
| 242 | E | 91.2 | Very high | 90.1 | Very high | 4 Ų | 4 | 63.7 Ų | 63.7 | 2% | 0.019 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -79.8 | -35.1 | -177.7 | -171 | 57.1 | -159.6 | 0 | 0 | 112.5 | G226 R227 I230 K238 V240 Y245 R246 | G226-E242 WeakPolarHBondContact CA-OE1 3.29Å; R227-E242 IonicContact CZ-OE2 2.61Å; R227-E242 VanDerWaalsContact CZ-OE2 3.29Å; R227-E242 PolarHBondContact N-OE1 2.87Å; R227-E242 IonicContact NE-OE2 2.99Å; R227-E242 PolarHBondContact NE-OE2 3.03Å; R227-E242 IonicContact NH2-OE2 2.59Å; R227-E242 PolarHBondContact NH2-OE2 3.22Å; I230-E242 HydrophobicContact CD1-CB 3.84Å; I230-E242 HydrophobicContact CD1-CG 3.77Å; I230-E242 HydrophobicContact CG1-CB 4.13Å; I230-E242 HydrophobicContact CG1-CG 3.82Å; K238-E242 WeakPolarHBondContact O-CB 3.45Å; K238-E242 PolarHBondContact O-N 3.42Å; V240-E242 VanDerWaalsContact C-N 3.35Å; V240-E242 PolarHBondContact O-N 3.43Å; E242-Y245 PolarHBondContact O-N 2.96Å; E242-R246 WeakPolarHBondContact O-CB 3.21Å; E242-R246 WeakPolarHBondContact O-CG 3.14Å; E242-R246 PolarHBondContact O-N 2.77Å; E242-R246 IonicContact OE1-NE 2.68Å; E242-R246 PolarHBondContact OE1-NE 3.36Å |
| 243 | I | 92 | Very high | 90.6 | Very high | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.7 | -48.3 | 167.4 | -69.3 | 166.2 | 0 | 0 | 0 | 110.1 | I230 V239 Y245 R246 L247 I255 V259 A267 L271 F298 | I230-I243 HydrophobicContact CD1-CG1 4.07Å; V239-I243 HydrophobicContact CG1-CD1 3.72Å; V239-I243 WeakPolarHBondContact O-CB 3.5Å; V239-I243 WeakPolarHBondContact O-CD1 3.4Å; V239-I243 WeakPolarHBondContact O-CG1 3.18Å; V239-I243 PolarHBondContact O-N 2.84Å; I243-Y245 VanDerWaalsContact C-N 3.33Å; I243-Y245 PolarHBondContact O-N 3.06Å; I243-R246 PolarHBondContact O-N 3.46Å; I243-L247 HydrophobicContact CG2-CD1 3.58Å; I243-L247 HydrophobicContact CG2-CG 4.26Å; I243-L247 WeakPolarHBondContact O-CB 3.46Å; I243-L247 VanDerWaalsContact O-CG 3.26Å; I243-L247 WeakPolarHBondContact O-CG 3.37Å; I243-L247 PolarHBondContact O-N 2.95Å; I243-I255 HydrophobicContact CB-CG2 3.85Å; I243-I255 HydrophobicContact CG2-CD1 4.42Å; I243-I255 HydrophobicContact CG2-CG2 3.49Å; I243-I255 VanDerWaalsContact CG2-CG2 3.49Å; I243-V259 HydrophobicContact CD1-CG2 4.18Å; I243-A267 HydrophobicContact CD1-CB 4Å; I243-L271 HydrophobicContact CG1-CD2 4.12Å; I243-F298 HydrophobicContact CG2-CE2 4.46Å; I243-F298 HydrophobicContact CG2-CZ 4.29Å |
| 244 | A | 93.4 | Very high | 91.2 | Very high | 5 Ų | 5 | 57.5 Ų | 57.5 | 4% | 0.041 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.3 | -36.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | V240 Q248 E249 K252 I255 | V240-A244 WeakPolarHBondContact O-CB 3.19Å; V240-A244 PolarHBondContact O-N 3.25Å; A244-Q248 PolarHBondContact O-N 3.34Å; A244-Q248 VanDerWaalsContact O-N 3.13Å; A244-E249 PolarHBondContact O-N 3.45Å; A244-K252 HydrophobicContact CB-CG 4.05Å; A244-I255 HydrophobicContact CB-CG1 4.3Å |
| 245 | Y | 91.7 | Very high | 91.4 | Very high | 93 Ų | 93 | 55.6 Ų | 55.6 | 37% | 0.365 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64.5 | -55.4 | 174.4 | 179.3 | -101.5 | 0 | 0 | 0 | 111.8 | D223 R227 E241 E242 I243 L247 Q248 | D223-Y245 HydrophobicContact CB-CE1 4.39Å; R227-Y245 HydrophobicContact CG-CD1 4.02Å; R227-Y245 HydrophobicContact CG-CE1 3.54Å; R227-Y245 VanDerWaalsContact CZ-CG 3.5Å; E241-Y245 VanDerWaalsContact O-CB 3.26Å; E241-Y245 WeakPolarHBondContact O-CB 3.35Å; E241-Y245 PolarHBondContact O-N 3.44Å; E242-Y245 PolarHBondContact O-N 2.96Å; I243-Y245 VanDerWaalsContact C-N 3.33Å; I243-Y245 PolarHBondContact O-N 3.06Å; Y245-L247 VanDerWaalsContact C-N 3.34Å; Y245-L247 PolarHBondContact O-N 3.34Å; Y245-Q248 PolarHBondContact O-N 3.07Å |
| 246 | R | 90.9 | Very high | 91.6 | Very high | 34 Ų | 34 | 57 Ų | 57 | 13% | 0.128 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -57.2 | -44.9 | 179.6 | -71.5 | 176.1 | 176 | -139.6 | 2.4 | 112 | M222 I224 K225 Y228 E242 I243 Q248 L271 | M222-R246 WeakPolarHBondContact CA-O 3.38Å; M222-R246 WeakPolarHBondContact CB-O 3.45Å; M222-R246 HydrophobicContact CG-CB 4.41Å; M222-R246 WeakPolarHBondContact CG-O 3.48Å; M222-R246 HydrophobicContact SD-CB 4.45Å; I224-R246 PolarHBondContact O-NH1 3.24Å; K225-R246 PolarHBondContact O-NH2 3.05Å; Y228-R246 PolarHBondContact O-NH2 3.09Å; E242-R246 WeakPolarHBondContact O-CB 3.21Å; E242-R246 WeakPolarHBondContact O-CG 3.14Å; E242-R246 PolarHBondContact O-N 2.77Å; E242-R246 IonicContact OE1-NE 2.68Å; E242-R246 PolarHBondContact OE1-NE 3.36Å; I243-R246 PolarHBondContact O-N 3.46Å; R246-Q248 PolarHBondContact O-N 3.17Å; R246-L271 HydrophobicContact CB-CD1 4.32Å |
| 247 | L | 90.5 | Very high | 91.7 | Very high | 3 Ų | 3 | 54.8 Ų | 54.8 | 2% | 0.016 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -7.1 | 179.6 | -62.1 | 178 | 0 | 0 | 0 | 114.2 | M222 I243 Y245 E249 I255 L271 T274 P294 F298 | M222-L247 HydrophobicContact SD-CD2 3.97Å; I243-L247 HydrophobicContact CG2-CD1 3.58Å; I243-L247 HydrophobicContact CG2-CG 4.26Å; I243-L247 WeakPolarHBondContact O-CB 3.46Å; I243-L247 VanDerWaalsContact O-CG 3.26Å; I243-L247 WeakPolarHBondContact O-CG 3.37Å; I243-L247 PolarHBondContact O-N 2.95Å; Y245-L247 VanDerWaalsContact C-N 3.34Å; Y245-L247 PolarHBondContact O-N 3.34Å; L247-E249 HydrophobicContact CB-CB 4.46Å; L247-E249 HydrophobicContact CB-CG 3.92Å; L247-E249 PolarHBondContact O-N 2.83Å; L247-I255 HydrophobicContact CD1-CD1 4.32Å; L247-L271 HydrophobicContact CD2-CD1 4.18Å; L247-L271 HydrophobicContact CG-CD1 4.27Å; L247-T274 HydrophobicContact CD2-CG2 3.84Å; L247-P294 HydrophobicContact CD2-CB 4.38Å; L247-F298 HydrophobicContact CD1-CB 3.75Å; L247-F298 HydrophobicContact CD1-CD1 3.73Å; L247-F298 HydrophobicContact CD1-CD2 3.91Å; L247-F298 HydrophobicContact CD1-CE1 4.27Å; L247-F298 HydrophobicContact CD1-CE2 4.42Å; L247-F298 HydrophobicContact CD1-CG 3.53Å; L247-F298 HydrophobicContact CD2-CB 4.01Å; L247-F298 HydrophobicContact CD2-CG 4.49Å |
| 248 | Q | 88.1 | Confident | 91.8 | Very high | 98 Ų | 98 | 49.1 Ų | 49.1 | 46% | 0.458 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53 | 37.1 | -172.6 | -63.5 | 177.3 | -6.4 | 0 | 0 | 113.2 | E221 A244 Y245 R246 P250 | E221-Q248 PolarHBondContact O-NE2 3.07Å; A244-Q248 PolarHBondContact O-N 3.34Å; A244-Q248 VanDerWaalsContact O-N 3.13Å; Y245-Q248 PolarHBondContact O-N 3.07Å; R246-Q248 PolarHBondContact O-N 3.17Å; Q248-P250 WeakPolarHBondContact O-CD 3.27Å |
| 249 | E | 88.3 | Confident | 91.9 | Very high | 37 Ų | 37 | 43.2 Ų | 43.2 | 17% | 0.173 | 21% | 0.205 | C | C | . | . | trans | -85.3 | 119.7 | -174.3 | -86.3 | -67.3 | 160 | 0 | 0 | 112.1 | A244 L247 K251 G295 | A244-E249 PolarHBondContact O-N 3.45Å; L247-E249 HydrophobicContact CB-CB 4.46Å; L247-E249 HydrophobicContact CB-CG 3.92Å; L247-E249 PolarHBondContact O-N 2.83Å; E249-K251 PolarHBondContact O-N 3.09Å; E249-G295 WeakPolarHBondContact OE1-CA 3.45Å | ||
| 250 | P | 87.4 | Confident | 92 | Very high | 120 Ų | 120 | 49.8 Ų | 49.8 | 78% | 0.779 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -73 | -8.4 | -178.1 | 30 | -36.4 | 0 | 0 | 0 | 113.9 | Q248 | Q248-P250 WeakPolarHBondContact O-CD 3.27Š|
| 251 | K | 89.8 | Confident | 91.9 | Very high | 83 Ų | 83 | 50.3 Ų | 50.3 | 36% | 0.361 | 24% | 0.239 | S | C | . | . | trans | -113 | 73 | -177.6 | -64.4 | -171.8 | -179.2 | -174.3 | 0 | 111.3 | E249 E253 L254 E320 | E249-K251 PolarHBondContact O-N 3.09Å; K251-E253 VanDerWaalsContact C-N 3.27Å; K251-E253 PolarHBondContact O-N 2.84Å; K251-L254 HydrophobicContact CB-CB 4.15Å; K251-L254 WeakPolarHBondContact O-CB 3.39Å; K251-L254 PolarHBondContact O-N 3.4Å; K251-E320 IonicContact NZ-OE1 2.65Å; K251-E320 PolarHBondContact NZ-OE1 3.45Å | ||
| 252 | K | 92.4 | Very high | 91.9 | Very high | 109 Ų | 109 | 46.9 Ų | 46.9 | 47% | 0.474 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -47.8 | -46.5 | 178.9 | -68.7 | -172.6 | 176.9 | -178 | 0 | 113.1 | E241 A244 L254 I255 E256 | E241-K252 IonicContact OE1-NZ 3.71Å; E241-K252 PolarHBondContact OE1-NZ 2.88Å; A244-K252 HydrophobicContact CB-CG 4.05Å; K252-L254 PolarHBondContact O-N 3.4Å; K252-L254 VanDerWaalsContact O-N 3.09Å; K252-I255 WeakPolarHBondContact O-CA 3.35Å; K252-I255 WeakPolarHBondContact O-CB 3.39Å; K252-I255 PolarHBondContact O-N 2.89Å; K252-E256 PolarHBondContact O-N 3.32Å |
| 253 | E | 93.1 | Very high | 91.9 | Very high | 84 Ų | 84 | 48.2 Ų | 48.2 | 39% | 0.393 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -52.3 | -31.2 | 176.7 | -54 | 168.2 | -161 | 0 | 0 | 114.3 | K251 I255 E256 R257 R323 | K251-E253 VanDerWaalsContact C-N 3.27Å; K251-E253 PolarHBondContact O-N 2.84Å; E253-I255 VanDerWaalsContact C-N 3.35Å; E253-E256 WeakPolarHBondContact O-CB 3.31Å; E253-E256 PolarHBondContact O-N 3.49Å; E253-R257 WeakPolarHBondContact O-CG 3.48Å; E253-R257 PolarHBondContact O-N 3.49Å; E253-R257 IonicContact OE2-NH1 2.68Å; E253-R257 PolarHBondContact OE2-NH1 2.94Å; E253-R323 IonicContact OE1-NH1 3.85Å; E253-R323 IonicContact OE1-NH2 2.89Å; E253-R323 IonicContact OE2-CZ 3.41Å; E253-R323 IonicContact OE2-NH1 2.61Å; E253-R323 PolarHBondContact OE2-NH1 3.32Å; E253-R323 IonicContact OE2-NH2 2.79Å; E253-R323 PolarHBondContact OE2-NH2 2.95Å |
| 254 | L | 93.3 | Very high | 91.9 | Very high | 10 Ų | 10 | 50.3 Ų | 50.3 | 5% | 0.052 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -71.5 | -36.1 | 179 | -177.2 | 63.7 | 0 | 0 | 0 | 110.5 | K251 K252 V258 L299 I316 F317 | K251-L254 HydrophobicContact CB-CB 4.15Å; K251-L254 WeakPolarHBondContact O-CB 3.39Å; K251-L254 PolarHBondContact O-N 3.4Å; K252-L254 PolarHBondContact O-N 3.4Å; K252-L254 VanDerWaalsContact O-N 3.09Å; L254-V258 VanDerWaalsContact O-CG2 3.31Å; L254-V258 WeakPolarHBondContact O-CG2 3.38Å; L254-V258 PolarHBondContact O-N 2.91Å; L254-V258 VanDerWaalsContact O-N 3.12Å; L254-L299 HydrophobicContact CD2-CD1 3.93Å; L254-I316 HydrophobicContact CD1-CG2 3.94Å; L254-F317 HydrophobicContact CD1-CD1 4.14Å; L254-F317 HydrophobicContact CD1-CE1 4.11Å; L254-F317 HydrophobicContact CD2-CE1 4.25Å |
| 255 | I | 93.8 | Very high | 91.8 | Very high | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -71.1 | -39.6 | 173.7 | -55.5 | -56 | 0 | 0 | 0 | 110.3 | V240 I243 A244 L247 K252 E253 R257 V258 V259 F298 | V240-I255 HydrophobicContact CG1-CB 4.25Å; V240-I255 HydrophobicContact CG1-CG2 4.18Å; I243-I255 HydrophobicContact CB-CG2 3.85Å; I243-I255 HydrophobicContact CG2-CD1 4.42Å; I243-I255 HydrophobicContact CG2-CG2 3.49Å; I243-I255 VanDerWaalsContact CG2-CG2 3.49Å; A244-I255 HydrophobicContact CB-CG1 4.3Å; L247-I255 HydrophobicContact CD1-CD1 4.32Å; K252-I255 WeakPolarHBondContact O-CA 3.35Å; K252-I255 WeakPolarHBondContact O-CB 3.39Å; K252-I255 PolarHBondContact O-N 2.89Å; E253-I255 VanDerWaalsContact C-N 3.35Å; I255-R257 PolarHBondContact O-N 2.92Å; I255-V258 WeakPolarHBondContact O-CA 3.26Å; I255-V258 WeakPolarHBondContact O-CB 3.49Å; I255-V258 PolarHBondContact O-N 3.36Å; I255-V259 WeakPolarHBondContact O-CG2 3.42Å; I255-V259 PolarHBondContact O-N 3.28Å; I255-F298 HydrophobicContact CD1-CD1 4.33Å; I255-F298 HydrophobicContact CD1-CE1 3.98Å |
| 256 | E | 94.4 | Very high | 91.8 | Very high | 92 Ų | 92 | 54.7 Ų | 54.7 | 43% | 0.43 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -54.6 | -51.7 | 171.6 | -165.6 | -164.6 | 143.2 | 0 | 0 | 111.7 | V240 K252 E253 V258 V259 Q260 | V240-E256 HydrophobicContact CG1-CB 3.98Å; V240-E256 HydrophobicContact CG2-CB 4.26Å; K252-E256 PolarHBondContact O-N 3.32Å; E253-E256 WeakPolarHBondContact O-CB 3.31Å; E253-E256 PolarHBondContact O-N 3.49Å; E256-V258 VanDerWaalsContact C-N 3.26Å; E256-V258 PolarHBondContact O-N 2.95Å; E256-V259 PolarHBondContact O-N 2.97Å; E256-Q260 WeakPolarHBondContact O-CB 3.48Å; E256-Q260 PolarHBondContact O-N 3.46Å |
| 257 | R | 94.1 | Very high | 91.9 | Very high | 29 Ų | 29 | 53.1 Ų | 53.1 | 11% | 0.109 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.5 | -30.9 | 174.6 | -69.7 | -173.2 | -59.1 | -97.4 | -9.7 | 112.8 | E253 I255 V261 I316 E319 E320 | E253-R257 WeakPolarHBondContact O-CG 3.48Å; E253-R257 PolarHBondContact O-N 3.49Å; E253-R257 IonicContact OE2-NH1 2.68Å; E253-R257 PolarHBondContact OE2-NH1 2.94Å; I255-R257 PolarHBondContact O-N 2.92Å; R257-V261 VanDerWaalsContact O-CB 3.24Å; R257-V261 WeakPolarHBondContact O-CB 3.19Å; R257-V261 WeakPolarHBondContact O-CG2 3.4Å; R257-V261 PolarHBondContact O-N 2.96Å; R257-V261 VanDerWaalsContact O-N 3.17Å; R257-I316 HydrophobicContact CB-CG2 4.49Å; R257-I316 PolarHBondContact NE-O 3.31Å; R257-E319 WeakPolarHBondContact CD-OE2 3.37Å; R257-E319 IonicContact CZ-OE2 3.05Å; R257-E319 IonicContact NE-OE2 3.3Å; R257-E319 IonicContact NH1-OE1 2.71Å; R257-E319 IonicContact NH1-OE2 3.96Å; R257-E319 PolarHBondContact NH1-OE2 3.28Å; R257-E320 IonicContact NH2-OE2 3.62Å; R257-E320 PolarHBondContact NH2-OE2 3.46Å |
| 258 | V | 93.2 | Very high | 92 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.6 | -52.6 | 172.2 | 171.6 | 0 | 0 | 0 | 0 | 110.7 | L254 I255 E256 Q260 V261 V262 F298 L302 I316 | L254-V258 VanDerWaalsContact O-CG2 3.31Å; L254-V258 WeakPolarHBondContact O-CG2 3.38Å; L254-V258 PolarHBondContact O-N 2.91Å; L254-V258 VanDerWaalsContact O-N 3.12Å; I255-V258 WeakPolarHBondContact O-CA 3.26Å; I255-V258 WeakPolarHBondContact O-CB 3.49Å; I255-V258 PolarHBondContact O-N 3.36Å; E256-V258 VanDerWaalsContact C-N 3.26Å; E256-V258 PolarHBondContact O-N 2.95Å; V258-Q260 VanDerWaalsContact C-N 3.32Å; V258-Q260 PolarHBondContact O-N 3.29Å; V258-V261 PolarHBondContact O-N 3.45Å; V258-V262 HydrophobicContact CG1-CG2 4.24Å; V258-V262 VanDerWaalsContact O-CB 3.26Å; V258-V262 WeakPolarHBondContact O-CB 3.43Å; V258-V262 WeakPolarHBondContact O-CG2 3.04Å; V258-V262 PolarHBondContact O-N 2.65Å; V258-F298 HydrophobicContact CG1-CE1 4.2Å; V258-F298 HydrophobicContact CG1-CZ 4.14Å; V258-L302 HydrophobicContact CG1-CD1 4.3Å; V258-L302 HydrophobicContact CG1-CD2 4.24Å; V258-L302 HydrophobicContact CG2-CD2 3.61Å; V258-I316 HydrophobicContact CG2-CD1 4.25Å; V258-I316 HydrophobicContact CG2-CG2 3.69Å |
| 259 | V | 93.8 | Very high | 92.2 | Very high | 3 Ų | 3 | 54.3 Ų | 54.3 | 2% | 0.018 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.1 | -43.2 | -179.4 | 174 | 0 | 0 | 0 | 0 | 111 | D236 V239 V240 I243 I255 E256 G263 K264 A267 | D236-V259 HydrophobicContact CB-CG1 4.42Å; V239-V259 HydrophobicContact CG1-CG2 4.42Å; V240-V259 HydrophobicContact CG2-CB 3.88Å; V240-V259 HydrophobicContact CG2-CG1 4.31Å; V240-V259 HydrophobicContact CG2-CG2 3.69Å; I243-V259 HydrophobicContact CD1-CG2 4.18Å; I255-V259 WeakPolarHBondContact O-CG2 3.42Å; I255-V259 PolarHBondContact O-N 3.28Å; E256-V259 PolarHBondContact O-N 2.97Å; V259-G263 CarbonylContact O-C 3.3Å; V259-G263 WeakPolarHBondContact O-CA 3.42Å; V259-G263 PolarHBondContact O-N 3.39Å; V259-K264 HydrophobicContact CG1-CG 3.74Å; V259-A267 HydrophobicContact CG2-CB 3.82Å |
| 260 | Q | 93.7 | Very high | 92.4 | Very high | 138 Ų | 138 | 52.8 Ų | 52.8 | 65% | 0.645 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -67.7 | -34.7 | 178.8 | -168.2 | -168.8 | 78.9 | 0 | 0 | 113.8 | E256 V258 | E256-Q260 WeakPolarHBondContact O-CB 3.48Å; E256-Q260 PolarHBondContact O-N 3.46Å; V258-Q260 VanDerWaalsContact C-N 3.32Å; V258-Q260 PolarHBondContact O-N 3.29Å |
| 261 | V | 92.5 | Very high | 92.7 | Very high | 21 Ų | 21 | 47.4 Ų | 47.4 | 13% | 0.127 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -93.6 | -22.9 | -174.6 | 175.7 | 0 | 0 | 0 | 0 | 113.2 | R257 V258 Q312 K315 I316 | R257-V261 VanDerWaalsContact O-CB 3.24Å; R257-V261 WeakPolarHBondContact O-CB 3.19Å; R257-V261 WeakPolarHBondContact O-CG2 3.4Å; R257-V261 PolarHBondContact O-N 2.96Å; R257-V261 VanDerWaalsContact O-N 3.17Å; V258-V261 PolarHBondContact O-N 3.45Å; V261-Q312 HydrophobicContact CG1-CB 3.67Å; V261-Q312 HydrophobicContact CG1-CG 3.71Å; V261-Q312 PolarHBondContact O-NE2 3.09Å; V261-K315 HydrophobicContact CG1-CD 4.38Å; V261-K315 HydrophobicContact CG2-CD 3.9Å; V261-K315 HydrophobicContact CG2-CG 4.29Å; V261-I316 HydrophobicContact CB-CD1 4.11Å; V261-I316 HydrophobicContact CB-CG1 3.8Å; V261-I316 HydrophobicContact CG1-CD1 4.02Å; V261-I316 HydrophobicContact CG1-CG1 3.89Å; V261-I316 HydrophobicContact CG2-CG1 4.15Å |
| 262 | V | 91.7 | Very high | 92.8 | Very high | 21 Ų | 21 | 45.2 Ų | 45.2 | 13% | 0.127 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -112.4 | -23.7 | -175.7 | -171.6 | 0 | 0 | 0 | 0 | 112.4 | V258 K266 L302 V308 I316 | V258-V262 HydrophobicContact CG1-CG2 4.24Å; V258-V262 VanDerWaalsContact O-CB 3.26Å; V258-V262 WeakPolarHBondContact O-CB 3.43Å; V258-V262 WeakPolarHBondContact O-CG2 3.04Å; V258-V262 PolarHBondContact O-N 2.65Å; V262-K266 HydrophobicContact CG1-CB 3.72Å; V262-L302 HydrophobicContact CG2-CD1 4Å; V262-V308 HydrophobicContact CG1-CG2 3.72Å; V262-V308 HydrophobicContact CG2-CG1 4.02Å; V262-V308 HydrophobicContact CG2-CG2 4.48Å; V262-I316 HydrophobicContact CG2-CD1 3.78Å |
| 263 | G | 92.3 | Very high | 92.8 | Very high | 31 Ų | 31 | 43.8 Ų | 43.8 | 32% | 0.32 | 22% | 0.222 | S | C | . | . | trans | 91.3 | 143.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | V259 K265 K266 A267 | V259-G263 CarbonylContact O-C 3.3Å; V259-G263 WeakPolarHBondContact O-CA 3.42Å; V259-G263 PolarHBondContact O-N 3.39Å; G263-K265 VanDerWaalsContact C-N 3.34Å; G263-K265 PolarHBondContact O-N 2.93Å; G263-K266 PolarHBondContact O-N 2.86Å; G263-A267 PolarHBondContact O-N 3.34Å; G263-A267 VanDerWaalsContact O-N 3.11Å | ||
| 264 | K | 91.6 | Very high | 92.8 | Very high | 45 Ų | 45 | 39.8 Ų | 39.8 | 20% | 0.196 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -45.1 | -52 | -179.7 | -76.2 | -171.6 | -81.2 | 171.5 | 0 | 113.6 | E232 D234 D236 V239 V259 K266 A267 I268 | E232-K264 VanDerWaalsContact O-CE 3.28Å; E232-K264 WeakPolarHBondContact O-CE 3.4Å; E232-K264 PolarHBondContact O-NZ 2.86Å; D234-K264 WeakPolarHBondContact O-CD 3.4Å; D234-K264 PolarHBondContact O-NZ 2.89Å; D236-K264 VanDerWaalsContact OD1-CD 3.29Å; D236-K264 WeakPolarHBondContact OD1-CD 3.41Å; D236-K264 WeakPolarHBondContact OD1-CE 3.36Å; D236-K264 IonicContact OD1-NZ 3.47Å; D236-K264 PolarHBondContact OD1-NZ 2.9Å; V239-K264 HydrophobicContact CG1-CG 4.39Å; V239-K264 HydrophobicContact CG2-CD 3.89Å; V239-K264 HydrophobicContact CG2-CG 4.38Å; V259-K264 HydrophobicContact CG1-CG 3.74Å; K264-K266 PolarHBondContact O-N 3.43Å; K264-A267 WeakPolarHBondContact O-CB 3.42Å; K264-A267 PolarHBondContact O-N 2.78Å; K264-A267 VanDerWaalsContact O-N 3.09Å; K264-I268 WeakPolarHBondContact O-CG1 3.47Å; K264-I268 PolarHBondContact O-N 3.2Å |
| 265 | K | 92.1 | Very high | 92.7 | Very high | 118 Ų | 118 | 40 Ų | 40 | 51% | 0.513 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -49.4 | -54 | -178.2 | -48.2 | -167.7 | 163.9 | -104.8 | 0 | 112.1 | E232 G263 I268 E269 | E232-K265 HydrophobicContact CG-CG 4.26Å; E232-K265 WeakPolarHBondContact OE1-CB 3.47Å; E232-K265 WeakPolarHBondContact OE1-CD 3.36Å; E232-K265 WeakPolarHBondContact OE1-CG 3.4Å; E232-K265 IonicContact OE1-NZ 3.86Å; E232-K265 PolarHBondContact OE1-NZ 2.81Å; E232-K265 IonicContact OE2-NZ 3.1Å; E232-K265 PolarHBondContact OE2-NZ 2.88Å; G263-K265 VanDerWaalsContact C-N 3.34Å; G263-K265 PolarHBondContact O-N 2.93Å; K265-I268 PolarHBondContact O-N 3.44Å; K265-E269 WeakPolarHBondContact O-CG 3.46Å; K265-E269 PolarHBondContact O-N 3.34Å |
| 266 | K | 91.1 | Very high | 92.7 | Very high | 72 Ų | 72 | 43.3 Ų | 43.3 | 31% | 0.313 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -72 | -29.1 | -178.4 | -73.3 | -71.2 | 172.9 | -133.5 | 0 | 113.1 | V262 G263 K264 E269 L270 | V262-K266 HydrophobicContact CG1-CB 3.72Å; G263-K266 PolarHBondContact O-N 2.86Å; K264-K266 PolarHBondContact O-N 3.43Å; K266-E269 WeakPolarHBondContact CD-OE1 3.17Å; K266-E269 WeakPolarHBondContact CE-OE1 3.48Å; K266-E269 IonicContact NZ-OE1 3.95Å; K266-E269 PolarHBondContact NZ-OE1 3.45Å; K266-E269 IonicContact NZ-OE2 3.04Å; K266-E269 PolarHBondContact NZ-OE2 3.38Å; K266-L270 WeakPolarHBondContact O-CB 3.34Å; K266-L270 WeakPolarHBondContact O-CD1 3.49Å; K266-L270 VanDerWaalsContact O-CG 3.26Å; K266-L270 WeakPolarHBondContact O-CG 3.39Å; K266-L270 PolarHBondContact O-N 2.88Å |
| 267 | A | 92.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -68.1 | -36.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | I243 V259 G263 K264 L271 | I243-A267 HydrophobicContact CD1-CB 4Å; V259-A267 HydrophobicContact CG2-CB 3.82Å; G263-A267 PolarHBondContact O-N 3.34Å; G263-A267 VanDerWaalsContact O-N 3.11Å; K264-A267 WeakPolarHBondContact O-CB 3.42Å; K264-A267 PolarHBondContact O-N 2.78Å; K264-A267 VanDerWaalsContact O-N 3.09Å; A267-L271 PolarHBondContact O-N 2.88Å; A267-L271 VanDerWaalsContact O-N 3.08Å |
| 268 | I | 92.1 | Very high | 92.4 | Very high | 39 Ų | 39 | 41.2 Ų | 41.2 | 20% | 0.2 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -71.3 | -41.6 | 174.8 | -63.7 | 164.4 | 0 | 0 | 0 | 110.8 | I230 E232 V239 K264 K265 L271 G272 | I230-I268 HydrophobicContact CG2-CD1 3.81Å; I230-I268 HydrophobicContact CG2-CG1 4.05Å; E232-I268 HydrophobicContact CG-CD1 4.45Å; V239-I268 HydrophobicContact CG1-CG1 4.37Å; K264-I268 WeakPolarHBondContact O-CG1 3.47Å; K264-I268 PolarHBondContact O-N 3.2Å; K265-I268 PolarHBondContact O-N 3.44Å; I268-L271 WeakPolarHBondContact O-CB 3.48Å; I268-L271 PolarHBondContact O-N 3.48Å; I268-G272 PolarHBondContact O-N 3.5Å |
| 269 | E | 92.8 | Very high | 92.2 | Very high | 88 Ų | 88 | 47 Ų | 47 | 41% | 0.411 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -56 | -51.1 | 171.1 | -72.2 | 174.2 | -130.6 | 0 | 0 | 111.8 | K265 K266 L271 G272 E273 | K265-E269 WeakPolarHBondContact O-CG 3.46Å; K265-E269 PolarHBondContact O-N 3.34Å; K266-E269 WeakPolarHBondContact CD-OE1 3.17Å; K266-E269 WeakPolarHBondContact CE-OE1 3.48Å; K266-E269 IonicContact NZ-OE1 3.95Å; K266-E269 PolarHBondContact NZ-OE1 3.45Å; K266-E269 IonicContact NZ-OE2 3.04Å; K266-E269 PolarHBondContact NZ-OE2 3.38Å; E269-L271 VanDerWaalsContact C-N 3.25Å; E269-L271 PolarHBondContact O-N 3.48Å; E269-G272 PolarHBondContact O-N 3.16Å; E269-E273 PolarHBondContact O-N 3.42Å |
| 270 | L | 93.3 | Very high | 92 | Very high | 5 Ų | 5 | 53.3 Ų | 53.3 | 3% | 0.026 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.4 | -33.2 | 177.1 | -78 | 167.7 | 0 | 0 | 0 | 112.9 | K266 T274 F298 L301 L302 T305 | K266-L270 WeakPolarHBondContact O-CB 3.34Å; K266-L270 WeakPolarHBondContact O-CD1 3.49Å; K266-L270 VanDerWaalsContact O-CG 3.26Å; K266-L270 WeakPolarHBondContact O-CG 3.39Å; K266-L270 PolarHBondContact O-N 2.88Å; L270-T274 WeakPolarHBondContact O-CB 3.46Å; L270-T274 PolarHBondContact O-N 2.93Å; L270-T274 PolarHBondContact O-OG1 3.02Å; L270-F298 HydrophobicContact CB-CD2 3.88Å; L270-F298 HydrophobicContact CB-CE2 3.49Å; L270-F298 VanDerWaalsContact CB-CE2 3.49Å; L270-F298 HydrophobicContact CB-CZ 4.32Å; L270-F298 HydrophobicContact CD1-CE2 4.46Å; L270-L301 HydrophobicContact CD2-CB 3.59Å; L270-L302 HydrophobicContact CD1-CB 4.33Å; L270-L302 HydrophobicContact CD1-CD1 4Å; L270-T305 HydrophobicContact CD2-CG2 3.71Å |
| 271 | L | 92.4 | Very high | 91.6 | Very high | 7 Ų | 7 | 48.4 Ų | 48.4 | 4% | 0.037 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.6 | -41.6 | 174 | -178.6 | 72.7 | 0 | 0 | 0 | 111.1 | I230 I243 R246 L247 A267 I268 E269 T274 A275 | I230-L271 HydrophobicContact CD1-CD2 3.82Å; I243-L271 HydrophobicContact CG1-CD2 4.12Å; R246-L271 HydrophobicContact CB-CD1 4.32Å; L247-L271 HydrophobicContact CD2-CD1 4.18Å; L247-L271 HydrophobicContact CG-CD1 4.27Å; A267-L271 PolarHBondContact O-N 2.88Å; A267-L271 VanDerWaalsContact O-N 3.08Å; I268-L271 WeakPolarHBondContact O-CB 3.48Å; I268-L271 PolarHBondContact O-N 3.48Å; E269-L271 VanDerWaalsContact C-N 3.25Å; E269-L271 PolarHBondContact O-N 3.48Å; L271-T274 WeakPolarHBondContact O-CB 3.48Å; L271-T274 PolarHBondContact O-N 3.35Å; L271-A275 PolarHBondContact O-N 2.96Å |
| 272 | G | 92.4 | Very high | 91.3 | Very high | 37 Ų | 37 | 48.1 Ų | 48.1 | 38% | 0.381 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -65.6 | -42.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | I268 E269 T274 A275 T276 | I268-G272 PolarHBondContact O-N 3.5Å; E269-G272 PolarHBondContact O-N 3.16Å; G272-T274 VanDerWaalsContact C-N 3.29Å; G272-T274 PolarHBondContact O-N 2.85Å; G272-A275 PolarHBondContact O-N 2.99Å; G272-T276 PolarHBondContact O-N 2.88Å; G272-T276 PolarHBondContact O-OG1 2.95Å |
| 273 | E | 91.5 | Very high | 91.2 | Very high | 78 Ų | 78 | 50 Ų | 50 | 36% | 0.364 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -58.7 | -41.1 | 169.9 | -70.8 | -176.8 | 176.6 | 0 | 0 | 111.5 | E269 T276 L277 L301 | E269-E273 PolarHBondContact O-N 3.42Å; E273-T276 PolarHBondContact O-OG1 3.19Å; E273-T276 VanDerWaalsContact O-OG1 3.07Å; E273-L277 WeakPolarHBondContact O-CB 3.47Å; E273-L277 WeakPolarHBondContact O-CG 3.45Å; E273-L277 PolarHBondContact O-N 2.9Å; E273-L301 HydrophobicContact CB-CD1 3.6Å |
| 274 | T | 93.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.9 | -40.4 | 176.8 | -54.7 | 0 | 0 | 0 | 0 | 111.8 | M222 L247 L270 L271 G272 L277 E278 P294 V297 F298 L301 | M222-T274 HydrophobicContact CE-CG2 4.03Å; M222-T274 HydrophobicContact SD-CG2 4.44Å; L247-T274 HydrophobicContact CD2-CG2 3.84Å; L270-T274 WeakPolarHBondContact O-CB 3.46Å; L270-T274 PolarHBondContact O-N 2.93Å; L270-T274 PolarHBondContact O-OG1 3.02Å; L271-T274 WeakPolarHBondContact O-CB 3.48Å; L271-T274 PolarHBondContact O-N 3.35Å; G272-T274 VanDerWaalsContact C-N 3.29Å; G272-T274 PolarHBondContact O-N 2.85Å; T274-L277 PolarHBondContact O-N 3.28Å; T274-E278 HydrophobicContact CG2-CG 4.46Å; T274-E278 WeakPolarHBondContact O-CB 3.44Å; T274-E278 WeakPolarHBondContact O-CG 3.17Å; T274-E278 PolarHBondContact O-N 2.91Å; T274-P294 WeakPolarHBondContact CG2-O 3.41Å; T274-V297 HydrophobicContact CG2-CB 4.21Å; T274-V297 HydrophobicContact CG2-CG1 4.38Å; T274-F298 HydrophobicContact CG2-CB 4.25Å; T274-F298 WeakPolarHBondContact OG1-CA 3.05Å; T274-L301 WeakPolarHBondContact OG1-CD1 3.32Å |
| 275 | A | 92.6 | Very high | 91 | Very high | 16 Ų | 16 | 53.5 Ų | 53.5 | 13% | 0.132 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60 | -54.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | M222 L271 G272 L277 E278 E279 | M222-A275 HydrophobicContact CE-CB 4.26Å; L271-A275 PolarHBondContact O-N 2.96Å; G272-A275 PolarHBondContact O-N 2.99Å; A275-L277 VanDerWaalsContact C-N 3.3Å; A275-L277 PolarHBondContact O-N 2.83Å; A275-E278 PolarHBondContact O-N 2.86Å; A275-E279 WeakPolarHBondContact O-CG 3.44Å; A275-E279 PolarHBondContact O-N 3.48Å |
| 276 | T | 92.8 | Very high | 90.8 | Very high | 70 Ų | 70 | 55.7 Ų | 55.7 | 43% | 0.429 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.7 | -35.7 | 178.6 | 56.4 | 0 | 0 | 0 | 0 | 112.5 | G272 E273 N280 | G272-T276 PolarHBondContact O-N 2.88Å; G272-T276 PolarHBondContact O-OG1 2.95Å; E273-T276 PolarHBondContact O-OG1 3.19Å; E273-T276 VanDerWaalsContact O-OG1 3.07Å; T276-N280 WeakPolarHBondContact O-CB 3.48Å; T276-N280 PolarHBondContact O-N 2.89Å; T276-N280 PolarHBondContact O-ND2 3.38Å |
| 277 | L | 91.9 | Very high | 90.5 | Very high | 60 Ų | 60 | 57.7 Ų | 57.7 | 31% | 0.314 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -67.9 | -40.8 | 174.7 | -78.6 | -176.6 | 0 | 0 | 0 | 113.3 | E273 T274 A275 N280 G281 G282 V297 L301 | E273-L277 WeakPolarHBondContact O-CB 3.47Å; E273-L277 WeakPolarHBondContact O-CG 3.45Å; E273-L277 PolarHBondContact O-N 2.9Å; T274-L277 PolarHBondContact O-N 3.28Å; A275-L277 VanDerWaalsContact C-N 3.3Å; A275-L277 PolarHBondContact O-N 2.83Å; L277-N280 CarbonylContact O-C 3.54Å; L277-N280 PolarHBondContact O-N 2.89Å; L277-G281 PolarHBondContact O-N 2.87Å; L277-G282 VanDerWaalsContact O-CA 3.26Å; L277-G282 WeakPolarHBondContact O-CA 3.22Å; L277-G282 PolarHBondContact O-N 3.42Å; L277-V297 HydrophobicContact CB-CG1 4.31Å; L277-V297 HydrophobicContact CD1-CG1 3.77Å; L277-L301 HydrophobicContact CD1-CD1 4.18Å; L277-L301 HydrophobicContact CD1-CD2 3.88Å; L277-L301 HydrophobicContact CD1-CG 4.27Å |
| 278 | E | 90.3 | Very high | 90.1 | Very high | 17 Ų | 17 | 59.9 Ų | 59.9 | 8% | 0.079 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -72.4 | -33.6 | -179.8 | -75 | -73.6 | 108 | 0 | 0 | 112.5 | M222 T274 A275 G281 G282 R291 P294 | M222-E278 HydrophobicContact CE-CB 3.81Å; M222-E278 HydrophobicContact CE-CG 3.92Å; T274-E278 HydrophobicContact CG2-CG 4.46Å; T274-E278 WeakPolarHBondContact O-CB 3.44Å; T274-E278 WeakPolarHBondContact O-CG 3.17Å; T274-E278 PolarHBondContact O-N 2.91Å; A275-E278 PolarHBondContact O-N 2.86Å; E278-G281 PolarHBondContact O-N 2.84Å; E278-G282 WeakPolarHBondContact OE1-CA 3.25Å; E278-R291 IonicContact OE1-CZ 2.77Å; E278-R291 IonicContact OE1-NE 2.66Å; E278-R291 IonicContact OE1-NH2 3.65Å; E278-R291 PolarHBondContact OE1-NH2 3.38Å; E278-R291 IonicContact OE2-CZ 3.43Å; E278-R291 IonicContact OE2-NE 3.8Å; E278-R291 IonicContact OE2-NH2 3.02Å; E278-R291 PolarHBondContact OE2-NH2 3.48Å; E278-P294 HydrophobicContact CG-CB 4.17Å |
| 279 | E | 89.6 | Confident | 89.7 | Confident | 121 Ų | 121 | 61.1 Ų | 61.1 | 57% | 0.565 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -60.7 | -45.1 | 166.9 | -74.4 | -179.9 | 160.2 | 0 | 0 | 111.7 | I224 A275 G281 | I224-E279 HydrophobicContact CD1-CG 3.8Å; A275-E279 WeakPolarHBondContact O-CG 3.44Å; A275-E279 PolarHBondContact O-N 3.48Å; E279-G281 PolarHBondContact O-N 2.71Å |
| 280 | N | 89.9 | Confident | 89.3 | Confident | 136 Ų | 136 | 62 Ų | 62 | 73% | 0.727 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | 14.8 | 175.3 | -76.5 | -63.9 | 0 | 0 | 0 | 114.2 | T276 L277 | T276-N280 WeakPolarHBondContact O-CB 3.48Å; T276-N280 PolarHBondContact O-N 2.89Å; T276-N280 PolarHBondContact O-ND2 3.38Å; L277-N280 CarbonylContact O-C 3.54Å; L277-N280 PolarHBondContact O-N 2.89Å |
| 281 | G | 84.9 | Confident | 89.1 | Confident | 35 Ų | 35 | 64.9 Ų | 64.9 | 36% | 0.361 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 99.9 | 0.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | L277 E278 E279 R291 | L277-G281 PolarHBondContact O-N 2.87Å; E278-G281 PolarHBondContact O-N 2.84Å; E279-G281 PolarHBondContact O-N 2.71Å; G281-R291 VanDerWaalsContact C-NH1 3.28Å; G281-R291 PolarHBondContact O-NE 3.33Å; G281-R291 PolarHBondContact O-NH1 3.28Å |
| 282 | G | 87.1 | Confident | 89 | Confident | 15 Ų | 15 | 67.1 Ų | 67.1 | 16% | 0.155 | 36% | 0.363 | C | S | . | . | trans | 77 | 162.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | L277 E278 | L277-G282 VanDerWaalsContact O-CA 3.26Å; L277-G282 WeakPolarHBondContact O-CA 3.22Å; L277-G282 PolarHBondContact O-N 3.42Å; E278-G282 WeakPolarHBondContact OE1-CA 3.25Å | ||
| 283 | M | 88.9 | Confident | 88.9 | Confident | 61 Ų | 61 | 68.5 Ų | 68.5 | 30% | 0.3 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -92 | 140.4 | -174.9 | -160 | -172.3 | -164.7 | 0 | 0 | 112.5 | R292 V297 N300 | M283-R292 WeakPolarHBondContact O-CB 3.5Å; M283-R292 WeakPolarHBondContact O-CG 3.31Å; M283-R292 PolarHBondContact O-N 3.3Å; M283-V297 HydrophobicContact CB-CG1 4.05Å; M283-V297 HydrophobicContact CB-CG2 3.83Å; M283-N300 PolarHBondContact SD-ND2 2.92Å |
| 284 | Y | 90.1 | Very high | 88.9 | Confident | 133 Ų | 133 | 64.8 Ų | 64.8 | 52% | 0.522 | 35% | 0.347 | S | S | . | . | B | Isolated β-bridge | trans | -88.7 | 164.8 | 175.2 | -76.5 | -108.6 | 0 | 0 | 0 | 112.8 | R291 R292 | Y284-R291 HydrophobicContact CD1-CB 4.44Å; Y284-R291 HydrophobicContact CE1-CB 4.23Å; Y284-R291 HydrophobicContact CE2-CB 4.34Å; Y284-R292 PolarHBondContact O-NE 2.85Å |
| 285 | T | 90.2 | Very high | 88.8 | Confident | 15 Ų | 15 | 64.8 Ų | 64.8 | 9% | 0.092 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -71.1 | 154.3 | 166.3 | -52.9 | 0 | 0 | 0 | 0 | 109.5 | D287 G288 R290 | T285-D287 VanDerWaalsContact C-N 3.27Å; T285-D287 WeakPolarHBondContact CG2-OD1 3.32Å; T285-D287 PolarHBondContact O-N 2.68Å; T285-G288 WeakPolarHBondContact O-CA 3.4Å; T285-G288 PolarHBondContact O-N 3.03Å; T285-R290 PolarHBondContact N-O 3.05Å; T285-R290 WeakPolarHBondContact OG1-CG 3.39Å; T285-R290 PolarHBondContact OG1-NE 2.96Å; T285-R290 PolarHBondContact OG1-O 3.3Å |
| 286 | M | 86.1 | Confident | 88.8 | Confident | 165 Ų | 165 | 64.9 Ų | 64.9 | 81% | 0.813 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | -42.9 | -178.7 | -55.3 | -55.7 | -73.5 | 0 | 0 | 112.7 | G288 | M286-G288 PolarHBondContact O-N 3.15Å; M286-G288 VanDerWaalsContact O-N 3.09Å |
| 287 | D | 85.2 | Confident | 88.7 | Confident | 114 Ų | 114 | 61.5 Ų | 61.5 | 61% | 0.61 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | 5.2 | 174.9 | 27.4 | -70.2 | 0 | 0 | 0 | 115.1 | T285 S289 R290 | T285-D287 VanDerWaalsContact C-N 3.27Å; T285-D287 WeakPolarHBondContact CG2-OD1 3.32Å; T285-D287 PolarHBondContact O-N 2.68Å; D287-S289 PolarHBondContact O-N 3.07Å; D287-S289 PolarHBondContact OD2-OG 3.31Å; D287-R290 IonicContact OD2-NH1 3.81Å |
| 288 | G | 84.5 | Confident | 88.8 | Confident | 45 Ų | 45 | 58.7 Ų | 58.7 | 46% | 0.464 | 31% | 0.313 | S | S | . | . | S | Bend | trans | 64.8 | -11.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | T285 M286 R290 | T285-G288 WeakPolarHBondContact O-CA 3.4Å; T285-G288 PolarHBondContact O-N 3.03Å; M286-G288 PolarHBondContact O-N 3.15Å; M286-G288 VanDerWaalsContact O-N 3.09Å; G288-R290 PolarHBondContact O-N 3.38Å; G288-R290 VanDerWaalsContact O-N 3.07Å |
| 289 | S | 84 | Confident | 89 | Confident | 66 Ų | 66 | 58.9 Ų | 58.9 | 46% | 0.462 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -63.7 | -19.3 | -164.6 | 68.5 | 0 | 0 | 0 | 0 | 116.1 | D287 | D287-S289 PolarHBondContact O-N 3.07Å; D287-S289 PolarHBondContact OD2-OG 3.31Å |
| 290 | R | 85.6 | Confident | 89.2 | Confident | 107 Ų | 107 | 54 Ų | 54 | 40% | 0.404 | 29% | 0.293 | S | S | . | . | trans | -160.5 | 146.7 | 179.5 | 64.7 | -171.9 | -177.9 | -76.3 | -1.8 | 111.6 | A212 I216 T285 D287 G288 | A212-R290 HydrophobicContact CB-CB 4.47Å; I216-R290 HydrophobicContact CD1-CB 3.8Å; I216-R290 HydrophobicContact CD1-CG 4.32Å; T285-R290 PolarHBondContact N-O 3.05Å; T285-R290 WeakPolarHBondContact OG1-CG 3.39Å; T285-R290 PolarHBondContact OG1-NE 2.96Å; T285-R290 PolarHBondContact OG1-O 3.3Å; D287-R290 IonicContact OD2-NH1 3.81Å; G288-R290 PolarHBondContact O-N 3.38Å; G288-R290 VanDerWaalsContact O-N 3.07Å | ||
| 291 | R | 88.1 | Confident | 89.3 | Confident | 65 Ų | 65 | 48.6 Ų | 48.6 | 25% | 0.245 | 26% | 0.264 | C | S | . | . | B | Isolated β-bridge | trans | -64.6 | 150.9 | 159.8 | -176.3 | 174.4 | 158.1 | 166.7 | -6.7 | 109.3 | E278 G281 Y284 | E278-R291 IonicContact OE1-CZ 2.77Å; E278-R291 IonicContact OE1-NE 2.66Å; E278-R291 IonicContact OE1-NH2 3.65Å; E278-R291 PolarHBondContact OE1-NH2 3.38Å; E278-R291 IonicContact OE2-CZ 3.43Å; E278-R291 IonicContact OE2-NE 3.8Å; E278-R291 IonicContact OE2-NH2 3.02Å; E278-R291 PolarHBondContact OE2-NH2 3.48Å; G281-R291 VanDerWaalsContact C-NH1 3.28Å; G281-R291 PolarHBondContact O-NE 3.33Å; G281-R291 PolarHBondContact O-NH1 3.28Å; Y284-R291 HydrophobicContact CD1-CB 4.44Å; Y284-R291 HydrophobicContact CE1-CB 4.23Å; Y284-R291 HydrophobicContact CE2-CB 4.34Å |
| 292 | R | 90.1 | Very high | 89.7 | Confident | 54 Ų | 54 | 46.9 Ų | 46.9 | 20% | 0.204 | 25% | 0.246 | C | C | . | . | P | Polyproline II helix | trans | -84.7 | 160.6 | 173.8 | -66.3 | 163.9 | 176.5 | -104.4 | 9.6 | 110.5 | M283 Y284 G296 V297 N300 | M283-R292 WeakPolarHBondContact O-CB 3.5Å; M283-R292 WeakPolarHBondContact O-CG 3.31Å; M283-R292 PolarHBondContact O-N 3.3Å; Y284-R292 PolarHBondContact O-NE 2.85Å; R292-G296 PolarHBondContact NH1-O 2.99Å; R292-V297 HydrophobicContact CB-CG2 3.86Å; R292-N300 VanDerWaalsContact CZ-CG 3.46Å; R292-N300 VanDerWaalsContact NH1-CG 3.28Å; R292-N300 PolarHBondContact NH1-OD1 3.33Å; R292-N300 PolarHBondContact NH2-OD1 2.98Å |
| 293 | T | 90.9 | Very high | 89.9 | Confident | 66 Ų | 66 | 51.3 Ų | 51.3 | 41% | 0.405 | 26% | 0.261 | S | S | . | . | P | Polyproline II helix | trans | -72.5 | 157.4 | 163.2 | 49 | 0 | 0 | 0 | 0 | 109.8 | A220 G295 G296 V297 | A220-T293 HydrophobicContact CB-CG2 4.3Å; T293-G295 PolarHBondContact O-N 3.28Å; T293-G296 CarbonylContact O-C 3.57Å; T293-G296 VanDerWaalsContact O-C 3.3Å; T293-G296 WeakPolarHBondContact O-CA 3.28Å; T293-G296 PolarHBondContact O-N 3.15Å; T293-G296 PolarHBondContact OG1-N 2.94Å; T293-V297 PolarHBondContact O-N 3.27Å |
| 294 | P | 91.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -54.9 | -48.9 | 179.6 | 18.2 | -31.7 | 0 | 0 | 0 | 113.2 | M222 L247 T274 E278 G296 V297 F298 | M222-P294 HydrophobicContact CB-CB 3.75Å; M222-P294 HydrophobicContact CB-CG 3.96Å; M222-P294 HydrophobicContact CE-CB 4.48Å; M222-P294 HydrophobicContact SD-CB 4.36Å; L247-P294 HydrophobicContact CD2-CB 4.38Å; T274-P294 WeakPolarHBondContact CG2-O 3.41Å; E278-P294 HydrophobicContact CG-CB 4.17Å; P294-G296 PolarHBondContact O-N 2.82Å; P294-V297 WeakPolarHBondContact O-CA 3.47Å; P294-V297 WeakPolarHBondContact O-CB 3.13Å; P294-V297 PolarHBondContact O-N 3.05Å; P294-F298 PolarHBondContact O-N 3.48Å |
| 295 | G | 91.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.1 | -30.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114 | E249 T293 V297 F298 L299 | E249-G295 WeakPolarHBondContact OE1-CA 3.45Å; T293-G295 PolarHBondContact O-N 3.28Å; G295-V297 VanDerWaalsContact C-N 3.27Å; G295-V297 PolarHBondContact O-N 3.27Å; G295-F298 PolarHBondContact O-N 3.12Å; G295-L299 WeakPolarHBondContact O-CB 3.39Å; G295-L299 VanDerWaalsContact O-CG 3.31Å; G295-L299 WeakPolarHBondContact O-CG 3.4Å; G295-L299 PolarHBondContact O-N 2.65Å |
| 296 | G | 91.2 | Very high | 89.3 | Confident | 17 Ų | 17 | 53.7 Ų | 53.7 | 18% | 0.175 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -72.2 | -12.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | R292 T293 P294 | R292-G296 PolarHBondContact NH1-O 2.99Å; T293-G296 CarbonylContact O-C 3.57Å; T293-G296 VanDerWaalsContact O-C 3.3Å; T293-G296 WeakPolarHBondContact O-CA 3.28Å; T293-G296 PolarHBondContact O-N 3.15Å; T293-G296 PolarHBondContact OG1-N 2.94Å; P294-G296 PolarHBondContact O-N 2.82Å |
| 297 | V | 92.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -88 | -48.5 | 166 | -177.9 | 0 | 0 | 0 | 0 | 109.8 | T274 L277 M283 R292 T293 P294 G295 L299 N300 L301 | T274-V297 HydrophobicContact CG2-CB 4.21Å; T274-V297 HydrophobicContact CG2-CG1 4.38Å; L277-V297 HydrophobicContact CB-CG1 4.31Å; L277-V297 HydrophobicContact CD1-CG1 3.77Å; M283-V297 HydrophobicContact CB-CG1 4.05Å; M283-V297 HydrophobicContact CB-CG2 3.83Å; R292-V297 HydrophobicContact CB-CG2 3.86Å; T293-V297 PolarHBondContact O-N 3.27Å; P294-V297 WeakPolarHBondContact O-CA 3.47Å; P294-V297 WeakPolarHBondContact O-CB 3.13Å; P294-V297 PolarHBondContact O-N 3.05Å; G295-V297 VanDerWaalsContact C-N 3.27Å; G295-V297 PolarHBondContact O-N 3.27Å; V297-L299 PolarHBondContact O-N 3.3Å; V297-N300 CarbonylContact O-C 3.52Å; V297-N300 WeakPolarHBondContact O-CA 3.27Å; V297-N300 VanDerWaalsContact O-CB 3.25Å; V297-N300 WeakPolarHBondContact O-CB 3.44Å; V297-N300 PolarHBondContact O-N 3.37Å; V297-L301 HydrophobicContact CG1-CD1 4.36Å; V297-L301 HydrophobicContact CG1-CG 4.45Å; V297-L301 PolarHBondContact O-N 3.45Å |
| 298 | F | 93.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -52.8 | -50.7 | 174.7 | 177.7 | -94.8 | 0 | 0 | 0 | 112.3 | I243 L247 I255 V258 L270 T274 P294 G295 N300 L301 L302 | I243-F298 HydrophobicContact CG2-CE2 4.46Å; I243-F298 HydrophobicContact CG2-CZ 4.29Å; L247-F298 HydrophobicContact CD1-CB 3.75Å; L247-F298 HydrophobicContact CD1-CD1 3.73Å; L247-F298 HydrophobicContact CD1-CD2 3.91Å; L247-F298 HydrophobicContact CD1-CE1 4.27Å; L247-F298 HydrophobicContact CD1-CE2 4.42Å; L247-F298 HydrophobicContact CD1-CG 3.53Å; L247-F298 HydrophobicContact CD2-CB 4.01Å; L247-F298 HydrophobicContact CD2-CG 4.49Å; I255-F298 HydrophobicContact CD1-CD1 4.33Å; I255-F298 HydrophobicContact CD1-CE1 3.98Å; V258-F298 HydrophobicContact CG1-CE1 4.2Å; V258-F298 HydrophobicContact CG1-CZ 4.14Å; L270-F298 HydrophobicContact CB-CD2 3.88Å; L270-F298 HydrophobicContact CB-CE2 3.49Å; L270-F298 VanDerWaalsContact CB-CE2 3.49Å; L270-F298 HydrophobicContact CB-CZ 4.32Å; L270-F298 HydrophobicContact CD1-CE2 4.46Å; T274-F298 HydrophobicContact CG2-CB 4.25Å; T274-F298 WeakPolarHBondContact OG1-CA 3.05Å; P294-F298 PolarHBondContact O-N 3.48Å; G295-F298 PolarHBondContact O-N 3.12Å; F298-N300 PolarHBondContact O-N 3.07Å; F298-N300 VanDerWaalsContact O-N 3.11Å; F298-L301 PolarHBondContact O-N 2.85Å; F298-L302 WeakPolarHBondContact O-CB 3.3Å; F298-L302 PolarHBondContact O-N 3.23Å |
| 299 | L | 92.8 | Very high | 89.4 | Confident | 22 Ų | 22 | 44.7 Ų | 44.7 | 12% | 0.115 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -71.5 | -0.1 | 176 | -62.5 | 178 | 0 | 0 | 0 | 114.1 | L254 G295 V297 L302 K303 F317 | L254-L299 HydrophobicContact CD2-CD1 3.93Å; G295-L299 WeakPolarHBondContact O-CB 3.39Å; G295-L299 VanDerWaalsContact O-CG 3.31Å; G295-L299 WeakPolarHBondContact O-CG 3.4Å; G295-L299 PolarHBondContact O-N 2.65Å; V297-L299 PolarHBondContact O-N 3.3Å; L299-L302 HydrophobicContact CD2-CD2 3.96Å; L299-K303 VanDerWaalsContact O-CD 3.24Å; L299-K303 WeakPolarHBondContact O-CD 3.24Å; L299-K303 WeakPolarHBondContact O-CE 3.45Å; L299-K303 WeakPolarHBondContact O-CG 3.46Å; L299-F317 HydrophobicContact CD2-CZ 4.16Å |
| 300 | N | 93.6 | Very high | 89.7 | Confident | 18 Ų | 18 | 49.9 Ų | 49.9 | 10% | 0.096 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -101 | -42.8 | 170.2 | -162.4 | 80.7 | 0 | 0 | 0 | 111.5 | M283 R292 V297 F298 L302 K303 N304 | M283-N300 PolarHBondContact SD-ND2 2.92Å; R292-N300 VanDerWaalsContact CZ-CG 3.46Å; R292-N300 VanDerWaalsContact NH1-CG 3.28Å; R292-N300 PolarHBondContact NH1-OD1 3.33Å; R292-N300 PolarHBondContact NH2-OD1 2.98Å; V297-N300 CarbonylContact O-C 3.52Å; V297-N300 WeakPolarHBondContact O-CA 3.27Å; V297-N300 VanDerWaalsContact O-CB 3.25Å; V297-N300 WeakPolarHBondContact O-CB 3.44Å; V297-N300 PolarHBondContact O-N 3.37Å; F298-N300 PolarHBondContact O-N 3.07Å; F298-N300 VanDerWaalsContact O-N 3.11Å; N300-L302 VanDerWaalsContact C-N 3.33Å; N300-K303 PolarHBondContact O-N 2.88Å; N300-K303 VanDerWaalsContact O-N 3.09Å; N300-N304 PolarHBondContact ND2-ND2 3.42Å; N300-N304 VanDerWaalsContact O-CG 3.32Å; N300-N304 PolarHBondContact O-N 3.27Å |
| 301 | L | 93.1 | Very high | 90 | Very high | 22 Ų | 22 | 49.7 Ų | 49.7 | 12% | 0.115 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -54.9 | -50.3 | 169.3 | -70.8 | 171.1 | 0 | 0 | 0 | 110.5 | L270 E273 T274 L277 V297 F298 K303 N304 T305 | L270-L301 HydrophobicContact CD2-CB 3.59Å; E273-L301 HydrophobicContact CB-CD1 3.6Å; T274-L301 WeakPolarHBondContact OG1-CD1 3.32Å; L277-L301 HydrophobicContact CD1-CD1 4.18Å; L277-L301 HydrophobicContact CD1-CD2 3.88Å; L277-L301 HydrophobicContact CD1-CG 4.27Å; V297-L301 HydrophobicContact CG1-CD1 4.36Å; V297-L301 HydrophobicContact CG1-CG 4.45Å; V297-L301 PolarHBondContact O-N 3.45Å; F298-L301 PolarHBondContact O-N 2.85Å; L301-K303 PolarHBondContact O-N 3.45Å; L301-N304 CarbonylContact O-C 3.56Å; L301-N304 WeakPolarHBondContact O-CA 3.49Å; L301-N304 PolarHBondContact O-N 3.26Å; L301-T305 WeakPolarHBondContact O-CG2 3.31Å; L301-T305 PolarHBondContact O-N 2.92Å; L301-T305 PolarHBondContact O-OG1 2.81Å |
| 302 | L | 92.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -51 | -24.7 | 174.7 | 176.6 | 64.1 | 0 | 0 | 0 | 114.8 | V258 V262 L270 F298 L299 N300 V308 | V258-L302 HydrophobicContact CG1-CD1 4.3Å; V258-L302 HydrophobicContact CG1-CD2 4.24Å; V258-L302 HydrophobicContact CG2-CD2 3.61Å; V262-L302 HydrophobicContact CG2-CD1 4Å; L270-L302 HydrophobicContact CD1-CB 4.33Å; L270-L302 HydrophobicContact CD1-CD1 4Å; F298-L302 WeakPolarHBondContact O-CB 3.3Å; F298-L302 PolarHBondContact O-N 3.23Å; L299-L302 HydrophobicContact CD2-CD2 3.96Å; N300-L302 VanDerWaalsContact C-N 3.33Å; L302-V308 HydrophobicContact CD1-CG1 4.18Å; L302-V308 HydrophobicContact CD1-CG2 4.19Å |
| 303 | K | 91.2 | Very high | 90.2 | Very high | 107 Ų | 107 | 48.2 Ų | 48.2 | 47% | 0.465 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -94.3 | -17.7 | 178.5 | -66.6 | 172.9 | -173.8 | 165.5 | 0 | 113.4 | L299 N300 L301 I313 | L299-K303 VanDerWaalsContact O-CD 3.24Å; L299-K303 WeakPolarHBondContact O-CD 3.24Å; L299-K303 WeakPolarHBondContact O-CE 3.45Å; L299-K303 WeakPolarHBondContact O-CG 3.46Å; N300-K303 PolarHBondContact O-N 2.88Å; N300-K303 VanDerWaalsContact O-N 3.09Å; L301-K303 PolarHBondContact O-N 3.45Å; K303-I313 HydrophobicContact CG-CG2 4.42Å |
| 304 | N | 89.4 | Confident | 90.2 | Very high | 103 Ų | 103 | 52.5 Ų | 52.5 | 55% | 0.551 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -102.6 | -27.6 | -177.6 | -66.8 | -5.7 | 0 | 0 | 0 | 112.3 | N300 L301 P306 | N300-N304 PolarHBondContact ND2-ND2 3.42Å; N300-N304 VanDerWaalsContact O-CG 3.32Å; N300-N304 PolarHBondContact O-N 3.27Å; L301-N304 CarbonylContact O-C 3.56Å; L301-N304 WeakPolarHBondContact O-CA 3.49Å; L301-N304 PolarHBondContact O-N 3.26Å; N304-P306 WeakPolarHBondContact O-CD 3.42Å |
| 305 | T | 86.6 | Confident | 90.2 | Very high | 25 Ų | 25 | 58.8 Ų | 58.8 | 15% | 0.153 | 31% | 0.311 | C | S | . | . | trans | -63.2 | 115.2 | 178.5 | 45.2 | 0 | 0 | 0 | 0 | 110.9 | L270 L301 S307 V308 | L270-T305 HydrophobicContact CD2-CG2 3.71Å; L301-T305 WeakPolarHBondContact O-CG2 3.31Å; L301-T305 PolarHBondContact O-N 2.92Å; L301-T305 PolarHBondContact O-OG1 2.81Å; T305-S307 PolarHBondContact O-N 2.87Å; T305-S307 VanDerWaalsContact O-N 3.13Å; T305-V308 PolarHBondContact O-N 2.68Å; T305-V308 VanDerWaalsContact O-N 3.12Å | ||
| 306 | P | 80.6 | Confident | 90.2 | Very high | 131 Ų | 131 | 58.8 Ų | 58.8 | 85% | 0.851 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -14.2 | -176.9 | 28.3 | -35.4 | 0 | 0 | 0 | 113.2 | N304 V308 | N304-P306 WeakPolarHBondContact O-CD 3.42Å; P306-V308 PolarHBondContact O-N 3.41Å |
| 307 | S | 82.2 | Confident | 90.3 | Very high | 80 Ų | 80 | 60.3 Ų | 60.3 | 56% | 0.559 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -14.7 | 172.2 | -52.1 | 0 | 0 | 0 | 0 | 114.2 | T305 | T305-S307 PolarHBondContact O-N 2.87Å; T305-S307 VanDerWaalsContact O-N 3.13Å |
| 308 | V | 86.8 | Confident | 90.2 | Very high | 10 Ų | 10 | 65 Ų | 65 | 6% | 0.061 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -110.8 | 117.2 | -179.4 | -169.4 | 0 | 0 | 0 | 0 | 109.7 | V262 L302 T305 P306 Q312 I313 | V262-V308 HydrophobicContact CG1-CG2 3.72Å; V262-V308 HydrophobicContact CG2-CG1 4.02Å; V262-V308 HydrophobicContact CG2-CG2 4.48Å; L302-V308 HydrophobicContact CD1-CG1 4.18Å; L302-V308 HydrophobicContact CD1-CG2 4.19Å; T305-V308 PolarHBondContact O-N 2.68Å; T305-V308 VanDerWaalsContact O-N 3.12Å; P306-V308 PolarHBondContact O-N 3.41Å; V308-Q312 HydrophobicContact CG1-CB 3.93Å; V308-I313 HydrophobicContact CG1-CD1 4.44Å; V308-I313 HydrophobicContact CG1-CG1 3.85Å |
| 309 | S | 90.2 | Very high | 90 | Very high | 45 Ų | 45 | 69 Ų | 69 | 32% | 0.315 | 36% | 0.356 | S | S | . | . | trans | -68.1 | 149.4 | -177.8 | 65 | 0 | 0 | 0 | 0 | 112.5 | T311 Q312 I313 | S309-T311 PolarHBondContact O-N 2.94Å; S309-T311 VanDerWaalsContact O-N 3.07Å; S309-T311 PolarHBondContact OG-OG1 3.41Å; S309-Q312 WeakPolarHBondContact O-CB 3.32Å; S309-Q312 PolarHBondContact O-N 3.35Å; S309-Q312 WeakPolarHBondContact OG-CB 3.45Å; S309-Q312 VanDerWaalsContact OG-CG 3.28Å; S309-Q312 WeakPolarHBondContact OG-CG 3.36Å; S309-Q312 PolarHBondContact OG-N 2.68Å; S309-Q312 PolarHBondContact OG-OE1 2.87Å; S309-I313 WeakPolarHBondContact O-CG1 3.09Å; S309-I313 PolarHBondContact O-N 3.02Å | ||
| 310 | K | 90 | Very high | 89.8 | Confident | 176 Ų | 176 | 68.7 Ų | 68.7 | 77% | 0.765 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -58.3 | -23.2 | 175.1 | -63.5 | -178.6 | -177.7 | 177.9 | 0 | 112.6 | K314 | K310-K314 WeakPolarHBondContact O-CB 3.24Å; K310-K314 VanDerWaalsContact O-CG 3.26Å; K310-K314 WeakPolarHBondContact O-CG 3.4Å; K310-K314 PolarHBondContact O-N 3.08Å; K310-K314 VanDerWaalsContact O-N 3.14Å |
| 311 | T | 91.3 | Very high | 89.6 | Confident | 103 Ų | 103 | 75.8 Ų | 75.8 | 63% | 0.632 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -77.8 | -41.8 | 173.8 | 44.3 | 0 | 0 | 0 | 0 | 112.6 | S309 K314 K315 | S309-T311 PolarHBondContact O-N 2.94Å; S309-T311 VanDerWaalsContact O-N 3.07Å; S309-T311 PolarHBondContact OG-OG1 3.41Å; T311-K314 PolarHBondContact O-N 3.47Å; T311-K315 PolarHBondContact O-N 2.88Å |
| 312 | Q | 90.6 | Very high | 89.4 | Confident | 60 Ų | 60 | 79 Ų | 79 | 28% | 0.28 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -58.5 | -47.6 | 169.8 | -78.6 | 164.3 | -67.4 | 0 | 0 | 111.4 | V261 V308 S309 K314 K315 I316 | V261-Q312 HydrophobicContact CG1-CB 3.67Å; V261-Q312 HydrophobicContact CG1-CG 3.71Å; V261-Q312 PolarHBondContact O-NE2 3.09Å; V308-Q312 HydrophobicContact CG1-CB 3.93Å; S309-Q312 WeakPolarHBondContact O-CB 3.32Å; S309-Q312 PolarHBondContact O-N 3.35Å; S309-Q312 WeakPolarHBondContact OG-CB 3.45Å; S309-Q312 VanDerWaalsContact OG-CG 3.28Å; S309-Q312 WeakPolarHBondContact OG-CG 3.36Å; S309-Q312 PolarHBondContact OG-N 2.68Å; S309-Q312 PolarHBondContact OG-OE1 2.87Å; Q312-K314 VanDerWaalsContact C-N 3.33Å; Q312-K314 PolarHBondContact O-N 3.34Å; Q312-K315 WeakPolarHBondContact O-CB 3.47Å; Q312-K315 PolarHBondContact O-N 3.35Å; Q312-K315 VanDerWaalsContact O-N 3.09Å; Q312-I316 WeakPolarHBondContact O-CG1 3.32Å; Q312-I316 PolarHBondContact O-N 3.25Å |
| 313 | I | 91.9 | Very high | 89.1 | Confident | 28 Ų | 28 | 82.8 Ų | 82.8 | 14% | 0.144 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -56.7 | -47.4 | 175.8 | -64 | 166.1 | 0 | 0 | 0 | 110.5 | K303 V308 S309 K315 I316 F317 | K303-I313 HydrophobicContact CG-CG2 4.42Å; V308-I313 HydrophobicContact CG1-CD1 4.44Å; V308-I313 HydrophobicContact CG1-CG1 3.85Å; S309-I313 WeakPolarHBondContact O-CG1 3.09Å; S309-I313 PolarHBondContact O-N 3.02Å; I313-K315 VanDerWaalsContact C-N 3.35Å; I313-K315 PolarHBondContact O-N 3.22Å; I313-I316 PolarHBondContact O-N 2.84Å; I313-F317 HydrophobicContact CG2-CD2 3.89Å; I313-F317 HydrophobicContact CG2-CE2 4.07Å; I313-F317 VanDerWaalsContact O-CD2 3.32Å; I313-F317 WeakPolarHBondContact O-CD2 3.42Å; I313-F317 PolarHBondContact O-N 3.45Å |
| 314 | K | 91.2 | Very high | 88.9 | Confident | 156 Ų | 156 | 80.8 Ų | 80.8 | 68% | 0.678 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -58.9 | -42.6 | 175.4 | -78 | 174 | -179.4 | -174.7 | 0 | 112.2 | K310 T311 Q312 I316 F317 L318 | K310-K314 WeakPolarHBondContact O-CB 3.24Å; K310-K314 VanDerWaalsContact O-CG 3.26Å; K310-K314 WeakPolarHBondContact O-CG 3.4Å; K310-K314 PolarHBondContact O-N 3.08Å; K310-K314 VanDerWaalsContact O-N 3.14Å; T311-K314 PolarHBondContact O-N 3.47Å; Q312-K314 VanDerWaalsContact C-N 3.33Å; Q312-K314 PolarHBondContact O-N 3.34Å; K314-I316 PolarHBondContact O-N 3.39Å; K314-F317 PolarHBondContact O-N 2.82Å; K314-L318 VanDerWaalsContact O-CB 3.27Å; K314-L318 WeakPolarHBondContact O-CB 3.3Å; K314-L318 PolarHBondContact O-N 2.92Å |
| 315 | K | 91.9 | Very high | 88.8 | Confident | 132 Ų | 132 | 78.1 Ų | 78.1 | 57% | 0.574 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -60 | -44.6 | 178.1 | -173.8 | 179.6 | 175.3 | -171.4 | 0 | 112.1 | V261 T311 Q312 I313 F317 | V261-K315 HydrophobicContact CG1-CD 4.38Å; V261-K315 HydrophobicContact CG2-CD 3.9Å; V261-K315 HydrophobicContact CG2-CG 4.29Å; T311-K315 PolarHBondContact O-N 2.88Å; Q312-K315 WeakPolarHBondContact O-CB 3.47Å; Q312-K315 PolarHBondContact O-N 3.35Å; Q312-K315 VanDerWaalsContact O-N 3.09Å; I313-K315 VanDerWaalsContact C-N 3.35Å; I313-K315 PolarHBondContact O-N 3.22Å; K315-F317 PolarHBondContact O-N 3.34Å |
| 316 | I | 91.7 | Very high | 88.9 | Confident | 0 Ų | 0 | 83.9 Ų | 83.9 | 0% | 0 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -61.7 | -43.4 | -179.8 | -66.3 | 158.8 | 0 | 0 | 0 | 112 | L254 R257 V258 V261 V262 Q312 I313 K314 | L254-I316 HydrophobicContact CD1-CG2 3.94Å; R257-I316 HydrophobicContact CB-CG2 4.49Å; R257-I316 PolarHBondContact NE-O 3.31Å; V258-I316 HydrophobicContact CG2-CD1 4.25Å; V258-I316 HydrophobicContact CG2-CG2 3.69Å; V261-I316 HydrophobicContact CB-CD1 4.11Å; V261-I316 HydrophobicContact CB-CG1 3.8Å; V261-I316 HydrophobicContact CG1-CD1 4.02Å; V261-I316 HydrophobicContact CG1-CG1 3.89Å; V261-I316 HydrophobicContact CG2-CG1 4.15Å; V262-I316 HydrophobicContact CG2-CD1 3.78Å; Q312-I316 WeakPolarHBondContact O-CG1 3.32Å; Q312-I316 PolarHBondContact O-N 3.25Å; I313-I316 PolarHBondContact O-N 2.84Å; K314-I316 PolarHBondContact O-N 3.39Å |
| 317 | F | 92 | Very high | 89.4 | Confident | 49 Ų | 49 | 81.1 Ų | 81.1 | 22% | 0.215 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -92.6 | -10.5 | -174.6 | -70.2 | -70.6 | 0 | 0 | 0 | 114.8 | L254 L299 I313 K314 K315 E319 E320 Y321 | L254-F317 HydrophobicContact CD1-CD1 4.14Å; L254-F317 HydrophobicContact CD1-CE1 4.11Å; L254-F317 HydrophobicContact CD2-CE1 4.25Å; L299-F317 HydrophobicContact CD2-CZ 4.16Å; I313-F317 HydrophobicContact CG2-CD2 3.89Å; I313-F317 HydrophobicContact CG2-CE2 4.07Å; I313-F317 VanDerWaalsContact O-CD2 3.32Å; I313-F317 WeakPolarHBondContact O-CD2 3.42Å; I313-F317 PolarHBondContact O-N 3.45Å; K314-F317 PolarHBondContact O-N 2.82Å; K315-F317 PolarHBondContact O-N 3.34Å; F317-E319 PolarHBondContact O-N 3.28Å; F317-E320 PolarHBondContact O-N 2.72Å; F317-Y321 WeakPolarHBondContact O-CB 3.3Å; F317-Y321 PolarHBondContact O-N 2.9Å |
| 318 | L | 90.8 | Very high | 89.7 | Confident | 97 Ų | 97 | 83.2 Ų | 83.2 | 51% | 0.508 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -60.2 | -47.3 | -176.2 | 176.8 | 62.2 | 0 | 0 | 0 | 112.7 | K314 Y321 Q322 | K314-L318 VanDerWaalsContact O-CB 3.27Å; K314-L318 WeakPolarHBondContact O-CB 3.3Å; K314-L318 PolarHBondContact O-N 2.92Å; L318-Y321 PolarHBondContact O-N 2.96Å; L318-Q322 WeakPolarHBondContact O-CG 3.32Å; L318-Q322 PolarHBondContact O-N 2.86Å |
| 319 | E | 89 | Confident | 90 | Very high | 84 Ų | 84 | 89.3 Ų | 89.3 | 39% | 0.393 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64.6 | -43.1 | -179.3 | -160.1 | -153.7 | 139.4 | 0 | 0 | 111.1 | R257 F317 Y321 Q322 R323 | R257-E319 WeakPolarHBondContact CD-OE2 3.37Å; R257-E319 IonicContact CZ-OE2 3.05Å; R257-E319 IonicContact NE-OE2 3.3Å; R257-E319 IonicContact NH1-OE1 2.71Å; R257-E319 IonicContact NH1-OE2 3.96Å; R257-E319 PolarHBondContact NH1-OE2 3.28Å; F317-E319 PolarHBondContact O-N 3.28Å; E319-Y321 VanDerWaalsContact C-N 3.32Å; E319-Y321 PolarHBondContact O-N 3.26Å; E319-Q322 WeakPolarHBondContact O-CB 3.48Å; E319-Q322 PolarHBondContact O-N 3.13Å; E319-Q322 VanDerWaalsContact O-N 3.16Å; E319-R323 WeakPolarHBondContact O-CB 3.42Å; E319-R323 PolarHBondContact O-N 3.3Å; E319-R323 IonicContact OE1-CZ 3.25Å; E319-R323 IonicContact OE1-NE 3.12Å; E319-R323 IonicContact OE1-NH2 3.29Å; E319-R323 PolarHBondContact OE1-NH2 3.35Å |
| 320 | E | 89.9 | Confident | 90.1 | Very high | 17 Ų | 17 | 89.4 Ų | 89.4 | 8% | 0.079 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -63.4 | -38.6 | 178.1 | -156.9 | 60.7 | -130.7 | 0 | 0 | 111.3 | K251 R257 F317 R323 D324 | K251-E320 IonicContact NZ-OE1 2.65Å; K251-E320 PolarHBondContact NZ-OE1 3.45Å; R257-E320 IonicContact NH2-OE2 3.62Å; R257-E320 PolarHBondContact NH2-OE2 3.46Å; F317-E320 PolarHBondContact O-N 2.72Å; E320-R323 WeakPolarHBondContact O-CB 3.41Å; E320-R323 PolarHBondContact O-N 2.81Å; E320-R323 IonicContact OE1-NH1 2.67Å; E320-R323 IonicContact OE2-CZ 2.7Å; E320-R323 IonicContact OE2-NH1 3.64Å; E320-R323 PolarHBondContact OE2-NH1 3.3Å; E320-D324 WeakPolarHBondContact O-CB 3.38Å; E320-D324 PolarHBondContact O-N 3.3Å |
| 321 | Y | 88.3 | Confident | 90.1 | Very high | 166 Ų | 166 | 83 Ų | 83 | 65% | 0.651 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -63.1 | -41.5 | 172.9 | 178 | -94.3 | 0 | 0 | 0 | 112.7 | F317 L318 E319 C325 | F317-Y321 WeakPolarHBondContact O-CB 3.3Å; F317-Y321 PolarHBondContact O-N 2.9Å; L318-Y321 PolarHBondContact O-N 2.96Å; E319-Y321 VanDerWaalsContact C-N 3.32Å; E319-Y321 PolarHBondContact O-N 3.26Å; Y321-C325 WeakPolarHBondContact O-CB 3.38Å; Y321-C325 PolarHBondContact O-N 3.05Å |
| 322 | Q | 88.7 | Confident | 90.1 | Very high | 91 Ų | 91 | 83.3 Ų | 83.3 | 43% | 0.425 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -64.2 | -42.2 | 174.5 | -67.9 | -177.4 | 29.4 | 0 | 0 | 111.8 | L318 E319 C325 K326 | L318-Q322 WeakPolarHBondContact O-CG 3.32Å; L318-Q322 PolarHBondContact O-N 2.86Å; E319-Q322 WeakPolarHBondContact O-CB 3.48Å; E319-Q322 PolarHBondContact O-N 3.13Å; E319-Q322 VanDerWaalsContact O-N 3.16Å; Q322-C325 WeakPolarHBondContact O-CB 3.48Å; Q322-C325 PolarHBondContact O-N 3.48Å; Q322-K326 WeakPolarHBondContact O-CG 3.29Å; Q322-K326 PolarHBondContact O-N 3.16Å |
| 323 | R | 87.6 | Confident | 90.2 | Very high | 79 Ų | 79 | 88.3 Ų | 88.3 | 30% | 0.298 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -62.1 | -45.4 | 177.3 | -169.1 | -179 | -64.8 | -178.4 | -20.9 | 111.5 | E253 E319 E320 C325 K326 S327 | E253-R323 IonicContact OE1-NH1 3.85Å; E253-R323 IonicContact OE1-NH2 2.89Å; E253-R323 IonicContact OE2-CZ 3.41Å; E253-R323 IonicContact OE2-NH1 2.61Å; E253-R323 PolarHBondContact OE2-NH1 3.32Å; E253-R323 IonicContact OE2-NH2 2.79Å; E253-R323 PolarHBondContact OE2-NH2 2.95Å; E319-R323 WeakPolarHBondContact O-CB 3.42Å; E319-R323 PolarHBondContact O-N 3.3Å; E319-R323 IonicContact OE1-CZ 3.25Å; E319-R323 IonicContact OE1-NE 3.12Å; E319-R323 IonicContact OE1-NH2 3.29Å; E319-R323 PolarHBondContact OE1-NH2 3.35Å; E320-R323 WeakPolarHBondContact O-CB 3.41Å; E320-R323 PolarHBondContact O-N 2.81Å; E320-R323 IonicContact OE1-NH1 2.67Å; E320-R323 IonicContact OE2-CZ 2.7Å; E320-R323 IonicContact OE2-NH1 3.64Å; E320-R323 PolarHBondContact OE2-NH1 3.3Å; R323-C325 VanDerWaalsContact C-N 3.34Å; R323-C325 PolarHBondContact O-N 3.31Å; R323-K326 PolarHBondContact O-N 3Å; R323-S327 WeakPolarHBondContact O-CB 3.35Å; R323-S327 PolarHBondContact O-N 3.29Å |
| 324 | D | 86.7 | Confident | 90 | Very high | 65 Ų | 65 | 96 Ų | 96 | 35% | 0.348 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -59.9 | -40.8 | 172.6 | -115.9 | 32 | 0 | 0 | 0 | 112.3 | E320 S327 K328 | E320-D324 WeakPolarHBondContact O-CB 3.38Å; E320-D324 PolarHBondContact O-N 3.3Å; D324-S327 PolarHBondContact O-N 2.89Å; D324-K328 WeakPolarHBondContact O-CB 3.45Å; D324-K328 VanDerWaalsContact O-CD 3.31Å; D324-K328 WeakPolarHBondContact O-CD 3.26Å; D324-K328 WeakPolarHBondContact O-CG 3.44Å; D324-K328 PolarHBondContact O-N 2.96Å; D324-K328 WeakPolarHBondContact OD2-CE 3.18Å; D324-K328 IonicContact OD2-NZ 2.68Å; D324-K328 PolarHBondContact OD2-NZ 3.44Å |
| 325 | C | 86.4 | Confident | 89.8 | Confident | 47 Ų | 47 | 98.3 Ų | 98.3 | 32% | 0.318 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -65.1 | -45.7 | 176.9 | -175.3 | 0 | 0 | 0 | 0 | 111.9 | Y321 Q322 R323 K328 K329 | Y321-C325 WeakPolarHBondContact O-CB 3.38Å; Y321-C325 PolarHBondContact O-N 3.05Å; Q322-C325 WeakPolarHBondContact O-CB 3.48Å; Q322-C325 PolarHBondContact O-N 3.48Å; R323-C325 VanDerWaalsContact C-N 3.34Å; R323-C325 PolarHBondContact O-N 3.31Å; C325-K328 PolarHBondContact O-N 2.99Å; C325-K329 WeakPolarHBondContact O-CG 3.27Å; C325-K329 PolarHBondContact O-N 2.67Å; C325-K329 VanDerWaalsContact O-N 3.09Å |
| 326 | K | 90 | Very high | 89.6 | Confident | 146 Ų | 146 | 100.3 Ų | 100.3 | 64% | 0.635 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -58.9 | -46.3 | 173 | -69.7 | 170.3 | -178 | 176.8 | 0 | 110.9 | Q322 R323 K329 A330 | Q322-K326 WeakPolarHBondContact O-CG 3.29Å; Q322-K326 PolarHBondContact O-N 3.16Å; R323-K326 PolarHBondContact O-N 3Å; K326-K329 PolarHBondContact O-N 3.43Å; K326-A330 WeakPolarHBondContact O-CB 3.29Å; K326-A330 PolarHBondContact O-N 3.42Å |
| 327 | S | 89.5 | Confident | 89.7 | Confident | 73 Ų | 73 | 105.4 Ų | 105.4 | 51% | 0.51 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.5 | -46.8 | 177.5 | -177.4 | 0 | 0 | 0 | 0 | 112.7 | R323 D324 K329 A330 A331 | R323-S327 WeakPolarHBondContact O-CB 3.35Å; R323-S327 PolarHBondContact O-N 3.29Å; D324-S327 PolarHBondContact O-N 2.89Å; S327-K329 PolarHBondContact O-N 2.95Å; S327-A330 PolarHBondContact O-N 3.27Å; S327-A331 WeakPolarHBondContact O-CB 3.16Å; S327-A331 PolarHBondContact O-N 3.2Å |
| 328 | K | 89.8 | Confident | 89.7 | Confident | 123 Ų | 123 | 107 Ų | 107 | 54% | 0.535 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.4 | -44.7 | 176.5 | -73.3 | 158.7 | -167.3 | 160.2 | 0 | 111.8 | D324 C325 A331 Q332 | D324-K328 WeakPolarHBondContact O-CB 3.45Å; D324-K328 VanDerWaalsContact O-CD 3.31Å; D324-K328 WeakPolarHBondContact O-CD 3.26Å; D324-K328 WeakPolarHBondContact O-CG 3.44Å; D324-K328 PolarHBondContact O-N 2.96Å; D324-K328 WeakPolarHBondContact OD2-CE 3.18Å; D324-K328 IonicContact OD2-NZ 2.68Å; D324-K328 PolarHBondContact OD2-NZ 3.44Å; C325-K328 PolarHBondContact O-N 2.99Å; K328-A331 PolarHBondContact O-N 2.78Å; K328-Q332 WeakPolarHBondContact O-CB 3.33Å; K328-Q332 PolarHBondContact O-N 3.44Å |
| 329 | K | 92.4 | Very high | 89.7 | Confident | 139 Ų | 139 | 108.2 Ų | 108.2 | 60% | 0.604 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.5 | -45 | 175.3 | -70.9 | 176.1 | 179 | -177.1 | 0 | 111.9 | C325 K326 S327 Q332 K333 | C325-K329 WeakPolarHBondContact O-CG 3.27Å; C325-K329 PolarHBondContact O-N 2.67Å; C325-K329 VanDerWaalsContact O-N 3.09Å; K326-K329 PolarHBondContact O-N 3.43Å; S327-K329 PolarHBondContact O-N 2.95Å; K329-Q332 PolarHBondContact O-N 3.25Å; K329-K333 PolarHBondContact O-N 2.92Å |
| 330 | A | 91.7 | Very high | 89.8 | Confident | 47 Ų | 47 | 106.9 Ų | 106.9 | 39% | 0.388 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.2 | -43.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | K326 S327 Q332 K333 R334 | K326-A330 WeakPolarHBondContact O-CB 3.29Å; K326-A330 PolarHBondContact O-N 3.42Å; S327-A330 PolarHBondContact O-N 3.27Å; A330-Q332 VanDerWaalsContact C-N 3.33Å; A330-Q332 PolarHBondContact O-N 3.39Å; A330-K333 PolarHBondContact O-N 3Å; A330-R334 WeakPolarHBondContact O-CG 3.29Å; A330-R334 PolarHBondContact O-N 3.42Å |
| 331 | A | 90.9 | Very high | 89.9 | Confident | 42 Ų | 42 | 112 Ų | 112 | 35% | 0.347 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.1 | -37.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | S327 K328 R334 R335 | S327-A331 WeakPolarHBondContact O-CB 3.16Å; S327-A331 PolarHBondContact O-N 3.2Å; K328-A331 PolarHBondContact O-N 2.78Å; A331-R334 PolarHBondContact O-N 3.38Å; A331-R335 WeakPolarHBondContact O-CG 3.43Å; A331-R335 PolarHBondContact O-N 2.92Å |
| 332 | Q | 91.1 | Very high | 90 | Very high | 108 Ų | 108 | 110.7 Ų | 110.7 | 51% | 0.505 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.1 | -43.1 | 173.8 | -166.2 | -177.7 | 24.6 | 0 | 0 | 111.9 | K328 K329 A330 R335 R336 | K328-Q332 WeakPolarHBondContact O-CB 3.33Å; K328-Q332 PolarHBondContact O-N 3.44Å; K329-Q332 PolarHBondContact O-N 3.25Å; A330-Q332 VanDerWaalsContact C-N 3.33Å; A330-Q332 PolarHBondContact O-N 3.39Å; Q332-R335 PolarHBondContact O-N 3.04Å; Q332-R336 WeakPolarHBondContact O-CG 3.32Å; Q332-R336 PolarHBondContact O-N 2.94Å |
| 333 | K | 92.5 | Very high | 89.8 | Confident | 165 Ų | 165 | 112.3 Ų | 112.3 | 72% | 0.717 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -60 | -45.4 | 173.4 | -172.9 | 176.1 | -179.8 | -179.2 | 0 | 111.3 | K329 A330 R335 R336 H337 | K329-K333 PolarHBondContact O-N 2.92Å; A330-K333 PolarHBondContact O-N 3Å; K333-R335 PolarHBondContact O-N 3.21Å; K333-R336 PolarHBondContact O-N 3.19Å; K333-H337 WeakPolarHBondContact O-CB 3.3Å; K333-H337 PolarHBondContact O-N 2.86Å |
| 334 | R | 88.4 | Confident | 89.9 | Confident | 190 Ų | 190 | 116.5 Ų | 116.5 | 72% | 0.717 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -58.9 | -45.7 | 174.6 | -72.3 | 176.2 | -179.3 | -177.6 | 0 | 112 | A330 A331 H337 V338 | A330-R334 WeakPolarHBondContact O-CG 3.29Å; A330-R334 PolarHBondContact O-N 3.42Å; A331-R334 PolarHBondContact O-N 3.38Å; R334-H337 PolarHBondContact O-N 3.04Å; R334-V338 WeakPolarHBondContact O-CG2 3.43Å; R334-V338 PolarHBondContact O-N 2.97Å |
| 335 | R | 87 | Confident | 89.9 | Confident | 204 Ų | 204 | 119.7 Ų | 119.7 | 77% | 0.77 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -61.4 | -45.9 | 176.2 | -75.6 | 178.2 | -179.2 | -157.5 | 0.7 | 112.7 | A331 Q332 K333 H337 V338 L339 | A331-R335 WeakPolarHBondContact O-CG 3.43Å; A331-R335 PolarHBondContact O-N 2.92Å; Q332-R335 PolarHBondContact O-N 3.04Å; K333-R335 PolarHBondContact O-N 3.21Å; R335-H337 VanDerWaalsContact C-N 3.34Å; R335-H337 PolarHBondContact O-N 2.85Å; R335-V338 PolarHBondContact O-N 2.89Å; R335-L339 WeakPolarHBondContact O-CB 3.37Å; R335-L339 PolarHBondContact O-N 2.83Å |
| 336 | R | 87.4 | Confident | 89.8 | Confident | 175 Ų | 175 | 119.9 Ų | 119.9 | 66% | 0.66 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -59.1 | -44.4 | 175 | -74 | -179.2 | 176.5 | -178.1 | -0.9 | 111.5 | Q332 K333 L339 A340 | Q332-R336 WeakPolarHBondContact O-CG 3.32Å; Q332-R336 PolarHBondContact O-N 2.94Å; K333-R336 PolarHBondContact O-N 3.19Å; R336-L339 PolarHBondContact O-N 2.8Å; R336-A340 WeakPolarHBondContact O-CB 3.45Å; R336-A340 PolarHBondContact O-N 3.47Å |
| 337 | H | 92.8 | Very high | 89.3 | Confident | 107 Ų | 107 | 117.6 Ų | 117.6 | 50% | 0.495 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -65.4 | -41.1 | 178.8 | -179.7 | -132.7 | 0 | 0 | 0 | 113.1 | K333 R334 R335 A340 K341 | K333-H337 WeakPolarHBondContact O-CB 3.3Å; K333-H337 PolarHBondContact O-N 2.86Å; R334-H337 PolarHBondContact O-N 3.04Å; R335-H337 VanDerWaalsContact C-N 3.34Å; R335-H337 PolarHBondContact O-N 2.85Å; H337-A340 PolarHBondContact O-N 3.05Å; H337-K341 WeakPolarHBondContact NE2-CE 3.14Å; H337-K341 PolarHBondContact O-N 3.32Å |
| 338 | V | 93.3 | Very high | 88.9 | Confident | 83 Ų | 83 | 117.3 Ų | 117.3 | 50% | 0.503 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -64.8 | -40.7 | 174.3 | 170.8 | 0 | 0 | 0 | 0 | 111.4 | R334 R335 K341 K342 | R334-V338 WeakPolarHBondContact O-CG2 3.43Å; R334-V338 PolarHBondContact O-N 2.97Å; R335-V338 PolarHBondContact O-N 2.89Å; V338-K341 PolarHBondContact O-N 3.16Å; V338-K342 WeakPolarHBondContact O-CG 3.31Å; V338-K342 PolarHBondContact O-N 2.99Å |
| 339 | L | 89.8 | Confident | 88.3 | Confident | 121 Ų | 121 | 117 Ų | 117 | 63% | 0.634 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -63.9 | -44.8 | 175 | -176.8 | 62.2 | 0 | 0 | 0 | 111.5 | R335 R336 K341 K342 M343 | R335-L339 WeakPolarHBondContact O-CB 3.37Å; R335-L339 PolarHBondContact O-N 2.83Å; R336-L339 PolarHBondContact O-N 2.8Å; L339-K341 PolarHBondContact O-N 3.08Å; L339-K342 PolarHBondContact O-N 2.79Å; L339-M343 WeakPolarHBondContact O-CB 3.28Å; L339-M343 PolarHBondContact O-N 3.48Å |
| 340 | A | 90.8 | Very high | 87.1 | Confident | 56 Ų | 56 | 116 Ų | 116 | 46% | 0.463 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -63.4 | -39.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | R336 H337 M343 K344 | R336-A340 WeakPolarHBondContact O-CB 3.45Å; R336-A340 PolarHBondContact O-N 3.47Å; H337-A340 PolarHBondContact O-N 3.05Å; A340-M343 PolarHBondContact O-N 2.77Å; A340-K344 PolarHBondContact O-N 3.38Å |
| 341 | K | 93.6 | Very high | 85.6 | Confident | 126 Ų | 126 | 119 Ų | 119 | 55% | 0.548 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -61.6 | -46.2 | 172.6 | -81.6 | -167.5 | 167.2 | -168.6 | 0 | 111.8 | H337 V338 L339 M343 K344 Q345 | H337-K341 WeakPolarHBondContact NE2-CE 3.14Å; H337-K341 PolarHBondContact O-N 3.32Å; V338-K341 PolarHBondContact O-N 3.16Å; L339-K341 PolarHBondContact O-N 3.08Å; K341-M343 PolarHBondContact O-N 3.49Å; K341-K344 PolarHBondContact O-N 3.24Å; K341-Q345 WeakPolarHBondContact O-CG 3.45Å; K341-Q345 PolarHBondContact O-N 3.42Å |
| 342 | K | 90.4 | Very high | 84 | Confident | 138 Ų | 138 | 123.3 Ų | 123.3 | 60% | 0.6 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -62.8 | -39.5 | 175.5 | -74.1 | -169.3 | 172 | -157.4 | 0 | 112.8 | V338 L339 Q345 A346 | V338-K342 WeakPolarHBondContact O-CG 3.31Å; V338-K342 PolarHBondContact O-N 2.99Å; L339-K342 PolarHBondContact O-N 2.79Å; K342-Q345 PolarHBondContact O-N 3.3Å; K342-A346 PolarHBondContact O-N 2.9Å |
| 343 | M | 83.1 | Confident | 82.2 | Confident | 124 Ų | 124 | 124.9 Ų | 124.9 | 61% | 0.611 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -65.4 | -44 | 175.7 | -174 | 175.7 | 178.6 | 0 | 0 | 111.6 | L339 A340 K341 Q345 A346 I347 | L339-M343 WeakPolarHBondContact O-CB 3.28Å; L339-M343 PolarHBondContact O-N 3.48Å; A340-M343 PolarHBondContact O-N 2.77Å; K341-M343 PolarHBondContact O-N 3.49Å; M343-Q345 VanDerWaalsContact C-N 3.31Å; M343-Q345 PolarHBondContact O-N 3.09Å; M343-A346 PolarHBondContact O-N 2.92Å; M343-I347 HydrophobicContact CE-CD1 4.13Å; M343-I347 HydrophobicContact CG-CD1 3.95Å; M343-I347 VanDerWaalsContact O-CG1 3.32Å; M343-I347 WeakPolarHBondContact O-CG1 3.38Å; M343-I347 PolarHBondContact O-N 3.12Å |
| 344 | K | 90 | Very high | 80.3 | Confident | 168 Ų | 168 | 123.7 Ų | 123.7 | 73% | 0.73 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -62.5 | -37.8 | 173.7 | -174.7 | 175.2 | -179.8 | 179.7 | 0 | 111.9 | A340 K341 G348 | A340-K344 PolarHBondContact O-N 3.38Å; K341-K344 PolarHBondContact O-N 3.24Å; K344-G348 PolarHBondContact O-N 3.49Å |
| 345 | Q | 88.1 | Confident | 78.4 | Confident | 131 Ų | 131 | 119.6 Ų | 119.6 | 61% | 0.612 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -63.8 | -48.2 | 174.7 | -74.4 | 171.8 | -48 | 0 | 0 | 111.5 | K341 K342 M343 I347 G348 T349 | K341-Q345 WeakPolarHBondContact O-CG 3.45Å; K341-Q345 PolarHBondContact O-N 3.42Å; K342-Q345 PolarHBondContact O-N 3.3Å; M343-Q345 VanDerWaalsContact C-N 3.31Å; M343-Q345 PolarHBondContact O-N 3.09Å; Q345-I347 VanDerWaalsContact C-N 3.35Å; Q345-I347 PolarHBondContact O-N 3.45Å; Q345-G348 PolarHBondContact O-N 2.68Å; Q345-G348 VanDerWaalsContact O-N 3.15Å; Q345-T349 PolarHBondContact O-N 3.36Å; Q345-T349 PolarHBondContact O-OG1 3.26Å |
| 346 | A | 83.5 | Confident | 76.8 | Confident | 52 Ų | 52 | 115.6 Ų | 115.6 | 43% | 0.43 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -62 | -38.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | K342 M343 T349 L350 | K342-A346 PolarHBondContact O-N 2.9Å; M343-A346 PolarHBondContact O-N 2.92Å; A346-T349 WeakPolarHBondContact CA-OG1 3.43Å; A346-T349 PolarHBondContact O-OG1 2.85Å; A346-L350 WeakPolarHBondContact O-CG 3.2Å; A346-L350 PolarHBondContact O-N 3.2Å |
| 347 | I | 80.1 | Confident | 75.2 | Confident | 98 Ų | 98 | 113.1 Ų | 113.1 | 50% | 0.503 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -69.7 | -39.5 | 173.5 | -65.6 | 166 | 0 | 0 | 0 | 110.7 | M343 Q345 T349 L350 | M343-I347 HydrophobicContact CE-CD1 4.13Å; M343-I347 HydrophobicContact CG-CD1 3.95Å; M343-I347 VanDerWaalsContact O-CG1 3.32Å; M343-I347 WeakPolarHBondContact O-CG1 3.38Å; M343-I347 PolarHBondContact O-N 3.12Å; Q345-I347 VanDerWaalsContact C-N 3.35Å; Q345-I347 PolarHBondContact O-N 3.45Å; I347-T349 VanDerWaalsContact C-N 3.28Å; I347-T349 PolarHBondContact O-N 2.84Å; I347-L350 WeakPolarHBondContact O-CB 3.18Å; I347-L350 PolarHBondContact O-N 3.09Å |
| 348 | G | 80.5 | Confident | 73.4 | Confident | 67 Ų | 67 | 113.5 Ų | 113.5 | 69% | 0.691 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -67.7 | -23.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | K344 Q345 | K344-G348 PolarHBondContact O-N 3.49Å; Q345-G348 PolarHBondContact O-N 2.68Å; Q345-G348 VanDerWaalsContact O-N 3.15Å |
| 349 | T | 77.3 | Confident | 71.5 | Confident | 117 Ų | 117 | 114 Ų | 114 | 72% | 0.718 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -83.7 | -14.1 | 169.9 | 47.7 | 0 | 0 | 0 | 0 | 113.6 | Q345 A346 I347 N351 | Q345-T349 PolarHBondContact O-N 3.36Å; Q345-T349 PolarHBondContact O-OG1 3.26Å; A346-T349 WeakPolarHBondContact CA-OG1 3.43Å; A346-T349 PolarHBondContact O-OG1 2.85Å; I347-T349 VanDerWaalsContact C-N 3.28Å; I347-T349 PolarHBondContact O-N 2.84Å; T349-N351 PolarHBondContact O-N 3.36Å |
| 350 | L | 67.6 | Low | 69.7 | Low | 116 Ų | 116 | 118.2 Ų | 118.2 | 61% | 0.607 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -85.5 | 91.9 | 171.1 | -76.8 | 163.2 | 0 | 0 | 0 | 108.6 | A346 I347 L352 | A346-L350 WeakPolarHBondContact O-CG 3.2Å; A346-L350 PolarHBondContact O-N 3.2Å; I347-L350 WeakPolarHBondContact O-CB 3.18Å; I347-L350 PolarHBondContact O-N 3.09Å; L350-L352 HydrophobicContact CB-CD1 3.92Å; L350-L352 VanDerWaalsContact O-CD1 3.25Å; L350-L352 WeakPolarHBondContact O-CD1 3.3Å; L350-L352 PolarHBondContact O-N 3.38Å |
| 351 | N | 59.3 | Low | 67.8 | Low | 110 Ų | 110 | 123 Ų | 123 | 59% | 0.588 | 63% | 0.634 | S | S | * | * | trans | -66.5 | 100.5 | 175.3 | -176.7 | 24.7 | 0 | 0 | 0 | 110.7 | T349 Q353 | T349-N351 PolarHBondContact O-N 3.36Å; N351-Q353 WeakPolarHBondContact OD1-CB 3.33Å; N351-Q353 PolarHBondContact OD1-N 2.85Å | ||
| 352 | L | 58.6 | Low | 66 | Low | 133 Ų | 133 | 122.5 Ų | 122.5 | 70% | 0.696 | 64% | 0.641 | S | S | * | * | trans | -88.6 | -1.2 | 176.9 | -93.5 | 74.9 | 0 | 0 | 0 | 113.8 | L350 E354 | L350-L352 HydrophobicContact CB-CD1 3.92Å; L350-L352 VanDerWaalsContact O-CD1 3.25Å; L350-L352 WeakPolarHBondContact O-CD1 3.3Å; L350-L352 PolarHBondContact O-N 3.38Å; L352-E354 PolarHBondContact O-N 3.38Å | ||
| 353 | Q | 51.8 | Low | 64 | Low | 142 Ų | 142 | 125.3 Ų | 125.3 | 66% | 0.664 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | -16.6 | -166 | -163 | 68.1 | 58.6 | 0 | 0 | 115.2 | N351 H355 | N351-Q353 WeakPolarHBondContact OD1-CB 3.33Å; N351-Q353 PolarHBondContact OD1-N 2.85Å; Q353-H355 PolarHBondContact O-N 2.97Å |
| 354 | E | 53 | Low | 62.7 | Low | 140 Ų | 140 | 123.1 Ų | 123.1 | 65% | 0.654 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | 5.7 | -164.4 | -61.4 | 179.5 | 175.3 | 0 | 0 | 116.1 | L352 | L352-E354 PolarHBondContact O-N 3.38Š|
| 355 | H | 49.6 | Very low | 60.8 | Low | 104 Ų | 104 | 119.8 Ų | 119.8 | 48% | 0.481 | 65% | 0.653 | S | S | . | * | S | Bend | trans | -134.2 | -6.2 | -174.3 | -73.1 | -48.8 | 0 | 0 | 0 | 117.7 | K168 Q353 | K168-H355 PolarHBondContact NZ-NE2 2.91Å; Q353-H355 PolarHBondContact O-N 2.97Å |
| 356 | D | 52.8 | Low | 59.1 | Low | 120 Ų | 120 | 120.4 Ų | 120.4 | 64% | 0.642 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -73.2 | -31.4 | -177.3 | -77.7 | -27 | 0 | 0 | 0 | 113.5 | V358 S359 | D356-V358 VanDerWaalsContact C-N 3.29Å; D356-V358 PolarHBondContact O-N 2.91Å; D356-S359 PolarHBondContact O-N 2.91Å |
| 357 | D | 53.6 | Low | 57.9 | Low | 122 Ų | 122 | 123.4 Ų | 123.4 | 65% | 0.652 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -62.6 | -32 | -175.3 | -68.8 | -43 | 0 | 0 | 0 | 113.6 | S359 | D357-S359 VanDerWaalsContact C-N 3.28Å; D357-S359 PolarHBondContact O-N 3.28Å |
| 358 | V | 55.7 | Low | 56.4 | Low | 115 Ų | 115 | 125.3 Ų | 125.3 | 70% | 0.697 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -73 | -20.1 | -177.3 | -174 | 0 | 0 | 0 | 0 | 112.7 | D356 | D356-V358 VanDerWaalsContact C-N 3.29Å; D356-V358 PolarHBondContact O-N 2.91Å |
| 359 | S | 52.5 | Low | 55 | Low | 94 Ų | 94 | 131.1 Ų | 131.1 | 66% | 0.657 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -95.4 | 1.5 | -176.2 | -56.9 | 0 | 0 | 0 | 0 | 113.6 | D356 D357 | D356-S359 PolarHBondContact O-N 2.91Å; D357-S359 VanDerWaalsContact C-N 3.28Å; D357-S359 PolarHBondContact O-N 3.28Å |
| 360 | R | 51.4 | Low | 53.5 | Low | 209 Ų | 209 | 129.8 Ų | 129.8 | 79% | 0.789 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -104.2 | -14.2 | -171.5 | -170.3 | 163 | 166.2 | -102 | -7.4 | 114.5 | ||
| 361 | E | 51.6 | Low | 52.4 | Low | 158 Ų | 158 | 131.3 Ų | 131.3 | 74% | 0.738 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -89.2 | -23.1 | -178.5 | -60.2 | -164.7 | 139.7 | 0 | 0 | 114.2 | F363 | E361-F363 VanDerWaalsContact C-N 3.34Å; E361-F363 PolarHBondContact O-N 3.36Å |
| 362 | T | 55.4 | Low | 51.5 | Low | 114 Ų | 114 | 135.8 Ų | 135.8 | 70% | 0.699 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | -4.5 | -168.4 | 50.3 | 0 | 0 | 0 | 0 | 115.8 | ||
| 363 | F | 49.7 | Very low | 50.7 | Low | 198 Ų | 198 | 134.3 Ų | 134.3 | 87% | 0.868 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.9 | -2.3 | -176.1 | -139.7 | -89.9 | 0 | 0 | 0 | 114.3 | E361 | E361-F363 VanDerWaalsContact C-N 3.34Å; E361-F363 PolarHBondContact O-N 3.36Å |
| 364 | A | 54.7 | Low | 50.2 | Low | 77 Ų | 77 | 133.8 Ų | 133.8 | 64% | 0.636 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -98.3 | -19 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 365 | S | 50.9 | Low | 49.5 | Very low | 98 Ų | 98 | 132.1 Ų | 132.1 | 69% | 0.685 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -88.7 | -20.2 | -167.6 | -51.6 | 0 | 0 | 0 | 0 | 114.9 | T367 | S365-T367 VanDerWaalsContact C-N 3.27Å; S365-T367 PolarHBondContact O-N 3.28Å; S365-T367 VanDerWaalsContact O-N 3.09Å |
| 366 | D | 52.5 | Low | 48.8 | Very low | 144 Ų | 144 | 132.3 Ų | 132.3 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | 38.4 | -164.5 | -155.6 | 21 | 0 | 0 | 0 | 113.6 | ||
| 367 | T | 56.7 | Low | 48 | Very low | 116 Ų | 116 | 130 Ų | 130 | 71% | 0.712 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.3 | -4.4 | 179.1 | 55.6 | 0 | 0 | 0 | 0 | 114.4 | S365 | S365-T367 VanDerWaalsContact C-N 3.27Å; S365-T367 PolarHBondContact O-N 3.28Å; S365-T367 VanDerWaalsContact O-N 3.09Å |
| 368 | N | 50.3 | Low | 47.3 | Very low | 137 Ų | 137 | 131.3 Ų | 131.3 | 73% | 0.733 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -92.8 | -17 | -177.1 | -164.4 | 60.4 | 0 | 0 | 0 | 114.2 | A370 | N368-A370 VanDerWaalsContact C-N 3.26Å; N368-A370 PolarHBondContact O-N 2.92Å |
| 369 | E | 50.6 | Low | 46.6 | Very low | 190 Ų | 190 | 134.6 Ų | 134.6 | 89% | 0.888 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | 1.6 | -178 | -151.4 | 174.2 | 147.1 | 0 | 0 | 113.6 | ||
| 370 | A | 44.4 | Very low | 46 | Very low | 88 Ų | 88 | 138.4 Ų | 138.4 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | 2.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | N368 | N368-A370 VanDerWaalsContact C-N 3.26Å; N368-A370 PolarHBondContact O-N 2.92Å |
| 371 | L | 44.6 | Very low | 45.6 | Very low | 149 Ų | 149 | 133.5 Ų | 133.5 | 78% | 0.78 | 79% | 0.785 | S | S | * | * | trans | -119.4 | -6.2 | -170.3 | -80 | 173 | 0 | 0 | 0 | 116.6 | S373 | L371-S373 PolarHBondContact O-N 3.17Š| ||
| 372 | E | 42.1 | Very low | 45.4 | Very low | 203 Ų | 203 | 132 Ų | 132 | 95% | 0.949 | 79% | 0.79 | S | S | * | * | trans | -86 | 83.7 | 171.3 | -72.8 | -154.6 | 137.2 | 0 | 0 | 112 | ||||
| 373 | S | 39.9 | Very low | 44.8 | Very low | 103 Ų | 103 | 132.2 Ų | 132.2 | 72% | 0.72 | 79% | 0.79 | S | S | * | * | trans | -136.6 | 126 | 156.5 | 62.5 | 0 | 0 | 0 | 0 | 110.6 | L371 | L371-S373 PolarHBondContact O-N 3.17Š| ||
| 374 | P | 42.2 | Very low | 44.8 | Very low | 130 Ų | 130 | 129 Ų | 129 | 84% | 0.844 | 79% | 0.787 | S | S | * | * | trans | -86.8 | 122 | -166.5 | 31.1 | -34.6 | 0 | 0 | 0 | 114.4 | ||||
| 375 | A | 38.2 | Very low | 44.4 | Very low | 106 Ų | 106 | 134.7 Ų | 134.7 | 88% | 0.876 | 79% | 0.793 | S | S | * | * | trans | 34.1 | 97.1 | 142.7 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 376 | A | 34.8 | Very low | 44.3 | Very low | 107 Ų | 107 | 136.2 Ų | 136.2 | 88% | 0.884 | 79% | 0.793 | S | S | * | * | trans | -152.2 | 137.5 | 136.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 377 | G | 36.4 | Very low | 44.3 | Very low | 73 Ų | 73 | 135.4 Ų | 135.4 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | cis | 155.6 | 67.3 | -3.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 378 | T | 38.2 | Very low | 44.2 | Very low | 149 Ų | 149 | 133.6 Ų | 133.6 | 91% | 0.914 | 80% | 0.796 | S | S | * | * | trans | -152.6 | 155.7 | 167 | 17 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 379 | E | 41.1 | Very low | 44.1 | Very low | 183 Ų | 183 | 133 Ų | 133 | 86% | 0.855 | 79% | 0.793 | S | S | * | * | trans | -109.4 | 148.8 | -172.7 | -62.1 | 160 | -142 | 0 | 0 | 110.5 | ||||
| 380 | E | 40.1 | Very low | 44.1 | Very low | 175 Ų | 175 | 131.5 Ų | 131.5 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | 170.6 | 133.7 | 120.3 | -92.7 | -161.9 | 123.9 | 0 | 0 | 114.1 | |||||
| 381 | T | 43.1 | Very low | 44.1 | Very low | 105 Ų | 105 | 135.8 Ų | 135.8 | 64% | 0.644 | 80% | 0.795 | S | S | * | * | trans | 50.1 | 120.1 | 150.6 | 63.6 | 0 | 0 | 0 | 0 | 121.8 | V383 | T381-V383 PolarHBondContact O-N 3.46Š| ||
| 382 | P | 46.8 | Very low | 44.2 | Very low | 127 Ų | 127 | 134 Ų | 134 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | trans | -82.1 | 106.2 | 165.2 | 32.7 | -31.2 | 0 | 0 | 0 | 111.6 | V384 | P382-V384 PolarHBondContact O-N 3.37Š| ||
| 383 | V | 43.8 | Very low | 44 | Very low | 118 Ų | 118 | 137.6 Ų | 137.6 | 72% | 0.715 | 80% | 0.803 | S | S | * | * | trans | -81.1 | 103.3 | 171.1 | 175.7 | 0 | 0 | 0 | 0 | 109.7 | T381 Y385 | T381-V383 PolarHBondContact O-N 3.46Å; V383-Y385 HydrophobicContact CG1-CD2 3.9Å; V383-Y385 HydrophobicContact CG1-CE2 4.36Å | ||
| 384 | V | 49.5 | Very low | 44.3 | Very low | 131 Ų | 131 | 139.4 Ų | 139.4 | 79% | 0.794 | 81% | 0.807 | S | S | * | * | trans | -73.1 | 123.2 | 169.8 | 178.1 | 0 | 0 | 0 | 0 | 108.9 | P382 | P382-V384 PolarHBondContact O-N 3.37Š| ||
| 385 | Y | 45.3 | Very low | 44.4 | Very low | 197 Ų | 197 | 139.8 Ų | 139.8 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | trans | -117.5 | 145.4 | 165 | -113.9 | -98.3 | 0 | 0 | 0 | 111.7 | V383 | V383-Y385 HydrophobicContact CG1-CD2 3.9Å; V383-Y385 HydrophobicContact CG1-CE2 4.36Å | ||
| 386 | N | 48.6 | Very low | 44.7 | Very low | 129 Ų | 129 | 141.7 Ų | 141.7 | 69% | 0.69 | 80% | 0.802 | S | S | * | * | trans | -91 | 146.9 | -166.3 | -165.4 | 11.3 | 0 | 0 | 0 | 111.4 | A388 | N386-A388 PolarHBondContact O-N 3.43Š| ||
| 387 | S | 53.8 | Low | 45.3 | Very low | 128 Ų | 128 | 143.8 Ų | 143.8 | 90% | 0.895 | 80% | 0.797 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | 47.2 | -171.7 | -49.5 | 0 | 0 | 0 | 0 | 113.8 | ||
| 388 | A | 54.2 | Low | 45.8 | Very low | 78 Ų | 78 | 148.2 Ų | 148.2 | 65% | 0.645 | 80% | 0.8 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.1 | 3.3 | -170.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | N386 | N386-A388 PolarHBondContact O-N 3.43Š|
| 389 | D | 47.3 | Very low | 46.3 | Very low | 123 Ų | 123 | 148.1 Ų | 148.1 | 66% | 0.658 | 79% | 0.792 | S | S | * | * | trans | -133.9 | 129.9 | 177.4 | -83.3 | -53.8 | 0 | 0 | 0 | 107.6 | ||||
| 390 | L | 50.7 | Low | 46.7 | Very low | 160 Ų | 160 | 145.6 Ų | 145.6 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | cis | -138.5 | 149.9 | 2.6 | -86.6 | 150.2 | 0 | 0 | 0 | 110.4 | ||||
| 391 | E | 46.4 | Very low | 47.2 | Very low | 178 Ų | 178 | 143.4 Ų | 143.4 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | trans | -80.4 | 168.6 | 161.9 | -61.4 | -175.7 | 131.1 | 0 | 0 | 111.2 | ||||
| 392 | V | 46.5 | Very low | 47.6 | Very low | 112 Ų | 112 | 146.6 Ų | 146.6 | 68% | 0.679 | 80% | 0.797 | S | S | * | * | trans | 69.8 | 104.2 | 166.2 | -166 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 393 | F | 38 | Very low | 47.6 | Very low | 278 Ų | 278 | 148.4 Ų | 148.4 | 100% | 1.219 | 79% | 0.794 | S | S | * | * | -162.5 | 0 | 99.4 | -101.5 | -66.7 | 0 | 0 | 0 | 112.4 |
Retrieved 393 of 393 residues in 228.4 ms
(Link to these results)