| 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 | 36.5 | Very low | 43.4 | Very low | 249 Ų | 249 | 151.2 Ų | 151.2 | 100% | 1.227 | 86% | 0.864 | S | S | * | * | 0 | 134.7 | 0 | -80.3 | 174.8 | 169.2 | 0 | 0 | 108 | |||||
| 2 | A | 38.8 | Very low | 43.5 | Very low | 100 Ų | 100 | 152 Ų | 152 | 83% | 0.826 | 86% | 0.862 | S | S | * | * | trans | -61.1 | 152.4 | -152.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 3 | P | 43.2 | Very low | 44 | Very low | 131 Ų | 131 | 154 Ų | 154 | 85% | 0.851 | 87% | 0.868 | S | S | * | * | trans | -93.9 | 149.8 | 157.3 | 35.7 | -27.3 | 0 | 0 | 0 | 111.4 | ||||
| 4 | A | 47 | Very low | 44.2 | Very low | 91 Ų | 91 | 154.8 Ų | 154.8 | 75% | 0.752 | 87% | 0.867 | S | S | * | * | trans | -109.4 | 163 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 5 | R | 42.4 | Very low | 44.5 | Very low | 223 Ų | 223 | 152.7 Ų | 152.7 | 84% | 0.842 | 86% | 0.859 | S | S | * | * | trans | 86.1 | 131.2 | 166 | -75.3 | 179.9 | 171.6 | -179 | -1.8 | 115.4 | ||||
| 6 | R | 47 | Very low | 44.2 | Very low | 226 Ų | 226 | 158 Ų | 158 | 85% | 0.853 | 86% | 0.864 | S | S | * | * | cis | -164.5 | -171.5 | 41.9 | -121.5 | 179.7 | -167.9 | -171.1 | 4.3 | 111.2 | ||||
| 7 | P | 49.8 | Very low | 44.2 | Very low | 120 Ų | 120 | 154.8 Ų | 154.8 | 78% | 0.779 | 86% | 0.864 | S | S | * | * | trans | -105.1 | 166.9 | -140 | 42.2 | -28.9 | 0 | 0 | 0 | 115.1 | ||||
| 8 | A | 40.5 | Very low | 44.1 | Very low | 104 Ų | 104 | 150 Ų | 150 | 86% | 0.86 | 86% | 0.855 | S | S | * | * | trans | -138.5 | 96.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 9 | G | 39.7 | Very low | 43.9 | Very low | 73 Ų | 73 | 151.5 Ų | 151.5 | 75% | 0.753 | 86% | 0.859 | S | S | * | * | trans | -80.1 | 161.7 | 154.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 10 | A | 48.6 | Very low | 43.8 | Very low | 102 Ų | 102 | 152.8 Ų | 152.8 | 84% | 0.843 | 86% | 0.862 | S | S | * | * | trans | 76.8 | 69.1 | 168.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 11 | R | 44.1 | Very low | 43.5 | Very low | 244 Ų | 244 | 150.3 Ų | 150.3 | 92% | 0.921 | 86% | 0.861 | S | S | * | * | trans | -156.2 | 84.5 | 147.7 | -75.2 | -158.6 | 174.8 | -178.9 | -2.7 | 111.8 | ||||
| 12 | L | 44.8 | Very low | 43.5 | Very low | 161 Ų | 161 | 143.5 Ų | 143.5 | 84% | 0.843 | 84% | 0.844 | S | S | * | * | trans | -166.7 | 49.1 | 150.1 | -134.6 | 77 | 0 | 0 | 0 | 113.5 | ||||
| 13 | L | 49.3 | Very low | 43.5 | Very low | 178 Ų | 178 | 143.6 Ų | 143.6 | 93% | 0.932 | 85% | 0.845 | S | S | * | * | trans | -118.5 | 44.4 | 169.2 | -82.5 | 175.9 | 0 | 0 | 0 | 111.8 | ||||
| 14 | L | 47.6 | Very low | 43 | Very low | 165 Ų | 165 | 142.3 Ų | 142.3 | 86% | 0.864 | 85% | 0.845 | S | S | * | * | trans | -143.2 | 50.8 | 179.4 | -96.9 | 164.5 | 0 | 0 | 0 | 112.1 | ||||
| 15 | V | 48 | Very low | 42.1 | Very low | 123 Ų | 123 | 141.4 Ų | 141.4 | 75% | 0.745 | 85% | 0.845 | S | S | * | * | S | Bend | trans | -125.8 | 5.8 | 172.4 | -175.3 | 0 | 0 | 0 | 0 | 112.9 | ||
| 16 | Y | 39.5 | Very low | 41.7 | Very low | 238 Ų | 238 | 139.7 Ų | 139.7 | 93% | 0.933 | 85% | 0.852 | S | S | * | * | S | Bend | trans | -114.2 | 23.2 | -174.1 | -106.2 | -81.2 | 0 | 0 | 0 | 117.1 | ||
| 17 | A | 44.6 | Very low | 40.7 | Very low | 104 Ų | 104 | 132.7 Ų | 132.7 | 86% | 0.86 | 85% | 0.85 | S | S | * | * | S | Bend | trans | -134.6 | 42.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 18 | G | 42.4 | Very low | 40 | Very low | 68 Ų | 68 | 132.5 Ų | 132.5 | 70% | 0.701 | 85% | 0.851 | S | S | * | * | S | Bend | trans | -144.6 | 26.9 | -172.6 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 19 | L | 40.5 | Very low | 40 | Very low | 179 Ų | 179 | 133.6 Ų | 133.6 | 94% | 0.937 | 85% | 0.85 | S | S | * | * | trans | -147.7 | 61.6 | 177 | -107.8 | 134 | 0 | 0 | 0 | 112.2 | ||||
| 20 | L | 41.1 | Very low | 39.7 | Very low | 176 Ų | 176 | 137.5 Ų | 137.5 | 92% | 0.921 | 85% | 0.848 | S | S | * | * | S | Bend | trans | -140.2 | 27.9 | 172.3 | -103.6 | 179 | 0 | 0 | 0 | 114.9 | ||
| 21 | A | 38.8 | Very low | 39.5 | Very low | 101 Ų | 101 | 138.7 Ų | 138.7 | 84% | 0.835 | 85% | 0.847 | S | S | * | * | trans | -154.5 | 84.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 22 | A | 36.8 | Very low | 38.7 | Very low | 107 Ų | 107 | 130.3 Ų | 130.3 | 88% | 0.884 | 84% | 0.836 | S | S | * | * | trans | -146.8 | 69.7 | 165.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 23 | A | 37.7 | Very low | 38 | Very low | 102 Ų | 102 | 127.1 Ų | 127.1 | 84% | 0.843 | 83% | 0.833 | S | S | * | * | trans | -161.7 | 80.6 | 163.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 24 | A | 33.1 | Very low | 37.9 | Very low | 103 Ų | 103 | 124.4 Ų | 124.4 | 85% | 0.851 | 83% | 0.826 | S | S | * | * | trans | -171.3 | 123.3 | 159.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 25 | G | 27.9 | Very low | 36.9 | Very low | 72 Ų | 72 | 121.5 Ų | 121.5 | 74% | 0.742 | 82% | 0.82 | S | S | * | * | trans | 78.4 | 145.4 | 156.5 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 26 | L | 32.9 | Very low | 36 | Very low | 188 Ų | 188 | 126.6 Ų | 126.6 | 98% | 0.984 | 83% | 0.826 | S | S | * | * | cis | -169.6 | 157.1 | 13.6 | -99.1 | 130 | 0 | 0 | 0 | 108.6 | ||||
| 27 | G | 27.2 | Very low | 35.5 | Very low | 79 Ų | 79 | 119.7 Ų | 119.7 | 81% | 0.814 | 81% | 0.812 | S | S | * | * | trans | 134.6 | 106.6 | 145.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 28 | S | 33.9 | Very low | 34.7 | Very low | 116 Ų | 116 | 125.3 Ų | 125.3 | 81% | 0.811 | 81% | 0.811 | S | S | * | * | trans | -87.5 | 161.7 | 162.5 | -162.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 29 | P | 40.9 | Very low | 34.1 | Very low | 127 Ų | 127 | 128 Ų | 128 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | -149 | 164.7 | 80.7 | 33 | -10.5 | 0 | 0 | 0 | 117.5 | |||||
| 30 | E | 33.8 | Very low | 33.4 | Very low | 155 Ų | 155 | 128.8 Ų | 128.8 | 72% | 0.724 | 81% | 0.805 | S | S | * | * | trans | -79.3 | 167.5 | 168.2 | -141.2 | -135.8 | 132.9 | 0 | 0 | 111.5 | G32 | E30-G32 PolarHBondContact OE1-N 3.39Š| ||
| 31 | P | 44.8 | Very low | 32.7 | Very low | 127 Ų | 127 | 127.3 Ų | 127.3 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | -152.4 | 160.6 | 66.7 | 37.1 | -14.1 | 0 | 0 | 0 | 119.5 | |||||
| 32 | G | 26.3 | Very low | 32.3 | Very low | 67 Ų | 67 | 129.6 Ų | 129.6 | 69% | 0.691 | 79% | 0.786 | S | S | * | * | trans | 145.9 | 100.7 | 144.7 | 0 | 0 | 0 | 0 | 0 | 119.6 | E30 | E30-G32 PolarHBondContact OE1-N 3.39Š| ||
| 33 | A | 31.3 | Very low | 32.2 | Very low | 94 Ų | 94 | 130.3 Ų | 130.3 | 78% | 0.777 | 78% | 0.782 | S | S | * | * | trans | -88.9 | -176.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 34 | P | 46.3 | Very low | 31.9 | Very low | 121 Ų | 121 | 129.8 Ų | 129.8 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | cis | -151 | -174.3 | 20.7 | 42.2 | -19 | 0 | 0 | 0 | 120 | ||||
| 35 | S | 28 | Very low | 32.9 | Very low | 104 Ų | 104 | 131 Ų | 131 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | trans | 92.6 | 130.2 | 152.2 | -160.9 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 36 | R | 27.4 | Very low | 32.7 | Very low | 231 Ų | 231 | 131 Ų | 131 | 87% | 0.872 | 77% | 0.772 | S | S | * | * | cis | -162.3 | 151.4 | 25.5 | -144.1 | 171.3 | -172.4 | -172.2 | 2 | 111 | ||||
| 37 | S | 28.8 | Very low | 32.7 | Very low | 93 Ų | 93 | 129.6 Ų | 129.6 | 65% | 0.65 | 77% | 0.765 | S | S | * | * | trans | -33.7 | 155.7 | 173.8 | 59.2 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 38 | R | 29.1 | Very low | 32.7 | Very low | 222 Ų | 222 | 135.2 Ų | 135.2 | 84% | 0.838 | 77% | 0.77 | S | S | * | * | -178.3 | 134.2 | 67.2 | -111.6 | -178.3 | -169.8 | 174.9 | 1 | 112.9 | |||||
| 39 | T | 28.8 | Very low | 32.7 | Very low | 123 Ų | 123 | 137.6 Ų | 137.6 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | trans | 53.2 | 142.9 | 137.7 | 31.8 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 40 | R | 27.3 | Very low | 32.6 | Very low | 196 Ų | 196 | 137.9 Ų | 137.9 | 74% | 0.74 | 78% | 0.775 | S | S | * | * | cis | -177.5 | 144.8 | 7.3 | 179.4 | 171.6 | 179.6 | -154.9 | -13.6 | 110.4 | ||||
| 41 | E | 25.9 | Very low | 32.2 | Very low | 146 Ų | 146 | 142.7 Ų | 142.7 | 68% | 0.682 | 79% | 0.786 | S | S | * | * | trans | 65.7 | 114.5 | 151.3 | -77.8 | 165.3 | 179.7 | 0 | 0 | 124.8 | ||||
| 42 | E | 30.7 | Very low | 31.3 | Very low | 148 Ų | 148 | 139 Ų | 139 | 69% | 0.692 | 77% | 0.772 | S | S | * | * | trans | -88.1 | 170.2 | 130.5 | -139.6 | -148.4 | 114.1 | 0 | 0 | 108 | S44 | E42-S44 PolarHBondContact OE1-N 3.43Å; E42-S44 PolarHBondContact OE1-OG 3.03Å | ||
| 43 | P | 34.7 | Very low | 31.9 | Very low | 122 Ų | 122 | 142.4 Ų | 142.4 | 79% | 0.792 | 78% | 0.781 | S | S | * | * | -150.1 | 172.4 | 55.6 | 35.5 | -10.4 | 0 | 0 | 0 | 119.2 | |||||
| 44 | S | 30.8 | Very low | 31.7 | Very low | 91 Ų | 91 | 141.5 Ų | 141.5 | 64% | 0.636 | 78% | 0.781 | S | S | * | * | trans | -67.8 | -159.7 | 173 | -56.6 | 0 | 0 | 0 | 0 | 115.6 | E42 | E42-S44 PolarHBondContact OE1-N 3.43Å; E42-S44 PolarHBondContact OE1-OG 3.03Å | ||
| 45 | P | 53.3 | Low | 30.8 | Very low | 130 Ų | 130 | 145.1 Ų | 145.1 | 84% | 0.844 | 79% | 0.788 | S | S | * | * | -124.4 | -178 | -67.5 | 35.1 | -16.6 | 0 | 0 | 0 | 113.6 | |||||
| 46 | G | 24.8 | Very low | 30.9 | Very low | 72 Ų | 72 | 145.7 Ų | 145.7 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | trans | -172.5 | 148.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 47 | N | 33.1 | Very low | 31.1 | Very low | 157 Ų | 157 | 146.9 Ų | 146.9 | 84% | 0.84 | 80% | 0.796 | S | S | * | * | trans | -92.8 | 164.3 | -163.1 | -41.9 | -40.7 | 0 | 0 | 0 | 113.5 | ||||
| 48 | E | 27.1 | Very low | 31.1 | Very low | 198 Ų | 198 | 147.4 Ų | 147.4 | 93% | 0.925 | 81% | 0.806 | S | S | * | * | trans | 161.9 | 145.3 | 131.3 | -87.8 | -175.7 | 163.2 | 0 | 0 | 114.6 | ||||
| 49 | L | 33.2 | Very low | 31.1 | Very low | 165 Ų | 165 | 140.3 Ų | 140.3 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | trans | -111.6 | 156 | 166.1 | -82.9 | 166.5 | 0 | 0 | 0 | 108.8 | ||||
| 50 | P | 38.4 | Very low | 31.7 | Very low | 133 Ų | 133 | 140.7 Ų | 140.7 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | -146.5 | -175.2 | 120.4 | 32.3 | -12.1 | 0 | 0 | 0 | 115.3 | |||||
| 51 | W | 25.9 | Very low | 31.9 | Very low | 256 Ų | 256 | 135.6 Ų | 135.6 | 97% | 0.97 | 81% | 0.807 | S | S | * | * | trans | -119.4 | 147.8 | -147 | -177 | -146.7 | 0 | 0 | 0 | 115.9 | ||||
| 52 | G | 25.7 | Very low | 32.2 | Very low | 51 Ų | 51 | 133.7 Ų | 133.7 | 53% | 0.526 | 82% | 0.816 | S | S | . | * | trans | 94.7 | 167.6 | 146.7 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 53 | P | 39.5 | Very low | 32.2 | Very low | 137 Ų | 137 | 137.9 Ų | 137.9 | 89% | 0.89 | 83% | 0.826 | S | S | * | * | cis | -143.6 | 173.5 | -23.4 | 40.8 | -22 | 0 | 0 | 0 | 116.8 | ||||
| 54 | G | 26.5 | Very low | 32.2 | Very low | 75 Ų | 75 | 139.5 Ų | 139.5 | 77% | 0.773 | 83% | 0.827 | S | S | * | * | trans | 93.4 | 139.2 | 158.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 55 | E | 28.6 | Very low | 32.5 | Very low | 198 Ų | 198 | 140.8 Ų | 140.8 | 93% | 0.925 | 83% | 0.833 | S | S | * | * | cis | -165.6 | 158.6 | 14.7 | -131.2 | 172.6 | 141.6 | 0 | 0 | 109.9 | ||||
| 56 | S | 28.7 | Very low | 31.5 | Very low | 116 Ų | 116 | 143 Ų | 143 | 81% | 0.811 | 83% | 0.832 | S | S | * | * | trans | -65.1 | 145.2 | -170.8 | -50.6 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 57 | R | 31.5 | Very low | 31.9 | Very low | 255 Ų | 255 | 145.4 Ų | 145.4 | 96% | 0.962 | 84% | 0.835 | S | S | * | * | trans | -158 | 132.2 | 134.6 | -122.7 | 174.7 | 178.9 | 175.7 | -0 | 113.5 | ||||
| 58 | A | 29.4 | Very low | 31.8 | Very low | 104 Ų | 104 | 143.6 Ų | 143.6 | 86% | 0.86 | 83% | 0.829 | S | S | * | * | trans | -89.2 | 145.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 59 | G | 29 | Very low | 32.2 | Very low | 74 Ų | 74 | 138.9 Ų | 138.9 | 76% | 0.763 | 83% | 0.825 | S | S | * | * | trans | 99.2 | 156.5 | 145.5 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 60 | P | 41.3 | Very low | 32.3 | Very low | 130 Ų | 130 | 139.1 Ų | 139.1 | 84% | 0.844 | 82% | 0.821 | S | S | * | * | cis | -127.3 | 164.4 | -20 | 36 | -18.8 | 0 | 0 | 0 | 114.4 | A62 | P60-A62 PolarHBondContact O-N 3.33Š| ||
| 61 | A | 32.4 | Very low | 32.3 | Very low | 90 Ų | 90 | 143.5 Ų | 143.5 | 74% | 0.744 | 82% | 0.821 | S | S | * | * | trans | -52.8 | 122 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | R63 | A61-R63 PolarHBondContact O-N 3.41Å; A61-R63 VanDerWaalsContact O-N 3.15Å | ||
| 62 | A | 32.5 | Very low | 33.1 | Very low | 106 Ų | 106 | 135.5 Ų | 135.5 | 88% | 0.876 | 81% | 0.809 | S | S | * | * | trans | -74.4 | 97.7 | 159.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | P60 L64 | P60-A62 PolarHBondContact O-N 3.33Å; A62-L64 PolarHBondContact O-N 3.16Å | ||
| 63 | R | 30.8 | Very low | 34.4 | Very low | 235 Ų | 235 | 141.3 Ų | 141.3 | 89% | 0.887 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 119 | 169.1 | -67.7 | -177.9 | 179 | -178.8 | -0.9 | 108.5 | A61 | A61-R63 PolarHBondContact O-N 3.41Å; A61-R63 VanDerWaalsContact O-N 3.15Å |
| 64 | L | 33.9 | Very low | 35.1 | Very low | 157 Ų | 157 | 140.5 Ų | 140.5 | 82% | 0.822 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 133.2 | 162.1 | -146.1 | 83.1 | 0 | 0 | 0 | 107.6 | A62 E66 | A62-L64 PolarHBondContact O-N 3.16Å; L64-E66 PolarHBondContact O-N 3.42Å |
| 65 | P | 37.4 | Very low | 37.2 | Very low | 118 Ų | 118 | 141.7 Ų | 141.7 | 77% | 0.766 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 119.8 | 172.6 | -14.4 | 28 | 0 | 0 | 0 | 108.7 | ||
| 66 | E | 31.3 | Very low | 39.6 | Very low | 175 Ų | 175 | 135.7 Ų | 135.7 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 138.6 | 166.1 | -69.9 | -166.2 | 146.4 | 0 | 0 | 109.1 | L64 T68 | L64-E66 PolarHBondContact O-N 3.42Å; E66-T68 PolarHBondContact O-N 3.12Å |
| 67 | P | 34.7 | Very low | 41.9 | Very low | 124 Ų | 124 | 135.1 Ų | 135.1 | 81% | 0.805 | 78% | 0.78 | S | S | * | * | trans | -63.9 | 110.5 | 169.1 | 27.5 | -30.1 | 0 | 0 | 0 | 106.6 | A69 | P67-A69 PolarHBondContact O-N 3.43Š| ||
| 68 | T | 30.2 | Very low | 44 | Very low | 118 Ų | 118 | 131.1 Ų | 131.1 | 72% | 0.724 | 77% | 0.765 | S | S | * | * | trans | -44.2 | 117.4 | 163.4 | 38 | 0 | 0 | 0 | 0 | 107.3 | E66 E70 | E66-T68 PolarHBondContact O-N 3.12Å; T68-E70 PolarHBondContact O-N 3.38Å | ||
| 69 | A | 36 | Very low | 46.3 | Very low | 100 Ų | 100 | 130.6 Ų | 130.6 | 83% | 0.826 | 75% | 0.747 | S | S | * | * | trans | -59.4 | 88.3 | 166.3 | 0 | 0 | 0 | 0 | 0 | 106.8 | P67 R71 | P67-A69 PolarHBondContact O-N 3.43Å; A69-R71 PolarHBondContact O-N 2.8Å | ||
| 70 | E | 34.8 | Very low | 48.7 | Very low | 170 Ų | 170 | 130.4 Ų | 130.4 | 79% | 0.794 | 73% | 0.731 | S | S | * | * | trans | -58.8 | 98 | 161.4 | -76.5 | -171.9 | 168.7 | 0 | 0 | 105 | T68 A72 | T68-E70 PolarHBondContact O-N 3.38Å; E70-A72 PolarHBondContact O-N 2.99Å | ||
| 71 | R | 39.3 | Very low | 50.3 | Low | 225 Ų | 225 | 131.7 Ų | 131.7 | 85% | 0.849 | 72% | 0.719 | S | S | * | * | trans | -42.2 | 107.3 | 169.8 | -164.6 | 177 | -158.1 | 173.5 | 4.5 | 106.1 | A69 H73 | A69-R71 PolarHBondContact O-N 2.8Å; R71-H73 PolarHBondContact O-N 3.3Å | ||
| 72 | A | 40.9 | Very low | 52.5 | Low | 88 Ų | 88 | 131 Ų | 131 | 73% | 0.727 | 70% | 0.702 | S | S | * | * | trans | -43.5 | 115.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 106.3 | E70 S74 | E70-A72 PolarHBondContact O-N 2.99Å; A72-S74 PolarHBondContact O-N 2.99Å | ||
| 73 | H | 54.4 | Low | 54.7 | Low | 172 Ų | 172 | 130.3 Ų | 130.3 | 80% | 0.796 | 68% | 0.683 | S | S | * | * | trans | -51.8 | 111 | 179.8 | -65.1 | -65.4 | 0 | 0 | 0 | 106.2 | R71 V75 | R71-H73 PolarHBondContact O-N 3.3Å; H73-V75 WeakPolarHBondContact O-CG2 3.17Å; H73-V75 PolarHBondContact O-N 3.21Å | ||
| 74 | S | 54.5 | Low | 56.9 | Low | 120 Ų | 120 | 124.6 Ų | 124.6 | 84% | 0.839 | 67% | 0.665 | S | S | * | * | trans | -66.6 | 96 | 175.2 | 64.7 | 0 | 0 | 0 | 0 | 105.2 | A72 D76 | A72-S74 PolarHBondContact O-N 2.99Å; S74-D76 PolarHBondContact O-N 2.81Å; S74-D76 VanDerWaalsContact O-N 3.12Å | ||
| 75 | V | 68.9 | Low | 58.9 | Low | 101 Ų | 101 | 120.3 Ų | 120.3 | 61% | 0.612 | 64% | 0.642 | S | S | * | * | trans | -66.4 | 115.9 | 178.5 | -170.8 | 0 | 0 | 0 | 0 | 105.8 | H73 P77 T80 | H73-V75 WeakPolarHBondContact O-CG2 3.17Å; H73-V75 PolarHBondContact O-N 3.21Å; V75-P77 WeakPolarHBondContact O-CD 3.44Å; V75-T80 WeakPolarHBondContact CG1-OG1 3.39Å | ||
| 76 | D | 80.4 | Confident | 60.7 | Low | 71 Ų | 71 | 122.5 Ų | 122.5 | 38% | 0.38 | 64% | 0.635 | S | S | . | * | trans | -59.3 | 124 | 175.8 | -179.2 | -7.3 | 0 | 0 | 0 | 108.1 | S74 R78 D79 T80 | S74-D76 PolarHBondContact O-N 2.81Å; S74-D76 VanDerWaalsContact O-N 3.12Å; D76-R78 PolarHBondContact O-N 2.78Å; D76-R78 VanDerWaalsContact O-N 3.11Å; D76-R78 VanDerWaalsContact OD1-CB 3.24Å; D76-R78 WeakPolarHBondContact OD1-CB 3.44Å; D76-R78 PolarHBondContact OD1-N 3.18Å; D76-D79 HydrophobicContact CB-CB 4.04Å; D76-D79 PolarHBondContact O-N 3.28Å; D76-T80 PolarHBondContact O-N 3.17Å; D76-T80 PolarHBondContact O-OG1 2.87Å | ||
| 77 | P | 76.6 | Confident | 62.4 | Low | 104 Ų | 104 | 120.4 Ų | 120.4 | 68% | 0.675 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -52.2 | -32.7 | 174.9 | -25.8 | 33.3 | 0 | 0 | 0 | 112.3 | V75 W81 | V75-P77 WeakPolarHBondContact O-CD 3.44Å; P77-W81 WeakPolarHBondContact O-CB 3.32Å; P77-W81 PolarHBondContact O-N 3.36Å |
| 78 | R | 75.6 | Confident | 63.8 | Low | 172 Ų | 172 | 117.6 Ų | 117.6 | 65% | 0.649 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -67.8 | -42.9 | 176.9 | -167.3 | 177.7 | -138.5 | -82.6 | -3.2 | 112.1 | D76 T80 W81 M82 | D76-R78 PolarHBondContact O-N 2.78Å; D76-R78 VanDerWaalsContact O-N 3.11Å; D76-R78 VanDerWaalsContact OD1-CB 3.24Å; D76-R78 WeakPolarHBondContact OD1-CB 3.44Å; D76-R78 PolarHBondContact OD1-N 3.18Å; R78-T80 VanDerWaalsContact C-N 3.34Å; R78-W81 PolarHBondContact O-N 2.94Å; R78-M82 WeakPolarHBondContact O-CB 3.33Å; R78-M82 WeakPolarHBondContact O-CG 3.23Å; R78-M82 PolarHBondContact O-N 2.88Å |
| 79 | D | 76.8 | Confident | 65.1 | Low | 93 Ų | 93 | 118.7 Ų | 118.7 | 50% | 0.497 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -67.4 | -39.1 | 177.9 | -73.1 | -23.4 | 0 | 0 | 0 | 111.2 | D76 W81 M82 L83 | D76-D79 HydrophobicContact CB-CB 4.04Å; D76-D79 PolarHBondContact O-N 3.28Å; D79-W81 VanDerWaalsContact C-N 3.34Å; D79-W81 PolarHBondContact O-N 3.02Å; D79-M82 PolarHBondContact O-N 3.09Å; D79-L83 WeakPolarHBondContact O-CB 3.43Å; D79-L83 VanDerWaalsContact O-CG 3.31Å; D79-L83 WeakPolarHBondContact O-CG 3.02Å; D79-L83 PolarHBondContact O-N 3.14Å |
| 80 | T | 79.7 | Confident | 66.2 | Low | 70 Ų | 70 | 121.6 Ų | 121.6 | 43% | 0.429 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -61.9 | -43.6 | 174.6 | -42.4 | 0 | 0 | 0 | 0 | 111.1 | V75 D76 R78 L83 F84 | V75-T80 WeakPolarHBondContact CG1-OG1 3.39Å; D76-T80 PolarHBondContact O-N 3.17Å; D76-T80 PolarHBondContact O-OG1 2.87Å; R78-T80 VanDerWaalsContact C-N 3.34Å; T80-L83 PolarHBondContact O-N 3.15Å; T80-F84 PolarHBondContact O-N 3.41Å |
| 81 | W | 74.4 | Confident | 67 | Low | 156 Ų | 156 | 115.8 Ų | 115.8 | 59% | 0.591 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -64.8 | -44.4 | 176.1 | -178.6 | -105.2 | 0 | 0 | 0 | 112.2 | P77 R78 D79 L83 F84 I85 | P77-W81 WeakPolarHBondContact O-CB 3.32Å; P77-W81 PolarHBondContact O-N 3.36Å; R78-W81 PolarHBondContact O-N 2.94Å; D79-W81 VanDerWaalsContact C-N 3.34Å; D79-W81 PolarHBondContact O-N 3.02Å; W81-L83 VanDerWaalsContact C-N 3.3Å; W81-L83 PolarHBondContact O-N 3.12Å; W81-F84 HydrophobicContact CE3-CD1 4.38Å; W81-F84 HydrophobicContact CZ3-CD1 4.18Å; W81-F84 HydrophobicContact CZ3-CE1 4.46Å; W81-F84 WeakPolarHBondContact O-CB 3.28Å; W81-F84 PolarHBondContact O-N 2.96Å; W81-I85 HydrophobicContact CZ2-CD1 3.93Å; W81-I85 HydrophobicContact CZ2-CG1 4.42Å; W81-I85 WeakPolarHBondContact O-CG1 3.46Å; W81-I85 PolarHBondContact O-N 3.41Å |
| 82 | M | 79.9 | Confident | 67.7 | Low | 75 Ų | 75 | 112.2 Ų | 112.2 | 37% | 0.369 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -64.3 | -34.5 | 177 | -70.9 | -68.9 | -72.8 | 0 | 0 | 112.1 | R78 D79 R86 | R78-M82 WeakPolarHBondContact O-CB 3.33Å; R78-M82 WeakPolarHBondContact O-CG 3.23Å; R78-M82 PolarHBondContact O-N 2.88Å; D79-M82 PolarHBondContact O-N 3.09Å; M82-R86 WeakPolarHBondContact O-CB 3.22Å; M82-R86 WeakPolarHBondContact O-CD 3.39Å; M82-R86 WeakPolarHBondContact O-CG 3.2Å; M82-R86 PolarHBondContact O-N 2.76Å; M82-R86 VanDerWaalsContact O-N 3.08Å |
| 83 | L | 79 | Confident | 68.4 | Low | 92 Ų | 92 | 115.2 Ų | 115.2 | 48% | 0.482 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -65.1 | -42.6 | 172.4 | -78.5 | 166.3 | 0 | 0 | 0 | 111.9 | D79 T80 W81 R86 Q87 | D79-L83 WeakPolarHBondContact O-CB 3.43Å; D79-L83 VanDerWaalsContact O-CG 3.31Å; D79-L83 WeakPolarHBondContact O-CG 3.02Å; D79-L83 PolarHBondContact O-N 3.14Å; T80-L83 PolarHBondContact O-N 3.15Å; W81-L83 VanDerWaalsContact C-N 3.3Å; W81-L83 PolarHBondContact O-N 3.12Å; L83-R86 PolarHBondContact O-N 2.88Å; L83-Q87 WeakPolarHBondContact O-CB 3.35Å; L83-Q87 VanDerWaalsContact O-CG 3.27Å; L83-Q87 WeakPolarHBondContact O-CG 3.45Å; L83-Q87 PolarHBondContact O-N 3Å |
| 84 | F | 75.3 | Confident | 68.1 | Low | 116 Ų | 116 | 109.6 Ų | 109.6 | 51% | 0.509 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -61.3 | -49.3 | 176.8 | 175.2 | -100.8 | 0 | 0 | 0 | 111.8 | T80 W81 R86 Q87 S88 | T80-F84 PolarHBondContact O-N 3.41Å; W81-F84 HydrophobicContact CE3-CD1 4.38Å; W81-F84 HydrophobicContact CZ3-CD1 4.18Å; W81-F84 HydrophobicContact CZ3-CE1 4.46Å; W81-F84 WeakPolarHBondContact O-CB 3.28Å; W81-F84 PolarHBondContact O-N 2.96Å; F84-R86 VanDerWaalsContact C-N 3.33Å; F84-R86 PolarHBondContact O-N 3.4Å; F84-Q87 CarbonylContact O-C 3.59Å; F84-Q87 PolarHBondContact O-N 3.19Å; F84-S88 PolarHBondContact O-N 2.94Å |
| 85 | I | 77.5 | Confident | 68.1 | Low | 67 Ų | 67 | 113.9 Ų | 113.9 | 34% | 0.344 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -60.8 | -41.5 | 177.4 | -62.2 | -63.2 | 0 | 0 | 0 | 111.5 | W81 Q87 S88 | W81-I85 HydrophobicContact CZ2-CD1 3.93Å; W81-I85 HydrophobicContact CZ2-CG1 4.42Å; W81-I85 WeakPolarHBondContact O-CG1 3.46Å; W81-I85 PolarHBondContact O-N 3.41Å; I85-Q87 PolarHBondContact O-N 2.94Å; I85-S88 PolarHBondContact O-N 3.15Å; I85-S88 PolarHBondContact O-OG 2.59Å |
| 86 | R | 74.9 | Confident | 67.2 | Low | 164 Ų | 164 | 117.5 Ų | 117.5 | 62% | 0.619 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -66.7 | -21.3 | 176.5 | -72.5 | 171.5 | -178.7 | -173.3 | 2.6 | 113.5 | M82 L83 F84 | M82-R86 WeakPolarHBondContact O-CB 3.22Å; M82-R86 WeakPolarHBondContact O-CD 3.39Å; M82-R86 WeakPolarHBondContact O-CG 3.2Å; M82-R86 PolarHBondContact O-N 2.76Å; M82-R86 VanDerWaalsContact O-N 3.08Å; L83-R86 PolarHBondContact O-N 2.88Å; F84-R86 VanDerWaalsContact C-N 3.33Å; F84-R86 PolarHBondContact O-N 3.4Å |
| 87 | Q | 67 | Low | 65.9 | Low | 131 Ų | 131 | 125.9 Ų | 125.9 | 61% | 0.612 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -93.8 | -29 | 178.4 | -74.2 | 176.7 | 3.3 | 0 | 0 | 112.4 | L83 F84 I85 D89 K90 | L83-Q87 WeakPolarHBondContact O-CB 3.35Å; L83-Q87 VanDerWaalsContact O-CG 3.27Å; L83-Q87 WeakPolarHBondContact O-CG 3.45Å; L83-Q87 PolarHBondContact O-N 3Å; F84-Q87 CarbonylContact O-C 3.59Å; F84-Q87 PolarHBondContact O-N 3.19Å; I85-Q87 PolarHBondContact O-N 2.94Å; Q87-D89 VanDerWaalsContact C-N 3.3Å; Q87-D89 PolarHBondContact O-N 3.39Å; Q87-K90 PolarHBondContact O-N 3.01Å; Q87-K90 VanDerWaalsContact O-N 3.09Å |
| 88 | S | 64.6 | Low | 64.7 | Low | 65 Ų | 65 | 126 Ų | 126 | 46% | 0.455 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -64.8 | -32.6 | 179.7 | 58.6 | 0 | 0 | 0 | 0 | 113.1 | F84 I85 K90 | F84-S88 PolarHBondContact O-N 2.94Å; I85-S88 PolarHBondContact O-N 3.15Å; I85-S88 PolarHBondContact O-OG 2.59Å; S88-K90 PolarHBondContact O-N 3.38Å |
| 89 | D | 57.4 | Low | 63.5 | Low | 140 Ų | 140 | 128.2 Ų | 128.2 | 75% | 0.749 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | -12.8 | 176.9 | -65.2 | -14.8 | 0 | 0 | 0 | 112.8 | Q87 G91 | Q87-D89 VanDerWaalsContact C-N 3.3Å; Q87-D89 PolarHBondContact O-N 3.39Å; D89-G91 VanDerWaalsContact C-N 3.3Å; D89-G91 PolarHBondContact O-N 3.44Å |
| 90 | K | 59.3 | Low | 61.7 | Low | 161 Ų | 161 | 127 Ų | 127 | 70% | 0.7 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -92.3 | 68 | 174.9 | -56.5 | -169.9 | -171.9 | -170.2 | 0 | 109.2 | Q87 S88 | Q87-K90 PolarHBondContact O-N 3.01Å; Q87-K90 VanDerWaalsContact O-N 3.09Å; S88-K90 PolarHBondContact O-N 3.38Å |
| 91 | G | 50.5 | Low | 60.3 | Low | 49 Ų | 49 | 134.4 Ų | 134.4 | 51% | 0.505 | 67% | 0.672 | S | S | . | * | trans | -51.3 | 160.5 | 168.4 | 0 | 0 | 0 | 0 | 0 | 112 | D89 N93 G94 | D89-G91 VanDerWaalsContact C-N 3.3Å; D89-G91 PolarHBondContact O-N 3.44Å; G91-N93 PolarHBondContact O-N 3.47Å; G91-G94 PolarHBondContact O-N 2.91Å | ||
| 92 | V | 54.6 | Low | 58.8 | Low | 149 Ų | 149 | 131.5 Ų | 131.5 | 90% | 0.903 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48.6 | -8.9 | -173.6 | 176.2 | 0 | 0 | 0 | 0 | 115.5 | ||
| 93 | N | 54.3 | Low | 57.5 | Low | 151 Ų | 151 | 138.1 Ų | 138.1 | 81% | 0.807 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.4 | 12 | -178.2 | -58.4 | -15.7 | 0 | 0 | 0 | 114.6 | G91 K95 | G91-N93 PolarHBondContact O-N 3.47Å; N93-K95 PolarHBondContact O-N 3.31Å |
| 94 | G | 49.2 | Very low | 56 | Low | 55 Ų | 55 | 143.5 Ų | 143.5 | 57% | 0.567 | 73% | 0.727 | S | S | * | * | trans | -60.2 | 103.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | G91 K96 | G91-G94 PolarHBondContact O-N 2.91Å; G94-K96 VanDerWaalsContact C-N 3.34Å; G94-K96 PolarHBondContact O-N 2.9Å | ||
| 95 | K | 53.6 | Low | 54.4 | Low | 210 Ų | 210 | 145.9 Ų | 145.9 | 91% | 0.913 | 74% | 0.744 | S | S | * | * | trans | -48.4 | 93 | 178.8 | -88.2 | 176.5 | 174.4 | 169.9 | 0 | 110.8 | N93 R97 | N93-K95 PolarHBondContact O-N 3.31Å; K95-R97 PolarHBondContact O-N 2.94Å | ||
| 96 | K | 49.9 | Very low | 53.1 | Low | 177 Ų | 177 | 152.2 Ų | 152.2 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | trans | -74.2 | 93.1 | 173.1 | -165.3 | -180 | -172.6 | -179.2 | 0 | 107.6 | G94 T98 | G94-K96 VanDerWaalsContact C-N 3.34Å; G94-K96 PolarHBondContact O-N 2.9Å; K96-T98 HydrophobicContact CD-CG2 4.2Å; K96-T98 HydrophobicContact CG-CG2 3.9Å; K96-T98 PolarHBondContact O-N 3.46Å | ||
| 97 | R | 54.1 | Low | 51.5 | Low | 247 Ų | 247 | 154.1 Ų | 154.1 | 93% | 0.932 | 78% | 0.782 | S | S | * | * | trans | -73.5 | 77.6 | 172.5 | -161.9 | -178.7 | -172.4 | -178.4 | 2.4 | 108.8 | K95 | K95-R97 PolarHBondContact O-N 2.94Š| ||
| 98 | T | 50.8 | Low | 50.3 | Low | 106 Ų | 106 | 151.2 Ų | 151.2 | 65% | 0.65 | 79% | 0.788 | S | S | * | * | trans | -97.9 | 101.7 | 170.6 | 39.9 | 0 | 0 | 0 | 0 | 110.4 | K96 | K96-T98 HydrophobicContact CD-CG2 4.2Å; K96-T98 HydrophobicContact CG-CG2 3.9Å; K96-T98 PolarHBondContact O-N 3.46Å | ||
| 99 | K | 50.5 | Low | 49.8 | Very low | 219 Ų | 219 | 156.4 Ų | 156.4 | 95% | 0.952 | 81% | 0.81 | S | S | * | * | trans | -77.3 | 110.2 | 162.5 | -163.2 | -179.3 | -172.6 | -177.8 | 0 | 106.7 | ||||
| 100 | G | 40.1 | Very low | 49.5 | Very low | 68 Ų | 68 | 155.6 Ų | 155.6 | 70% | 0.701 | 81% | 0.812 | S | S | * | * | trans | 176.7 | 105.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | A102 | G100-A102 PolarHBondContact O-N 3.22Š| ||
| 101 | K | 50.1 | Low | 49.2 | Very low | 225 Ų | 225 | 150.7 Ų | 150.7 | 98% | 0.978 | 81% | 0.807 | S | S | * | * | trans | -65.2 | 115.1 | 178.8 | -69.4 | -175.3 | 175.6 | -179.1 | 0 | 110.1 | ||||
| 102 | A | 43.3 | Very low | 49.6 | Very low | 94 Ų | 94 | 154.1 Ų | 154.1 | 78% | 0.777 | 82% | 0.82 | S | S | * | * | trans | -114.3 | 125.5 | 163.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | G100 K104 | G100-A102 PolarHBondContact O-N 3.22Å; A102-K104 PolarHBondContact O-N 2.86Å | ||
| 103 | K | 52.3 | Low | 49.8 | Very low | 215 Ų | 215 | 153 Ų | 153 | 94% | 0.935 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 118.4 | -178.6 | -76 | 170.6 | 170.9 | 175.8 | 0 | 110.4 | L105 | K103-L105 PolarHBondContact O-N 3.12Š|
| 104 | K | 45.8 | Very low | 49.6 | Very low | 204 Ų | 204 | 148.8 Ų | 148.8 | 89% | 0.887 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 117.4 | 171.5 | -94.9 | -177.1 | 171.3 | -177.3 | 0 | 110.1 | A102 | A102-K104 PolarHBondContact O-N 2.86Š|
| 105 | L | 42.8 | Very low | 50.1 | Low | 166 Ų | 166 | 151.8 Ų | 151.8 | 87% | 0.869 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 131.5 | 159.6 | -80.2 | 153 | 0 | 0 | 0 | 108.6 | K103 F107 | K103-L105 PolarHBondContact O-N 3.12Å; L105-F107 PolarHBondContact O-N 3.11Å |
| 106 | K | 51.2 | Low | 50.7 | Low | 201 Ų | 201 | 148 Ų | 148 | 87% | 0.874 | 81% | 0.814 | S | S | * | * | trans | -85.3 | 105.5 | -174.6 | -65.2 | 179.9 | 179.9 | -179.6 | 0 | 110 | ||||
| 107 | F | 41.2 | Very low | 50.8 | Low | 203 Ų | 203 | 142.4 Ų | 142.4 | 89% | 0.89 | 81% | 0.807 | S | S | * | * | trans | -138.1 | 130.8 | 156.4 | -83.9 | -78.1 | 0 | 0 | 0 | 108.9 | L105 | L105-F107 PolarHBondContact O-N 3.11Š| ||
| 108 | G | 41.2 | Very low | 51 | Low | 71 Ų | 71 | 136.9 Ų | 136.9 | 73% | 0.732 | 80% | 0.803 | S | S | * | * | S | Bend | trans | 79.9 | 130.2 | 165.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 109 | L | 54.4 | Low | 51.5 | Low | 174 Ų | 174 | 140.9 Ų | 140.9 | 91% | 0.911 | 82% | 0.815 | S | S | * | * | trans | -50.1 | 127.9 | 165 | -66.8 | 161.8 | 0 | 0 | 0 | 109.1 | G111 | L109-G111 PolarHBondContact O-N 2.95Å; L109-G111 VanDerWaalsContact O-N 3.09Å | ||
| 110 | P | 50 | Low | 51.6 | Low | 123 Ų | 123 | 133 Ų | 133 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | trans | -68.9 | 111.3 | 174.8 | 18.9 | -16.3 | 0 | 0 | 0 | 108 | ||||
| 111 | G | 52.5 | Low | 52.7 | Low | 57 Ų | 57 | 135.5 Ų | 135.5 | 59% | 0.588 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 150.3 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | L109 | L109-G111 PolarHBondContact O-N 2.95Å; L109-G111 VanDerWaalsContact O-N 3.09Å |
| 112 | P | 60.2 | Low | 53 | Low | 121 Ų | 121 | 130.8 Ų | 130.8 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 140 | 178.4 | 23.5 | -32.5 | 0 | 0 | 0 | 109.8 | G114 | P112-G114 PolarHBondContact O-N 2.99Å; P112-G114 VanDerWaalsContact O-N 3.13Å |
| 113 | P | 59 | Low | 53.7 | Low | 127 Ų | 127 | 128.8 Ų | 128.8 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 123.4 | 171.8 | -22 | 31.2 | 0 | 0 | 0 | 108.9 | ||
| 114 | G | 49.2 | Very low | 54.2 | Low | 61 Ų | 61 | 123.9 Ų | 123.9 | 63% | 0.629 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 145 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | P112 | P112-G114 PolarHBondContact O-N 2.99Å; P112-G114 VanDerWaalsContact O-N 3.13Å |
| 115 | P | 59.3 | Low | 54.8 | Low | 119 Ų | 119 | 122.1 Ų | 122.1 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -56 | 141.1 | 178.3 | 23.6 | -32.6 | 0 | 0 | 0 | 109.7 | G117 | P115-G117 PolarHBondContact O-N 3.26Š|
| 116 | P | 66.2 | Low | 55.8 | Low | 129 Ų | 129 | 118.6 Ų | 118.6 | 84% | 0.838 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 125.9 | 170.9 | -23.9 | 32.9 | 0 | 0 | 0 | 109.2 | ||
| 117 | G | 52.7 | Low | 57.1 | Low | 60 Ų | 60 | 112.3 Ų | 112.3 | 62% | 0.619 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -55 | 147.7 | 175 | 0 | 0 | 0 | 0 | 0 | 110.3 | P115 Q119 | P115-G117 PolarHBondContact O-N 3.26Å; G117-Q119 PolarHBondContact O-N 2.93Å |
| 118 | P | 59 | Low | 58.7 | Low | 132 Ų | 132 | 106.7 Ų | 106.7 | 86% | 0.857 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 131.7 | 178.5 | 23.2 | -32.7 | 0 | 0 | 0 | 109.5 | G120 | P118-G120 PolarHBondContact O-N 2.91Å; P118-G120 VanDerWaalsContact O-N 3.15Å |
| 119 | Q | 60.3 | Low | 60.5 | Low | 190 Ų | 190 | 109 Ų | 109 | 89% | 0.888 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -60 | 120.4 | 177.7 | -170.4 | 159.3 | 0.7 | 0 | 0 | 108.2 | G117 | G117-Q119 PolarHBondContact O-N 2.93Š|
| 120 | G | 53.2 | Low | 61.8 | Low | 53 Ų | 53 | 102.3 Ų | 102.3 | 55% | 0.546 | 68% | 0.675 | S | S | . | * | P | Polyproline II helix | trans | -55.4 | 149.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | P118 | P118-G120 PolarHBondContact O-N 2.91Å; P118-G120 VanDerWaalsContact O-N 3.15Å |
| 121 | P | 63.4 | Low | 63.2 | Low | 121 Ų | 121 | 101.3 Ų | 101.3 | 79% | 0.786 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 143.5 | -179.8 | 23 | -33 | 0 | 0 | 0 | 110.1 | G123 | P121-G123 PolarHBondContact O-N 2.79Š|
| 122 | P | 56.6 | Low | 64.7 | Low | 126 Ų | 126 | 103 Ų | 103 | 82% | 0.818 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 118.4 | 174.9 | -22.7 | 31.8 | 0 | 0 | 0 | 109.3 | ||
| 123 | G | 57.1 | Low | 65.9 | Low | 51 Ų | 51 | 104.3 Ų | 104.3 | 53% | 0.526 | 65% | 0.651 | S | S | . | * | P | Polyproline II helix | trans | -58.5 | 144.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | P121 I125 | P121-G123 PolarHBondContact O-N 2.79Å; G123-I125 PolarHBondContact O-N 2.84Å; G123-I125 VanDerWaalsContact O-N 3.09Å |
| 124 | P | 63.8 | Low | 67.1 | Low | 113 Ų | 113 | 104.2 Ų | 104.2 | 73% | 0.734 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 120.3 | 179 | 22.5 | -31 | 0 | 0 | 0 | 109.3 | I126 | P124-I126 HydrophobicContact CB-CD1 4.46Å; P124-I126 HydrophobicContact CB-CG1 4.14Å; P124-I126 HydrophobicContact CG-CD1 4.46Å; P124-I126 PolarHBondContact O-N 2.72Å |
| 125 | I | 57.2 | Low | 68.7 | Low | 167 Ų | 167 | 106.6 Ų | 106.6 | 86% | 0.856 | 63% | 0.632 | S | S | * | * | trans | -77.6 | 81.1 | 176.3 | -53.7 | 168 | 0 | 0 | 0 | 106.3 | G123 P127 | G123-I125 PolarHBondContact O-N 2.84Å; G123-I125 VanDerWaalsContact O-N 3.09Å; I125-P127 WeakPolarHBondContact O-CD 3.24Å | ||
| 126 | I | 64.3 | Low | 70.1 | Confident | 92 Ų | 92 | 106.8 Ų | 106.8 | 47% | 0.472 | 62% | 0.623 | S | S | . | * | trans | -82.4 | 118.6 | 175.2 | -58.1 | 171.8 | 0 | 0 | 0 | 106.7 | P124 A130 | P124-I126 HydrophobicContact CB-CD1 4.46Å; P124-I126 HydrophobicContact CB-CG1 4.14Å; P124-I126 HydrophobicContact CG-CD1 4.46Å; P124-I126 PolarHBondContact O-N 2.72Å; I126-A130 HydrophobicContact CG2-CB 3.92Å | ||
| 127 | P | 79.1 | Confident | 71.2 | Confident | 68 Ų | 68 | 107 Ų | 107 | 44% | 0.442 | 62% | 0.617 | S | S | . | * | trans | -59.6 | 137.1 | 176.8 | 21.2 | -28.6 | 0 | 0 | 0 | 109.5 | I125 E129 A130 L131 | I125-P127 WeakPolarHBondContact O-CD 3.24Å; P127-E129 VanDerWaalsContact CB-OE2 3.31Å; P127-E129 WeakPolarHBondContact CB-OE2 3.22Å; P127-E129 PolarHBondContact O-N 3Å; P127-A130 HydrophobicContact CG-CB 3.96Å; P127-A130 WeakPolarHBondContact O-CB 3.37Å; P127-A130 PolarHBondContact O-N 3.19Å; P127-L131 PolarHBondContact O-N 2.81Å | ||
| 128 | P | 74.2 | Confident | 72.8 | Confident | 86 Ų | 86 | 110.1 Ų | 110.1 | 56% | 0.558 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -52 | -29.3 | -179.3 | -26.3 | 33.9 | 0 | 0 | 0 | 113.3 | L131 L132 | P128-L131 PolarHBondContact O-N 2.87Å; P128-L132 WeakPolarHBondContact O-CB 3.43Å; P128-L132 VanDerWaalsContact O-CG 3.29Å; P128-L132 WeakPolarHBondContact O-CG 3.47Å; P128-L132 PolarHBondContact O-N 2.95Å |
| 129 | E | 79.9 | Confident | 74.2 | Confident | 118 Ų | 118 | 108 Ų | 108 | 55% | 0.551 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -66.9 | -34.2 | 178 | -58.2 | 72.9 | -156 | 0 | 0 | 112.4 | P127 K133 | P127-E129 VanDerWaalsContact CB-OE2 3.31Å; P127-E129 WeakPolarHBondContact CB-OE2 3.22Å; P127-E129 PolarHBondContact O-N 3Å; E129-K133 WeakPolarHBondContact O-CB 3.4Å; E129-K133 VanDerWaalsContact O-CG 3.22Å; E129-K133 WeakPolarHBondContact O-CG 3.46Å; E129-K133 PolarHBondContact O-N 3.31Å; E129-K133 VanDerWaalsContact O-N 3.08Å |
| 130 | A | 80.3 | Confident | 75.5 | Confident | 34 Ų | 34 | 105.1 Ų | 105.1 | 28% | 0.281 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -70.7 | -43 | 175 | 0 | 0 | 0 | 0 | 0 | 110.8 | I126 P127 K133 E134 | I126-A130 HydrophobicContact CG2-CB 3.92Å; P127-A130 HydrophobicContact CG-CB 3.96Å; P127-A130 WeakPolarHBondContact O-CB 3.37Å; P127-A130 PolarHBondContact O-N 3.19Å; A130-K133 PolarHBondContact O-N 2.78Å; A130-E134 WeakPolarHBondContact O-CG 3.45Å; A130-E134 PolarHBondContact O-N 2.98Å |
| 131 | L | 80.3 | Confident | 76.9 | Confident | 102 Ų | 102 | 104.5 Ų | 104.5 | 53% | 0.534 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -65 | -42.5 | 177.9 | -166.3 | 153.7 | 0 | 0 | 0 | 111.6 | P127 P128 K133 E134 F135 | P127-L131 PolarHBondContact O-N 2.81Å; P128-L131 PolarHBondContact O-N 2.87Å; L131-K133 VanDerWaalsContact C-N 3.34Å; L131-K133 PolarHBondContact O-N 3.23Å; L131-E134 PolarHBondContact O-N 3.45Å; L131-F135 WeakPolarHBondContact O-CB 2.83Å; L131-F135 PolarHBondContact O-N 3.03Å |
| 132 | L | 83.5 | Confident | 77.4 | Confident | 94 Ų | 94 | 100.9 Ų | 100.9 | 49% | 0.492 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -65.2 | -37.3 | 175.8 | -74.3 | 170.8 | 0 | 0 | 0 | 112.2 | P128 F135 Q136 | P128-L132 WeakPolarHBondContact O-CB 3.43Å; P128-L132 VanDerWaalsContact O-CG 3.29Å; P128-L132 WeakPolarHBondContact O-CG 3.47Å; P128-L132 PolarHBondContact O-N 2.95Å; L132-F135 PolarHBondContact O-N 3.36Å; L132-Q136 WeakPolarHBondContact O-CB 3.26Å; L132-Q136 WeakPolarHBondContact O-CG 2.76Å; L132-Q136 PolarHBondContact O-N 3.48Å |
| 133 | K | 84.6 | Confident | 78.5 | Confident | 148 Ų | 148 | 98.5 Ų | 98.5 | 64% | 0.643 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65.4 | -44.1 | 175 | -80.7 | 175.9 | -179.2 | -179.8 | 0 | 111.8 | E129 A130 L131 F135 Q136 L137 | E129-K133 WeakPolarHBondContact O-CB 3.4Å; E129-K133 VanDerWaalsContact O-CG 3.22Å; E129-K133 WeakPolarHBondContact O-CG 3.46Å; E129-K133 PolarHBondContact O-N 3.31Å; E129-K133 VanDerWaalsContact O-N 3.08Å; A130-K133 PolarHBondContact O-N 2.78Å; L131-K133 VanDerWaalsContact C-N 3.34Å; L131-K133 PolarHBondContact O-N 3.23Å; K133-F135 VanDerWaalsContact C-N 3.35Å; K133-Q136 PolarHBondContact O-N 2.69Å; K133-L137 WeakPolarHBondContact O-CB 3.35Å; K133-L137 PolarHBondContact O-N 2.99Å |
| 134 | E | 84.2 | Confident | 79.3 | Confident | 125 Ų | 125 | 102.9 Ų | 102.9 | 58% | 0.584 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.5 | -43.8 | 175.5 | -74.1 | 178.8 | -170.7 | 0 | 0 | 111.5 | A130 L131 L137 L138 | A130-E134 WeakPolarHBondContact O-CG 3.45Å; A130-E134 PolarHBondContact O-N 2.98Å; L131-E134 PolarHBondContact O-N 3.45Å; E134-L137 PolarHBondContact O-N 2.88Å; E134-L138 PolarHBondContact O-N 2.99Å |
| 135 | F | 84.2 | Confident | 79.4 | Confident | 110 Ų | 110 | 104 Ų | 104 | 48% | 0.482 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.9 | -43.5 | 176.9 | -179.2 | -111.2 | 0 | 0 | 0 | 112.4 | L131 L132 K133 L137 L138 L139 | L131-F135 WeakPolarHBondContact O-CB 2.83Å; L131-F135 PolarHBondContact O-N 3.03Å; L132-F135 PolarHBondContact O-N 3.36Å; K133-F135 VanDerWaalsContact C-N 3.35Å; F135-L137 VanDerWaalsContact C-N 3.27Å; F135-L137 PolarHBondContact O-N 3.08Å; F135-L138 WeakPolarHBondContact O-CB 3.33Å; F135-L138 PolarHBondContact O-N 3.38Å; F135-L139 HydrophobicContact CD1-CD1 3.88Å; F135-L139 HydrophobicContact CD1-CG 4.44Å; F135-L139 HydrophobicContact CE1-CD1 3.32Å; F135-L139 HydrophobicContact CE1-CG 4.04Å; F135-L139 HydrophobicContact CE2-CD1 4.35Å; F135-L139 HydrophobicContact CE2-CD2 4.38Å; F135-L139 HydrophobicContact CE2-CG 4.19Å; F135-L139 HydrophobicContact CZ-CD1 3.59Å; F135-L139 HydrophobicContact CZ-CD2 4.09Å; F135-L139 HydrophobicContact CZ-CG 3.9Å; F135-L139 WeakPolarHBondContact O-CG 3.31Å; F135-L139 PolarHBondContact O-N 2.89Å |
| 136 | Q | 88.1 | Confident | 79.8 | Confident | 124 Ų | 124 | 105 Ų | 105 | 58% | 0.579 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61.4 | -37.5 | 174.5 | -76.4 | 173 | 2.3 | 0 | 0 | 112 | L132 K133 L139 K140 | L132-Q136 WeakPolarHBondContact O-CB 3.26Å; L132-Q136 WeakPolarHBondContact O-CG 2.76Å; L132-Q136 PolarHBondContact O-N 3.48Å; K133-Q136 PolarHBondContact O-N 2.69Å; Q136-L139 PolarHBondContact O-N 3.49Å; Q136-K140 VanDerWaalsContact O-CB 3.32Å; Q136-K140 WeakPolarHBondContact O-CB 3.22Å; Q136-K140 PolarHBondContact O-N 3.27Å |
| 137 | L | 89.9 | Confident | 79.9 | Confident | 134 Ų | 134 | 105.6 Ų | 105.6 | 70% | 0.702 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -70 | -39.8 | 179 | -150.9 | 145.6 | 0 | 0 | 0 | 111.3 | K133 E134 F135 K140 G141 | K133-L137 WeakPolarHBondContact O-CB 3.35Å; K133-L137 PolarHBondContact O-N 2.99Å; E134-L137 PolarHBondContact O-N 2.88Å; F135-L137 VanDerWaalsContact C-N 3.27Å; F135-L137 PolarHBondContact O-N 3.08Å; L137-K140 PolarHBondContact O-N 3.46Å; L137-G141 PolarHBondContact O-N 2.97Å |
| 138 | L | 86.1 | Confident | 79 | Confident | 125 Ų | 125 | 111.4 Ų | 111.4 | 65% | 0.654 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -60.5 | -48 | 171.3 | -84.1 | 156.7 | 0 | 0 | 0 | 112 | E134 F135 K140 G141 A142 | E134-L138 PolarHBondContact O-N 2.99Å; F135-L138 WeakPolarHBondContact O-CB 3.33Å; F135-L138 PolarHBondContact O-N 3.38Å; L138-K140 VanDerWaalsContact C-N 3.33Å; L138-K140 PolarHBondContact O-N 2.91Å; L138-G141 PolarHBondContact O-N 2.88Å; L138-A142 PolarHBondContact O-N 3.4Å |
| 139 | L | 87.1 | Confident | 78.1 | Confident | 86 Ų | 86 | 112.9 Ų | 112.9 | 45% | 0.45 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61.4 | -41.9 | 176.9 | -74.2 | 178.4 | 0 | 0 | 0 | 111.8 | F135 Q136 G141 A142 V143 | F135-L139 HydrophobicContact CD1-CD1 3.88Å; F135-L139 HydrophobicContact CD1-CG 4.44Å; F135-L139 HydrophobicContact CE1-CD1 3.32Å; F135-L139 HydrophobicContact CE1-CG 4.04Å; F135-L139 HydrophobicContact CE2-CD1 4.35Å; F135-L139 HydrophobicContact CE2-CD2 4.38Å; F135-L139 HydrophobicContact CE2-CG 4.19Å; F135-L139 HydrophobicContact CZ-CD1 3.59Å; F135-L139 HydrophobicContact CZ-CD2 4.09Å; F135-L139 HydrophobicContact CZ-CG 3.9Å; F135-L139 WeakPolarHBondContact O-CG 3.31Å; F135-L139 PolarHBondContact O-N 2.89Å; Q136-L139 PolarHBondContact O-N 3.49Å; L139-G141 VanDerWaalsContact C-N 3.32Å; L139-G141 PolarHBondContact O-N 3.38Å; L139-A142 PolarHBondContact O-N 3.35Å; L139-V143 WeakPolarHBondContact O-CG2 3.29Å; L139-V143 PolarHBondContact O-N 3.49Å |
| 140 | K | 87.8 | Confident | 76.7 | Confident | 131 Ų | 131 | 114.9 Ų | 114.9 | 57% | 0.57 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -65.7 | -35.3 | 177.4 | -163.5 | 172.9 | -174.9 | 175.2 | 0 | 112.2 | Q136 L137 L138 R144 | Q136-K140 VanDerWaalsContact O-CB 3.32Å; Q136-K140 WeakPolarHBondContact O-CB 3.22Å; Q136-K140 PolarHBondContact O-N 3.27Å; L137-K140 PolarHBondContact O-N 3.46Å; L138-K140 VanDerWaalsContact C-N 3.33Å; L138-K140 PolarHBondContact O-N 2.91Å; K140-R144 WeakPolarHBondContact O-CB 3.38Å; K140-R144 VanDerWaalsContact O-CG 3.28Å; K140-R144 WeakPolarHBondContact O-CG 3.39Å; K140-R144 PolarHBondContact O-N 3.38Å |
| 141 | G | 82.5 | Confident | 75.1 | Confident | 39 Ų | 39 | 121.1 Ų | 121.1 | 40% | 0.402 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -65.1 | -45 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L137 L138 L139 R144 Q145 | L137-G141 PolarHBondContact O-N 2.97Å; L138-G141 PolarHBondContact O-N 2.88Å; L139-G141 VanDerWaalsContact C-N 3.32Å; L139-G141 PolarHBondContact O-N 3.38Å; G141-R144 PolarHBondContact O-N 3.18Å; G141-Q145 PolarHBondContact O-N 2.89Å |
| 142 | A | 75.6 | Confident | 73.3 | Confident | 46 Ų | 46 | 123.1 Ų | 123.1 | 38% | 0.38 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -65.8 | -39.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113 | L138 L139 Q145 R146 | L138-A142 PolarHBondContact O-N 3.4Å; L139-A142 PolarHBondContact O-N 3.35Å; A142-Q145 PolarHBondContact O-N 2.86Å; A142-R146 PolarHBondContact O-N 2.88Å; A142-R146 VanDerWaalsContact O-N 3.14Å |
| 143 | V | 79.3 | Confident | 71.6 | Confident | 75 Ų | 75 | 123.7 Ų | 123.7 | 46% | 0.455 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -65.3 | -45.6 | 175.8 | 172.3 | 0 | 0 | 0 | 0 | 110.8 | L139 Q145 R146 E147 | L139-V143 WeakPolarHBondContact O-CG2 3.29Å; L139-V143 PolarHBondContact O-N 3.49Å; V143-Q145 PolarHBondContact O-N 2.86Å; V143-R146 PolarHBondContact O-N 3.34Å; V143-R146 VanDerWaalsContact O-N 3.09Å; V143-E147 HydrophobicContact CG1-CG 4.34Å; V143-E147 WeakPolarHBondContact O-CG 3.31Å; V143-E147 PolarHBondContact O-N 3Å |
| 144 | R | 73.3 | Confident | 69.3 | Low | 143 Ų | 143 | 121.4 Ų | 121.4 | 54% | 0.54 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -61.8 | -31.7 | 175.9 | -75.5 | 178.1 | 174.1 | -137.7 | -7.2 | 113.3 | K140 G141 R148 | K140-R144 WeakPolarHBondContact O-CB 3.38Å; K140-R144 VanDerWaalsContact O-CG 3.28Å; K140-R144 WeakPolarHBondContact O-CG 3.39Å; K140-R144 PolarHBondContact O-N 3.38Å; G141-R144 PolarHBondContact O-N 3.18Å; R144-R148 WeakPolarHBondContact O-CB 3.34Å; R144-R148 VanDerWaalsContact O-CG 3.23Å; R144-R148 WeakPolarHBondContact O-CG 3.47Å; R144-R148 PolarHBondContact O-N 2.97Å |
| 145 | Q | 66 | Low | 67.1 | Low | 137 Ų | 137 | 122 Ų | 122 | 64% | 0.64 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -70.5 | -38 | 175.6 | -169.1 | 169.8 | 4.6 | 0 | 0 | 111.4 | G141 A142 V143 V149 | G141-Q145 PolarHBondContact O-N 2.89Å; A142-Q145 PolarHBondContact O-N 2.86Å; V143-Q145 PolarHBondContact O-N 2.86Å; Q145-V149 WeakPolarHBondContact O-CG2 3.22Å; Q145-V149 PolarHBondContact O-N 3.49Å; Q145-V149 VanDerWaalsContact O-N 3.12Å |
| 146 | R | 65.4 | Low | 64.8 | Low | 189 Ų | 189 | 122.7 Ų | 122.7 | 71% | 0.713 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -68 | -43.9 | 173.3 | -68.7 | -177 | 176.1 | -166.9 | -1.5 | 111.9 | A142 V143 R148 V149 E150 | A142-R146 PolarHBondContact O-N 2.88Å; A142-R146 VanDerWaalsContact O-N 3.14Å; V143-R146 PolarHBondContact O-N 3.34Å; V143-R146 VanDerWaalsContact O-N 3.09Å; R146-R148 VanDerWaalsContact C-N 3.34Å; R146-R148 PolarHBondContact O-N 2.82Å; R146-V149 PolarHBondContact O-N 2.89Å; R146-V149 VanDerWaalsContact O-N 3.15Å; R146-E150 WeakPolarHBondContact O-CG 3.44Å; R146-E150 PolarHBondContact O-N 3.05Å |
| 147 | E | 67.6 | Low | 62.2 | Low | 103 Ų | 103 | 119.9 Ų | 119.9 | 48% | 0.481 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -61.8 | -38.6 | 175.5 | -71.7 | 172.2 | 170.9 | 0 | 0 | 112.3 | V143 V149 E150 H151 | V143-E147 HydrophobicContact CG1-CG 4.34Å; V143-E147 WeakPolarHBondContact O-CG 3.31Å; V143-E147 PolarHBondContact O-N 3Å; E147-V149 VanDerWaalsContact C-N 3.35Å; E147-E150 PolarHBondContact O-N 2.83Å; E147-H151 WeakPolarHBondContact O-CB 3.43Å; E147-H151 PolarHBondContact O-N 3.05Å |
| 148 | R | 58.3 | Low | 59.9 | Low | 191 Ų | 191 | 120 Ų | 120 | 72% | 0.721 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -67 | -34.1 | 174.4 | -78.3 | 175.6 | -177.7 | -96.6 | 0.6 | 113.1 | R144 R146 E150 | R144-R148 WeakPolarHBondContact O-CB 3.34Å; R144-R148 VanDerWaalsContact O-CG 3.23Å; R144-R148 WeakPolarHBondContact O-CG 3.47Å; R144-R148 PolarHBondContact O-N 2.97Å; R146-R148 VanDerWaalsContact C-N 3.34Å; R146-R148 PolarHBondContact O-N 2.82Å; R148-E150 VanDerWaalsContact C-N 3.34Å |
| 149 | V | 56.2 | Low | 57.4 | Low | 117 Ų | 117 | 119.1 Ų | 119.1 | 71% | 0.709 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -74.4 | -27 | 175.5 | 171.2 | 0 | 0 | 0 | 0 | 111.4 | Q145 R146 E147 | Q145-V149 WeakPolarHBondContact O-CG2 3.22Å; Q145-V149 PolarHBondContact O-N 3.49Å; Q145-V149 VanDerWaalsContact O-N 3.12Å; R146-V149 PolarHBondContact O-N 2.89Å; R146-V149 VanDerWaalsContact O-N 3.15Å; E147-V149 VanDerWaalsContact C-N 3.35Å |
| 150 | E | 49.8 | Very low | 54.7 | Low | 159 Ų | 159 | 118.6 Ų | 118.6 | 74% | 0.743 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -84.6 | -25.4 | 177.1 | -73.4 | -178.3 | 172.2 | 0 | 0 | 113.9 | R146 E147 R148 | R146-E150 WeakPolarHBondContact O-CG 3.44Å; R146-E150 PolarHBondContact O-N 3.05Å; E147-E150 PolarHBondContact O-N 2.83Å; R148-E150 VanDerWaalsContact C-N 3.34Å |
| 151 | H | 48 | Very low | 52.1 | Low | 166 Ų | 166 | 117.9 Ų | 117.9 | 77% | 0.769 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -105.1 | 9 | -176.3 | -89.9 | -79.4 | 0 | 0 | 0 | 116.1 | E147 P153 | E147-H151 WeakPolarHBondContact O-CB 3.43Å; E147-H151 PolarHBondContact O-N 3.05Å; H151-P153 WeakPolarHBondContact O-CD 3.41Å |
| 152 | E | 41.7 | Very low | 49.6 | Very low | 144 Ų | 144 | 122.6 Ų | 122.6 | 67% | 0.673 | 70% | 0.701 | S | S | * | * | trans | -102.9 | 86.4 | 171.1 | -159.6 | -175.2 | 169.1 | 0 | 0 | 111.2 | C154 | E152-C154 PolarHBondContact O-N 2.77Š| ||
| 153 | P | 47.8 | Very low | 47.4 | Very low | 106 Ų | 106 | 124.7 Ų | 124.7 | 69% | 0.688 | 72% | 0.719 | S | S | * | * | trans | -68.2 | 108.7 | 152.9 | 7.9 | 3.8 | 0 | 0 | 0 | 107.1 | H151 T155 | H151-P153 WeakPolarHBondContact O-CD 3.41Å; P153-T155 VanDerWaalsContact C-N 3.32Å; P153-T155 PolarHBondContact O-N 3.4Å | ||
| 154 | C | 37 | Very low | 45.1 | Very low | 100 Ų | 100 | 125.5 Ų | 125.5 | 68% | 0.676 | 73% | 0.733 | S | S | * | * | trans | -60.5 | 93 | 171.7 | -61.2 | 0 | 0 | 0 | 0 | 110 | E152 C156 | E152-C154 PolarHBondContact O-N 2.77Å; C154-C156 PolarHBondContact O-N 3.08Å; C154-C156 VanDerWaalsContact O-N 3.17Å | ||
| 155 | T | 37.6 | Very low | 43.1 | Very low | 137 Ų | 137 | 123.6 Ų | 123.6 | 84% | 0.84 | 74% | 0.742 | S | S | * | * | trans | -77.6 | 88.9 | 161.6 | 36.3 | 0 | 0 | 0 | 0 | 108.8 | P153 | P153-T155 VanDerWaalsContact C-N 3.32Å; P153-T155 PolarHBondContact O-N 3.4Å | ||
| 156 | C | 35.2 | Very low | 41.5 | Very low | 125 Ų | 125 | 125 Ų | 125 | 85% | 0.845 | 75% | 0.753 | S | S | * | * | trans | -95 | 94.5 | 156.8 | -76.1 | 0 | 0 | 0 | 0 | 107.7 | C154 | C154-C156 PolarHBondContact O-N 3.08Å; C154-C156 VanDerWaalsContact O-N 3.17Å | ||
| 157 | G | 34 | Very low | 39.8 | Very low | 64 Ų | 64 | 120 Ų | 120 | 66% | 0.66 | 75% | 0.752 | S | S | * | * | trans | -71.3 | 151.6 | 170 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 158 | P | 42 | Very low | 38.5 | Very low | 137 Ų | 137 | 120.5 Ų | 120.5 | 89% | 0.89 | 76% | 0.764 | S | S | * | * | trans | -84.5 | 131 | -178.4 | 32.9 | -30.1 | 0 | 0 | 0 | 110.8 | ||||
| 159 | A | 34.5 | Very low | 37 | Very low | 106 Ų | 106 | 117.6 Ų | 117.6 | 88% | 0.876 | 77% | 0.767 | S | S | * | * | trans | -120.9 | 120.3 | 161 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 160 | G | 30.1 | Very low | 35.8 | Very low | 75 Ų | 75 | 117.2 Ų | 117.2 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | trans | 146.3 | 66.5 | 168.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 161 | S | 31.6 | Very low | 35.1 | Very low | 117 Ų | 117 | 113.8 Ų | 113.8 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | trans | 23.9 | 111.7 | 131.7 | 154.3 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 162 | V | 31.2 | Very low | 34.1 | Very low | 138 Ų | 138 | 112.7 Ų | 112.7 | 84% | 0.836 | 77% | 0.774 | S | S | * | * | trans | -152.8 | 137.3 | 135 | -172.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 163 | A | 29.8 | Very low | 34 | Very low | 90 Ų | 90 | 110.1 Ų | 110.1 | 74% | 0.744 | 78% | 0.777 | S | S | * | * | trans | 69.5 | 109.5 | 158.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 164 | A | 30.2 | Very low | 33.3 | Very low | 92 Ų | 92 | 116.6 Ų | 116.6 | 76% | 0.76 | 79% | 0.788 | S | S | * | * | 104.2 | 111.8 | 62.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 165 | S | 30.5 | Very low | 33.6 | Very low | 103 Ų | 103 | 120.7 Ų | 120.7 | 72% | 0.72 | 80% | 0.797 | S | S | * | * | trans | 40.3 | 110 | 133.7 | -161.9 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 166 | L | 32.5 | Very low | 33.4 | Very low | 166 Ų | 166 | 122.1 Ų | 122.1 | 87% | 0.869 | 80% | 0.8 | S | S | * | * | 171 | 115.7 | 107.9 | -85.1 | 164.6 | 0 | 0 | 0 | 109.2 | |||||
| 167 | A | 29.7 | Very low | 34.2 | Very low | 84 Ų | 84 | 123 Ų | 123 | 69% | 0.694 | 80% | 0.796 | S | S | * | * | trans | -99.5 | 165.1 | 144.9 | 0 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 168 | P | 40.2 | Very low | 34.9 | Very low | 113 Ų | 113 | 127 Ų | 127 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | cis | -156.7 | 174.8 | 41.4 | 45.7 | -23.4 | 0 | 0 | 0 | 118.6 | ||||
| 169 | V | 28.5 | Very low | 35.1 | Very low | 130 Ų | 130 | 127.9 Ų | 127.9 | 79% | 0.788 | 80% | 0.799 | S | S | * | * | trans | 50.4 | 134 | 154.6 | -130 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 170 | S | 30.9 | Very low | 35.6 | Very low | 110 Ų | 110 | 126.1 Ų | 126.1 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | cis | -173.1 | 158.1 | 47.3 | -35.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 171 | A | 33.3 | Very low | 36.4 | Very low | 87 Ų | 87 | 126 Ų | 126 | 72% | 0.719 | 78% | 0.777 | S | S | * | * | trans | -26.1 | 144.6 | 167.4 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 172 | T | 29 | Very low | 37.2 | Very low | 142 Ų | 142 | 128.4 Ų | 128.4 | 87% | 0.871 | 78% | 0.775 | S | S | * | * | -170.7 | 144.6 | 105.3 | 29.6 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 173 | A | 38.2 | Very low | 38 | Very low | 91 Ų | 91 | 127.3 Ų | 127.3 | 75% | 0.752 | 76% | 0.764 | S | S | * | * | trans | -70.4 | 139 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 174 | R | 32.8 | Very low | 38.9 | Very low | 241 Ų | 241 | 127.2 Ų | 127.2 | 91% | 0.909 | 75% | 0.754 | S | S | * | * | trans | -174 | 141.2 | 132.3 | -99.3 | 162.2 | -167.4 | -168.8 | 3.3 | 110.4 | ||||
| 175 | E | 43.2 | Very low | 39.7 | Very low | 187 Ų | 187 | 128.5 Ų | 128.5 | 87% | 0.874 | 75% | 0.748 | S | S | * | * | trans | -67.4 | 135.7 | 174.9 | -61.5 | 153.1 | 137.2 | 0 | 0 | 109.5 | ||||
| 176 | D | 34.4 | Very low | 40.7 | Very low | 167 Ų | 167 | 126.4 Ų | 126.4 | 89% | 0.893 | 74% | 0.737 | S | S | * | * | trans | -156.4 | 119.8 | 135.6 | -112.7 | -19.8 | 0 | 0 | 0 | 108.1 | ||||
| 177 | D | 50.8 | Low | 41.3 | Very low | 143 Ų | 143 | 124.7 Ų | 124.7 | 77% | 0.765 | 73% | 0.728 | S | S | * | * | trans | -67.9 | 137.4 | 169.5 | -114.9 | -41 | 0 | 0 | 0 | 108.7 | ||||
| 178 | D | 49.5 | Very low | 42.1 | Very low | 148 Ų | 148 | 127.4 Ų | 127.4 | 79% | 0.791 | 73% | 0.73 | S | S | * | * | trans | 154.3 | 14.2 | 144.1 | -87.9 | -32.9 | 0 | 0 | 0 | 116.7 | ||||
| 179 | D | 47.1 | Very low | 42.5 | Very low | 155 Ų | 155 | 125.6 Ų | 125.6 | 83% | 0.829 | 73% | 0.725 | S | S | * | * | trans | -120 | 16.7 | 171.4 | -73.7 | -50.8 | 0 | 0 | 0 | 114.3 | A181 | D179-A181 VanDerWaalsContact C-N 3.29Å; D179-A181 PolarHBondContact O-N 3.4Å | ||
| 180 | A | 45.1 | Very low | 43.3 | Very low | 69 Ų | 69 | 122.6 Ų | 122.6 | 57% | 0.57 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -81.2 | -1.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | V184 | A180-V184 WeakPolarHBondContact O-CG2 3.45Å |
| 181 | A | 47 | Very low | 44 | Very low | 74 Ų | 74 | 123.2 Ų | 123.2 | 61% | 0.612 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -89.6 | -29.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | D179 | D179-A181 VanDerWaalsContact C-N 3.29Å; D179-A181 PolarHBondContact O-N 3.4Å |
| 182 | E | 47.1 | Very low | 44.6 | Very low | 167 Ų | 167 | 127.3 Ų | 127.3 | 78% | 0.78 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -79.8 | -32.8 | 177.3 | -87.2 | -150.7 | 145.6 | 0 | 0 | 113 | L185 A186 | E182-L185 PolarHBondContact O-N 3.4Å; E182-A186 PolarHBondContact O-N 3.26Å |
| 183 | D | 47.6 | Very low | 45.5 | Very low | 114 Ų | 114 | 124.5 Ų | 124.5 | 61% | 0.61 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -73.4 | -30.8 | -178.7 | -158.7 | 39.5 | 0 | 0 | 0 | 112.1 | A186 L187 | D183-A186 PolarHBondContact O-N 3.03Å; D183-L187 PolarHBondContact O-N 3.39Å; D183-L187 VanDerWaalsContact O-N 3.16Å |
| 184 | V | 48.7 | Very low | 46.3 | Very low | 88 Ų | 88 | 124.8 Ų | 124.8 | 53% | 0.533 | 71% | 0.709 | S | S | . | * | H | α-helix | trans | -73.7 | -31 | 174.5 | -179.5 | 0 | 0 | 0 | 0 | 111.4 | A180 L188 | A180-V184 WeakPolarHBondContact O-CG2 3.45Å; V184-L188 WeakPolarHBondContact O-CG 3.38Å; V184-L188 PolarHBondContact O-N 2.89Å |
| 185 | L | 47.8 | Very low | 47.1 | Very low | 120 Ų | 120 | 115.6 Ų | 115.6 | 63% | 0.628 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -74.6 | -30.8 | 172.9 | -94.7 | 158.8 | 0 | 0 | 0 | 112.6 | E182 L188 A189 | E182-L185 PolarHBondContact O-N 3.4Å; L185-L188 PolarHBondContact O-N 3.32Å; L185-A189 PolarHBondContact O-N 3.42Å |
| 186 | A | 50.4 | Low | 47.7 | Very low | 59 Ų | 59 | 113 Ų | 113 | 49% | 0.488 | 69% | 0.688 | S | S | . | * | H | α-helix | trans | -69.5 | -35.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | E182 D183 L188 A189 | E182-A186 PolarHBondContact O-N 3.26Å; D183-A186 PolarHBondContact O-N 3.03Å; A186-L188 VanDerWaalsContact C-N 3.29Å; A186-L188 PolarHBondContact O-N 2.97Å; A186-A189 PolarHBondContact O-N 2.85Å; A186-A189 VanDerWaalsContact O-N 3.12Å |
| 187 | L | 46.3 | Very low | 48.8 | Very low | 130 Ų | 130 | 115 Ų | 115 | 68% | 0.681 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -67.7 | -25.2 | 173.4 | -90.3 | 153.7 | 0 | 0 | 0 | 113.7 | D183 A189 | D183-L187 PolarHBondContact O-N 3.39Å; D183-L187 VanDerWaalsContact O-N 3.16Å; L187-A189 VanDerWaalsContact C-N 3.31Å |
| 188 | L | 45.7 | Very low | 48.9 | Very low | 141 Ų | 141 | 113.5 Ų | 113.5 | 74% | 0.738 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | -9.1 | 172.8 | -65.3 | 173.2 | 0 | 0 | 0 | 113.2 | V184 L185 A186 | V184-L188 WeakPolarHBondContact O-CG 3.38Å; V184-L188 PolarHBondContact O-N 2.89Å; L185-L188 PolarHBondContact O-N 3.32Å; A186-L188 VanDerWaalsContact C-N 3.29Å; A186-L188 PolarHBondContact O-N 2.97Å |
| 189 | A | 49.1 | Very low | 49.4 | Very low | 75 Ų | 75 | 112.4 Ų | 112.4 | 62% | 0.62 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.2 | 9.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | L185 A186 L187 P191 | L185-A189 PolarHBondContact O-N 3.42Å; A186-A189 PolarHBondContact O-N 2.85Å; A186-A189 VanDerWaalsContact O-N 3.12Å; L187-A189 VanDerWaalsContact C-N 3.31Å; A189-P191 WeakPolarHBondContact O-CD 3.1Å |
| 190 | A | 45.5 | Very low | 50.6 | Low | 66 Ų | 66 | 115.1 Ų | 115.1 | 55% | 0.545 | 68% | 0.679 | S | S | . | * | S | Bend | trans | -62.9 | 123.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | L192 | A190-L192 PolarHBondContact O-N 2.89Š|
| 191 | P | 45.9 | Very low | 52.4 | Low | 123 Ų | 123 | 114.6 Ų | 114.6 | 80% | 0.799 | 67% | 0.668 | S | S | * | * | trans | -57.8 | 117.2 | 174.6 | -18 | 28.9 | 0 | 0 | 0 | 107.7 | A189 A193 | A189-P191 WeakPolarHBondContact O-CD 3.1Å; P191-A193 PolarHBondContact O-N 3.41Å | ||
| 192 | L | 45.9 | Very low | 54.1 | Low | 173 Ų | 173 | 116.2 Ų | 116.2 | 91% | 0.906 | 66% | 0.663 | S | S | * | * | trans | -47.5 | 105.5 | 169.4 | -69.1 | 167.3 | 0 | 0 | 0 | 107.3 | A190 | A190-L192 PolarHBondContact O-N 2.89Š| ||
| 193 | A | 48.4 | Very low | 56.2 | Low | 83 Ų | 83 | 108.2 Ų | 108.2 | 69% | 0.686 | 63% | 0.626 | S | S | * | * | trans | -50.1 | 136.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 107 | P191 G195 | P191-A193 PolarHBondContact O-N 3.41Å; A193-G195 PolarHBondContact O-N 3.49Å | ||
| 194 | P | 53.1 | Low | 58.4 | Low | 98 Ų | 98 | 103.1 Ų | 103.1 | 64% | 0.636 | 60% | 0.6 | S | S | * | * | trans | -58.8 | 106.7 | 178.3 | -15.1 | 26.8 | 0 | 0 | 0 | 107.1 | ||||
| 195 | G | 49.8 | Very low | 60.5 | Low | 47 Ų | 47 | 99 Ų | 99 | 49% | 0.485 | 58% | 0.575 | S | S | . | * | trans | -54.2 | 168.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110 | A193 R197 | A193-G195 PolarHBondContact O-N 3.49Å; G195-R197 PolarHBondContact O-N 3.36Å | ||
| 196 | P | 56.8 | Low | 62.7 | Low | 132 Ų | 132 | 94.7 Ų | 94.7 | 86% | 0.857 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -46 | 114.1 | -179.6 | -23.1 | 30.9 | 0 | 0 | 0 | 108.7 | V198 | P196-V198 VanDerWaalsContact C-N 3.31Å; P196-V198 PolarHBondContact O-N 3.17Å |
| 197 | R | 57.8 | Low | 64.8 | Low | 210 Ų | 210 | 91.9 Ų | 91.9 | 79% | 0.792 | 53% | 0.528 | S | S | * | . | trans | -64.1 | 98.8 | -173.8 | -67.5 | -175.9 | 176.4 | 129.6 | -0.6 | 106.4 | G195 | G195-R197 PolarHBondContact O-N 3.36Š| ||
| 198 | V | 53.4 | Low | 67.1 | Low | 111 Ų | 111 | 90.3 Ų | 90.3 | 67% | 0.673 | 51% | 0.513 | S | S | * | . | trans | -41.4 | 135.5 | 157.3 | -174.8 | 0 | 0 | 0 | 0 | 105.7 | P196 R200 | P196-V198 VanDerWaalsContact C-N 3.31Å; P196-V198 PolarHBondContact O-N 3.17Å; V198-R200 PolarHBondContact O-N 2.89Å | ||
| 199 | P | 58.8 | Low | 69.5 | Low | 125 Ų | 125 | 83.7 Ų | 83.7 | 81% | 0.812 | 48% | 0.479 | S | S | * | . | trans | -54 | 91.1 | 179.3 | -23.8 | 32.1 | 0 | 0 | 0 | 109.6 | V201 | P199-V201 PolarHBondContact O-N 2.98Š| ||
| 200 | R | 72.2 | Confident | 71.7 | Confident | 213 Ų | 213 | 88.8 Ų | 88.8 | 80% | 0.804 | 48% | 0.482 | S | S | * | . | trans | -85.8 | 105.2 | -177.1 | -89.9 | -174.7 | 166.1 | -154.6 | -1.4 | 103.1 | V198 E202 | V198-R200 PolarHBondContact O-N 2.89Å; R200-E202 PolarHBondContact O-N 2.78Å | ||
| 201 | V | 82.3 | Confident | 74 | Confident | 58 Ų | 58 | 93.6 Ų | 93.6 | 35% | 0.352 | 49% | 0.486 | S | S | . | . | trans | -44.4 | 115.9 | 164.3 | 178.9 | 0 | 0 | 0 | 0 | 106.4 | P199 A204 R237 V349 | P199-V201 PolarHBondContact O-N 2.98Å; V201-A204 HydrophobicContact CG1-CB 3.55Å; V201-R237 WeakPolarHBondContact O-CD 3.22Å; V201-R237 PolarHBondContact O-NH1 2.93Å; V201-V349 HydrophobicContact CG1-CG1 3.85Å | ||
| 202 | E | 84.6 | Confident | 76.4 | Confident | 107 Ų | 107 | 92.2 Ų | 92.2 | 50% | 0.5 | 47% | 0.472 | S | S | . | . | S | Bend | trans | -83.3 | -36.8 | -170.6 | -165.8 | 180 | 160.8 | 0 | 0 | 111 | R200 V252 L350 | R200-E202 PolarHBondContact O-N 2.78Å; E202-V252 WeakPolarHBondContact OE1-CG1 3.36Å; E202-L350 HydrophobicContact CB-CD2 3.73Å |
| 203 | A | 90.2 | Very high | 78.7 | Confident | 0 Ų | 0 | 84.8 Ų | 84.8 | 0% | 0 | 44% | 0.436 | C | S | . | . | S | Bend | trans | -137.5 | 127.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110 | R237 Y248 P251 Y256 L350 | A203-R237 WeakPolarHBondContact CA-O 3.43Å; A203-Y248 VanDerWaalsContact CB-OH 3.26Å; A203-Y248 WeakPolarHBondContact CB-OH 3.18Å; A203-P251 HydrophobicContact CB-CG 3.85Å; A203-Y256 HydrophobicContact CB-CE1 4.46Å; A203-L350 HydrophobicContact CB-CB 4.26Å; A203-L350 PolarHBondContact O-N 3.13Å |
| 204 | A | 93.4 | Very high | 80.9 | Confident | 7 Ų | 7 | 84.3 Ų | 84.3 | 6% | 0.058 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.3 | 141 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110 | V201 F235 R236 R237 A348 V349 | V201-A204 HydrophobicContact CG1-CB 3.55Å; A204-F235 HydrophobicContact CB-CD2 3.76Å; A204-F235 HydrophobicContact CB-CE2 3.8Å; A204-R236 CarbonylContact O-C 3.51Å; A204-R236 WeakPolarHBondContact O-CA 3.43Å; A204-R237 PolarHBondContact N-O 2.81Å; A204-R237 PolarHBondContact O-N 2.86Å; A204-A348 CarbonylContact C-O 3.54Å; A204-A348 WeakPolarHBondContact CA-O 3.33Å; A204-V349 HydrophobicContact CB-CB 4.41Å; A204-V349 HydrophobicContact CB-CG1 4.27Å; A204-V349 HydrophobicContact CB-CG2 4.08Å |
| 205 | F | 94 | Very high | 82.9 | Confident | 2 Ų | 2 | 79.7 Ų | 79.7 | 1% | 0.009 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 156.2 | 172.9 | 68.2 | -88.5 | 0 | 0 | 0 | 112.3 | C207 F235 L241 Y248 F346 S347 A348 | F205-C207 HydrophobicContact CD2-CB 4.49Å; F205-F235 CarbonylContact C-O 3.39Å; F205-F235 VanDerWaalsContact CA-O 3.26Å; F205-F235 WeakPolarHBondContact CA-O 3.39Å; F205-F235 WeakPolarHBondContact O-CE2 3.27Å; F205-L241 HydrophobicContact CB-CD2 4.05Å; F205-L241 HydrophobicContact CD1-CB 4.48Å; F205-L241 HydrophobicContact CD1-CD1 4.48Å; F205-L241 HydrophobicContact CD2-CD1 3.92Å; F205-L241 HydrophobicContact CD2-CD2 3.61Å; F205-L241 HydrophobicContact CD2-CG 4.31Å; F205-L241 HydrophobicContact CE1-CD1 4.26Å; F205-L241 HydrophobicContact CE2-CD1 3.66Å; F205-L241 HydrophobicContact CE2-CD2 4.23Å; F205-L241 HydrophobicContact CG-CB 4.48Å; F205-L241 HydrophobicContact CG-CD1 4.33Å; F205-L241 HydrophobicContact CG-CD2 3.81Å; F205-L241 HydrophobicContact CG-CG 4.43Å; F205-L241 HydrophobicContact CZ-CD1 3.85Å; F205-Y248 AromaticContact CD1-CD2 3.67Å; F205-Y248 HydrophobicContact CD1-CD2 3.67Å; F205-Y248 AromaticContact CD1-CE2 3.75Å; F205-Y248 HydrophobicContact CD1-CE2 3.75Å; F205-Y248 HydrophobicContact CD1-CG 4.31Å; F205-Y248 AromaticContact CE1-CD1 3.95Å; F205-Y248 HydrophobicContact CE1-CD1 3.95Å; F205-Y248 AromaticContact CE1-CD2 3.13Å; F205-Y248 HydrophobicContact CE1-CD2 3.13Å; F205-Y248 HydrophobicContact CE1-CE1 4.3Å; F205-Y248 AromaticContact CE1-CE2 3.54Å; F205-Y248 HydrophobicContact CE1-CE2 3.54Å; F205-Y248 AromaticContact CE1-CG 3.34Å; F205-Y248 HydrophobicContact CE1-CG 3.34Å; F205-Y248 AromaticContact CZ-CD2 3.99Å; F205-Y248 HydrophobicContact CZ-CD2 3.99Å; F205-Y248 AromaticContact CZ-CG 3.87Å; F205-Y248 HydrophobicContact CZ-CG 3.87Å; F205-F346 AromaticContact CE2-CD1 3.71Å; F205-F346 HydrophobicContact CE2-CD1 3.71Å; F205-F346 AromaticContact CE2-CE1 3.82Å; F205-F346 HydrophobicContact CE2-CE1 3.82Å; F205-F346 HydrophobicContact CE2-CG 4.26Å; F205-F346 HydrophobicContact CE2-CZ 4.42Å; F205-F346 AromaticContact CZ-CD1 3.97Å; F205-F346 HydrophobicContact CZ-CD1 3.97Å; F205-F346 AromaticContact CZ-CE1 3.56Å; F205-F346 HydrophobicContact CZ-CE1 3.56Å; F205-F346 AromaticContact CZ-CZ 3.9Å; F205-F346 HydrophobicContact CZ-CZ 3.9Å; F205-S347 WeakPolarHBondContact O-CA 3.17Å; F205-S347 WeakPolarHBondContact O-CB 3.17Å; F205-A348 HydrophobicContact CD1-CB 4Å; F205-A348 HydrophobicContact CE1-CB 3.25Å; F205-A348 HydrophobicContact CZ-CB 3.6Å; F205-A348 PolarHBondContact N-O 3.21Å; F205-A348 PolarHBondContact O-N 3.34Å |
| 206 | L | 94.1 | Very high | 85 | Confident | 28 Ų | 28 | 82.3 Ų | 82.3 | 15% | 0.147 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 121.1 | 163.8 | 174.8 | 68.1 | 0 | 0 | 0 | 108 | F235 H345 | L206-F235 HydrophobicContact CB-CD1 4.21Å; L206-F235 HydrophobicContact CB-CE1 3.84Å; L206-F235 HydrophobicContact CB-CE2 4.36Å; L206-F235 HydrophobicContact CB-CZ 3.93Å; L206-F235 HydrophobicContact CD2-CE1 4.46Å; L206-F235 PolarHBondContact N-O 2.82Å; L206-H345 HydrophobicContact CD1-CB 4.06Å |
| 207 | C | 93.9 | Very high | 86.6 | Confident | 0 Ų | 0 | 83.9 Ų | 83.9 | 0% | 0 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 158.1 | 175.7 | 67.3 | 0 | 0 | 0 | 0 | 111.2 | F205 Y226 Y227 L228 L241 L243 H345 F346 | F205-C207 HydrophobicContact CD2-CB 4.49Å; C207-Y226 HydrophobicContact CB-CD1 4.4Å; C207-Y226 HydrophobicContact CB-CG 4.42Å; C207-Y226 VanDerWaalsContact SG-CD1 3.59Å; C207-Y227 WeakPolarHBondContact CA-O 3.13Å; C207-L228 HydrophobicContact CB-CD2 4.28Å; C207-L241 HydrophobicContact CB-CD2 4.2Å; C207-L243 HydrophobicContact CB-CD2 4.29Å; C207-H345 VanDerWaalsContact O-CA 3.24Å; C207-H345 WeakPolarHBondContact O-CA 3.35Å; C207-H345 WeakPolarHBondContact O-CB 3.13Å; C207-F346 PolarHBondContact N-O 2.96Å; C207-F346 PolarHBondContact O-N 2.86Å; C207-F346 PolarHBondContact SG-O 2.88Å; C207-F346 VanDerWaalsContact SG-O 3.34Å |
| 208 | R | 95 | Very high | 88.2 | Confident | 97 Ų | 97 | 82 Ų | 82 | 37% | 0.366 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 146.6 | 179.8 | -70.6 | -176.1 | -179.5 | -175.4 | 0.3 | 111 | R210 Y226 Y227 P229 S344 H345 | R208-R210 PolarHBondContact O-N 3.07Å; R208-Y226 CarbonylContact O-C 3.56Å; R208-Y226 VanDerWaalsContact O-CA 3.22Å; R208-Y226 WeakPolarHBondContact O-CA 3.33Å; R208-Y227 HydrophobicContact CB-CD1 4.16Å; R208-Y227 HydrophobicContact CB-CE1 3.55Å; R208-Y227 HydrophobicContact CB-CE2 4.41Å; R208-Y227 PolarHBondContact N-O 2.81Å; R208-Y227 WeakPolarHBondContact O-CD1 3.03Å; R208-Y227 PolarHBondContact O-N 3.42Å; R208-P229 HydrophobicContact CG-CG 4.2Å; R208-S344 CarbonylContact C-O 3.6Å; R208-S344 VanDerWaalsContact CA-O 3.3Å; R208-S344 WeakPolarHBondContact CA-O 3.15Å; R208-H345 HydrophobicContact CG-CB 4.17Å |
| 209 | L | 95.6 | Very high | 90.1 | Very high | 3 Ų | 3 | 78.1 Ų | 78.1 | 2% | 0.016 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 127.5 | 177.9 | -167.2 | 70.6 | 0 | 0 | 0 | 109.6 | R211 A213 G224 Y226 Y227 V340 G343 S344 | L209-R211 VanDerWaalsContact CD2-O 3.31Å; L209-R211 WeakPolarHBondContact CD2-O 3.13Å; L209-R211 WeakPolarHBondContact CG-O 3.49Å; L209-A213 HydrophobicContact CD2-CB 4.19Å; L209-G224 WeakPolarHBondContact CD1-O 3.43Å; L209-Y226 HydrophobicContact CB-CD1 4.49Å; L209-Y226 HydrophobicContact CB-CE1 4.42Å; L209-Y226 HydrophobicContact CD1-CD1 4.38Å; L209-Y226 HydrophobicContact CD1-CE1 4.08Å; L209-Y227 WeakPolarHBondContact O-CE1 3.46Å; L209-V340 HydrophobicContact CD2-CB 4.3Å; L209-V340 HydrophobicContact CD2-CG1 3.78Å; L209-G343 PolarHBondContact O-N 3.3Å; L209-S344 PolarHBondContact N-O 3.29Å |
| 210 | R | 94.4 | Very high | 91.8 | Very high | 181 Ų | 181 | 76.6 Ų | 76.6 | 68% | 0.683 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -75.1 | -32.6 | -171 | -168.7 | 173.9 | -175.5 | -167.1 | 1.1 | 113.9 | R208 V225 Y227 | R208-R210 PolarHBondContact O-N 3.07Å; R210-V225 HydrophobicContact CB-CG1 4.27Å; R210-V225 WeakPolarHBondContact CB-O 3.1Å; R210-V225 PolarHBondContact N-O 3.07Å; R210-Y227 HydrophobicContact CB-CD1 3.9Å; R210-Y227 HydrophobicContact CG-CD1 4.19Å |
| 211 | R | 94.8 | Very high | 92.9 | Very high | 168 Ų | 168 | 69.6 Ų | 69.6 | 63% | 0.634 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -146 | 161.6 | -176.4 | 60.8 | -180 | 174.8 | 179.5 | -0.2 | 109.8 | L209 A213 | L209-R211 VanDerWaalsContact CD2-O 3.31Å; L209-R211 WeakPolarHBondContact CD2-O 3.13Å; L209-R211 WeakPolarHBondContact CG-O 3.49Å; R211-A213 PolarHBondContact O-N 2.61Å |
| 212 | D | 95.6 | Very high | 93.5 | Very high | 93 Ų | 93 | 70 Ų | 70 | 50% | 0.497 | 31% | 0.311 | S | S | . | . | trans | -63.3 | 134.2 | 176.3 | -58.5 | -8.8 | 0 | 0 | 0 | 110.3 | V340 S342 | D212-V340 CarbonylContact C-O 3.48Å; D212-V340 WeakPolarHBondContact CA-O 3.26Å; D212-S342 WeakPolarHBondContact OD1-CB 3.01Å; D212-S342 PolarHBondContact OD1-N 3.44Å; D212-S342 PolarHBondContact OD1-OG 2.86Å; D212-S342 VanDerWaalsContact OD1-OG 3.07Å | ||
| 213 | A | 94.6 | Very high | 94.1 | Very high | 17 Ų | 17 | 64.9 Ų | 64.9 | 14% | 0.14 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 120 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110 | L209 R211 L223 T339 V340 | L209-A213 HydrophobicContact CD2-CB 4.19Å; R211-A213 PolarHBondContact O-N 2.61Å; A213-L223 HydrophobicContact CB-CD2 3.99Å; A213-T339 CarbonylContact O-C 3.52Å; A213-T339 WeakPolarHBondContact O-CA 3.22Å; A213-V340 HydrophobicContact CB-CB 4.35Å; A213-V340 PolarHBondContact N-O 3.33Å; A213-V340 PolarHBondContact O-N 2.59Å |
| 214 | L | 94.8 | Very high | 94.2 | Very high | 74 Ų | 74 | 65.8 Ų | 65.8 | 39% | 0.387 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 124.9 | 175.8 | -177.6 | 69.9 | 0 | 0 | 0 | 109.7 | T339 | L214-T339 HydrophobicContact CD1-CG2 3.82Å |
| 215 | V | 95.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 117.4 | 175.2 | -177.9 | 0 | 0 | 0 | 0 | 108.7 | H221 L330 N332 S337 L338 V340 | V215-H221 HydrophobicContact CB-CB 4.37Å; V215-H221 HydrophobicContact CG1-CB 3.85Å; V215-H221 HydrophobicContact CG2-CB 3.87Å; V215-L330 HydrophobicContact CG2-CD2 4.26Å; V215-N332 HydrophobicContact CG1-CB 3.68Å; V215-S337 WeakPolarHBondContact O-CA 3.42Å; V215-L338 HydrophobicContact CB-CD1 3.59Å; V215-L338 HydrophobicContact CB-CG 4.03Å; V215-L338 HydrophobicContact CG1-CD1 4.28Å; V215-L338 HydrophobicContact CG2-CD1 3.89Å; V215-L338 PolarHBondContact N-O 3.4Å; V215-L338 PolarHBondContact O-N 2.84Å; V215-V340 HydrophobicContact CG2-CG2 4.04Å |
| 216 | E | 93.3 | Very high | 94.4 | Very high | 102 Ų | 102 | 68 Ų | 68 | 48% | 0.477 | 31% | 0.309 | S | S | . | . | trans | -66 | 160.8 | 179.3 | -71.3 | -61.2 | 156.9 | 0 | 0 | 112.3 | A219 N332 | E216-A219 HydrophobicContact CB-CB 3.99Å; E216-N332 WeakPolarHBondContact O-CB 2.97Å; E216-N332 PolarHBondContact O-ND2 2.85Å | ||
| 217 | R | 91.4 | Very high | 94.4 | Very high | 166 Ų | 166 | 70.8 Ų | 70.8 | 63% | 0.626 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | 140.2 | 174.2 | 60.1 | -173.7 | 168.6 | -177.1 | -4.7 | 111 | A219 G335 | R217-A219 PolarHBondContact O-N 2.97Å; R217-G335 WeakPolarHBondContact CB-O 3.4Å; R217-G335 WeakPolarHBondContact CD-O 3.34Å |
| 218 | R | 91.1 | Very high | 94.3 | Very high | 170 Ų | 170 | 72.6 Ų | 72.6 | 64% | 0.642 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | 36.8 | 178.6 | -53.8 | -175.5 | -179.8 | -72.2 | -10.5 | 113.2 | N332 S334 | R218-N332 CarbonylContact C-O 3.58Å; R218-N332 WeakPolarHBondContact CA-O 3.43Å; R218-N332 PolarHBondContact N-O 2.8Å; R218-S334 PolarHBondContact N-O 3.23Å |
| 219 | A | 93.5 | Very high | 94 | Very high | 30 Ų | 30 | 68.5 Ų | 68.5 | 25% | 0.248 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 142.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | E216 R217 N332 | E216-A219 HydrophobicContact CB-CB 3.99Å; R217-A219 PolarHBondContact O-N 2.97Å; A219-N332 PolarHBondContact N-O 2.88Å; A219-N332 PolarHBondContact O-N 2.95Å |
| 220 | L | 94.2 | Very high | 93.3 | Very high | 93 Ų | 93 | 76.4 Ų | 76.4 | 49% | 0.487 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 124.6 | 166.6 | -176.5 | 70.1 | 0 | 0 | 0 | 108.6 | L284 F329 D331 | L220-L284 HydrophobicContact CD1-CD1 4.17Å; L220-F329 HydrophobicContact CD1-CB 3.84Å; L220-F329 HydrophobicContact CD1-CD1 4.38Å; L220-F329 HydrophobicContact CD1-CG 4.49Å; L220-F329 HydrophobicContact CD2-CD1 4.19Å; L220-F329 HydrophobicContact CG-CB 4.44Å; L220-F329 HydrophobicContact CG-CD1 4.07Å; L220-D331 HydrophobicContact CD1-CB 3.75Å |
| 221 | H | 95.1 | Very high | 92.6 | Very high | 66 Ų | 66 | 70.5 Ų | 70.5 | 31% | 0.306 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 127.1 | -178.7 | -169.6 | 81.8 | 0 | 0 | 0 | 111.2 | V215 F329 L330 | V215-H221 HydrophobicContact CB-CB 4.37Å; V215-H221 HydrophobicContact CG1-CB 3.85Å; V215-H221 HydrophobicContact CG2-CB 3.87Å; H221-F329 CarbonylContact O-C 3.53Å; H221-F329 VanDerWaalsContact O-CA 3.3Å; H221-F329 WeakPolarHBondContact O-CA 3.39Å; H221-L330 PolarHBondContact N-O 2.93Å; H221-L330 PolarHBondContact O-N 3.16Å |
| 222 | E | 95.6 | Very high | 91.3 | Very high | 65 Ų | 65 | 72.3 Ų | 72.3 | 30% | 0.304 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 122.2 | 172.2 | -168.5 | 172.1 | -177.8 | 0 | 0 | 109.4 | Q247 S327 F329 | E222-Q247 PolarHBondContact OE1-NE2 2.82Å; E222-S327 VanDerWaalsContact OE1-CB 3.29Å; E222-S327 WeakPolarHBondContact OE1-CB 3.38Å; E222-S327 PolarHBondContact OE1-OG 2.96Å; E222-F329 HydrophobicContact CB-CD1 3.77Å; E222-F329 HydrophobicContact CB-CE1 3.45Å; E222-F329 VanDerWaalsContact CB-CE1 3.45Å; E222-F329 HydrophobicContact CB-CZ 4.1Å; E222-F329 HydrophobicContact CG-CD1 4.12Å; E222-F329 HydrophobicContact CG-CE1 3.61Å; E222-F329 HydrophobicContact CG-CE2 4.35Å; E222-F329 HydrophobicContact CG-CZ 3.7Å |
| 223 | L | 95.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 37% | 0.366 | C | S | . | . | trans | -82.1 | 127.2 | 178.4 | -67 | 174.3 | 0 | 0 | 0 | 110.2 | A213 Y226 L262 V328 V340 | A213-L223 HydrophobicContact CB-CD2 3.99Å; L223-Y226 WeakPolarHBondContact CB-OH 3.49Å; L223-Y226 VanDerWaalsContact O-CE2 3.28Å; L223-Y226 WeakPolarHBondContact O-CE2 3.2Å; L223-Y226 PolarHBondContact O-OH 3.02Å; L223-L262 HydrophobicContact CD1-CD1 3.48Å; L223-L262 VanDerWaalsContact CD1-CD1 3.48Å; L223-L262 HydrophobicContact CD1-CD2 3.48Å; L223-L262 VanDerWaalsContact CD1-CD2 3.48Å; L223-L262 HydrophobicContact CD1-CG 4.14Å; L223-V328 HydrophobicContact CD1-CG1 4.05Å; L223-V328 PolarHBondContact N-O 3.29Å; L223-V340 HydrophobicContact CD1-CG1 4.34Å; L223-V340 HydrophobicContact CD2-CB 4.24Å; L223-V340 HydrophobicContact CD2-CG1 4.29Å; L223-V340 HydrophobicContact CD2-CG2 4.11Å | ||
| 224 | G | 93.9 | Very high | 89.6 | Confident | 19 Ų | 19 | 71.6 Ų | 71.6 | 20% | 0.196 | 37% | 0.374 | C | S | . | . | trans | -138.6 | -173.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L209 | L209-G224 WeakPolarHBondContact CD1-O 3.43Š| ||
| 225 | V | 94.6 | Very high | 89.2 | Confident | 47 Ų | 47 | 72.3 Ų | 72.3 | 29% | 0.285 | 37% | 0.374 | S | S | . | . | trans | 60.5 | 64.3 | 179.6 | -163.4 | 0 | 0 | 0 | 0 | 112 | R210 L243 T244 | R210-V225 HydrophobicContact CB-CG1 4.27Å; R210-V225 WeakPolarHBondContact CB-O 3.1Å; R210-V225 PolarHBondContact N-O 3.07Å; V225-L243 CarbonylContact C-O 3.57Å; V225-L243 WeakPolarHBondContact CA-O 3.48Å; V225-L243 PolarHBondContact N-O 3.37Å; V225-T244 PolarHBondContact N-O 2.89Å | ||
| 226 | Y | 95.1 | Very high | 88.9 | Confident | 10 Ų | 10 | 78.8 Ų | 78.8 | 4% | 0.039 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 163.5 | 174.7 | -62.2 | -90.7 | 0 | 0 | 0 | 111.8 | C207 R208 L209 L223 L243 G246 F346 | C207-Y226 HydrophobicContact CB-CD1 4.4Å; C207-Y226 HydrophobicContact CB-CG 4.42Å; C207-Y226 VanDerWaalsContact SG-CD1 3.59Å; R208-Y226 CarbonylContact O-C 3.56Å; R208-Y226 VanDerWaalsContact O-CA 3.22Å; R208-Y226 WeakPolarHBondContact O-CA 3.33Å; L209-Y226 HydrophobicContact CB-CD1 4.49Å; L209-Y226 HydrophobicContact CB-CE1 4.42Å; L209-Y226 HydrophobicContact CD1-CD1 4.38Å; L209-Y226 HydrophobicContact CD1-CE1 4.08Å; L223-Y226 WeakPolarHBondContact CB-OH 3.49Å; L223-Y226 VanDerWaalsContact O-CE2 3.28Å; L223-Y226 WeakPolarHBondContact O-CE2 3.2Å; L223-Y226 PolarHBondContact O-OH 3.02Å; Y226-L243 PolarHBondContact N-O 3.49Å; Y226-G246 VanDerWaalsContact CE2-CA 3.45Å; Y226-F346 HydrophobicContact CE1-CB 4.19Å |
| 227 | Y | 94 | Very high | 88.8 | Confident | 85 Ų | 85 | 80 Ų | 80 | 33% | 0.333 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 158.9 | 165.3 | 72.8 | -78.2 | 0 | 0 | 0 | 109.6 | C207 R208 L209 R210 P229 | C207-Y227 WeakPolarHBondContact CA-O 3.13Å; R208-Y227 HydrophobicContact CB-CD1 4.16Å; R208-Y227 HydrophobicContact CB-CE1 3.55Å; R208-Y227 HydrophobicContact CB-CE2 4.41Å; R208-Y227 PolarHBondContact N-O 2.81Å; R208-Y227 WeakPolarHBondContact O-CD1 3.03Å; R208-Y227 PolarHBondContact O-N 3.42Å; L209-Y227 WeakPolarHBondContact O-CE1 3.46Å; R210-Y227 HydrophobicContact CB-CD1 3.9Å; R210-Y227 HydrophobicContact CG-CD1 4.19Å; Y227-P229 HydrophobicContact CE2-CB 4.19Å |
| 228 | L | 92.6 | Very high | 88.6 | Confident | 39 Ų | 39 | 74 Ų | 74 | 20% | 0.204 | 39% | 0.388 | C | S | . | . | trans | -90.2 | 121.2 | 170.9 | -63.3 | 162.2 | 0 | 0 | 0 | 106.7 | C207 R236 L241 L243 | C207-L228 HydrophobicContact CB-CD2 4.28Å; L228-R236 HydrophobicContact CD1-CB 4.46Å; L228-R236 HydrophobicContact CD1-CG 4.47Å; L228-R236 HydrophobicContact CD2-CB 4.3Å; L228-L241 HydrophobicContact CD2-CD2 4.08Å; L228-L243 HydrophobicContact CD1-CD1 4.08Å; L228-L243 HydrophobicContact CD2-CD2 4.25Å; L228-L243 HydrophobicContact CG-CD1 4.13Å; L228-L243 HydrophobicContact CG-CD2 4.01Å | ||
| 229 | P | 88.6 | Confident | 88.2 | Confident | 11 Ų | 11 | 71.1 Ų | 71.1 | 7% | 0.071 | 39% | 0.394 | C | S | . | . | trans | -65.5 | 138.3 | 172.7 | 22.8 | -25.3 | 0 | 0 | 0 | 109.3 | R208 Y227 A231 A234 | R208-P229 HydrophobicContact CG-CG 4.2Å; Y227-P229 HydrophobicContact CE2-CB 4.19Å; P229-A231 PolarHBondContact O-N 2.86Å; P229-A234 HydrophobicContact CB-CB 4.27Å; P229-A234 HydrophobicContact CG-CB 3.78Å; P229-A234 WeakPolarHBondContact O-CB 3.43Å | ||
| 230 | D | 81.4 | Confident | 87.9 | Confident | 168 Ų | 168 | 70.1 Ų | 70.1 | 90% | 0.898 | 39% | 0.387 | S | S | * | . | trans | -89.3 | 13.4 | 172.3 | -63.3 | -37.4 | 0 | 0 | 0 | 111.9 | ||||
| 231 | A | 80.1 | Confident | 87.8 | Confident | 58 Ų | 58 | 66.4 Ų | 66.4 | 48% | 0.479 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -84.9 | 160.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | P229 G233 A234 | P229-A231 PolarHBondContact O-N 2.86Å; A231-G233 PolarHBondContact O-N 3.46Å; A231-A234 VanDerWaalsContact O-CB 3.22Å; A231-A234 WeakPolarHBondContact O-CB 3.43Å; A231-A234 PolarHBondContact O-N 3.42Å |
| 232 | E | 67.1 | Low | 87.8 | Confident | 205 Ų | 205 | 67 Ų | 67 | 96% | 0.958 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | 129.9 | 174.9 | -162.3 | 168.5 | -167.7 | 0 | 0 | 111.1 | ||
| 233 | G | 73.2 | Confident | 87.6 | Confident | 58 Ų | 58 | 66.1 Ų | 66.1 | 60% | 0.598 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.3 | -3.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | A231 F235 | A231-G233 PolarHBondContact O-N 3.46Å; G233-F235 WeakPolarHBondContact O-CD1 3.17Å |
| 234 | A | 80.4 | Confident | 87.5 | Confident | 38 Ų | 38 | 71.4 Ų | 71.4 | 31% | 0.314 | 40% | 0.403 | S | S | . | . | trans | -77.4 | 136.2 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | P229 A231 | P229-A234 HydrophobicContact CB-CB 4.27Å; P229-A234 HydrophobicContact CG-CB 3.78Å; P229-A234 WeakPolarHBondContact O-CB 3.43Å; A231-A234 VanDerWaalsContact O-CB 3.22Å; A231-A234 WeakPolarHBondContact O-CB 3.43Å; A231-A234 PolarHBondContact O-N 3.42Å | ||
| 235 | F | 87.6 | Confident | 87.4 | Confident | 88 Ų | 88 | 72.1 Ų | 72.1 | 39% | 0.386 | 41% | 0.405 | S | S | . | . | trans | -137.9 | 145.3 | 176.6 | 54.8 | -88.7 | 0 | 0 | 0 | 110.2 | A204 F205 L206 G233 V349 | A204-F235 HydrophobicContact CB-CD2 3.76Å; A204-F235 HydrophobicContact CB-CE2 3.8Å; F205-F235 CarbonylContact C-O 3.39Å; F205-F235 VanDerWaalsContact CA-O 3.26Å; F205-F235 WeakPolarHBondContact CA-O 3.39Å; F205-F235 WeakPolarHBondContact O-CE2 3.27Å; L206-F235 HydrophobicContact CB-CD1 4.21Å; L206-F235 HydrophobicContact CB-CE1 3.84Å; L206-F235 HydrophobicContact CB-CE2 4.36Å; L206-F235 HydrophobicContact CB-CZ 3.93Å; L206-F235 HydrophobicContact CD2-CE1 4.46Å; L206-F235 PolarHBondContact N-O 2.82Å; G233-F235 WeakPolarHBondContact O-CD1 3.17Å; F235-V349 HydrophobicContact CE2-CG2 4.17Å; F235-V349 HydrophobicContact CZ-CG2 4.42Å | ||
| 236 | R | 89.4 | Confident | 87.3 | Confident | 137 Ų | 137 | 69.9 Ų | 69.9 | 52% | 0.517 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 131.8 | 167.3 | 176.8 | 176.6 | 176.1 | -169.8 | 5.4 | 109.1 | A204 L228 | A204-R236 CarbonylContact O-C 3.51Å; A204-R236 WeakPolarHBondContact O-CA 3.43Å; L228-R236 HydrophobicContact CD1-CB 4.46Å; L228-R236 HydrophobicContact CD1-CG 4.47Å; L228-R236 HydrophobicContact CD2-CB 4.3Å |
| 237 | R | 89.9 | Confident | 87.2 | Confident | 128 Ų | 128 | 72 Ų | 72 | 48% | 0.483 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 137.4 | 175.3 | -163.1 | 177.3 | -77.5 | 179.1 | 0.5 | 109.1 | V201 A203 A204 | V201-R237 WeakPolarHBondContact O-CD 3.22Å; V201-R237 PolarHBondContact O-NH1 2.93Å; A203-R237 WeakPolarHBondContact CA-O 3.43Å; A204-R237 PolarHBondContact N-O 2.81Å; A204-R237 PolarHBondContact O-N 2.86Å |
| 238 | G | 86.8 | Confident | 87.3 | Confident | 39 Ų | 39 | 68.1 Ų | 68.1 | 40% | 0.402 | 39% | 0.386 | S | S | . | . | S | Bend | trans | 86.1 | 166.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 239 | S | 82.9 | Confident | 87.5 | Confident | 109 Ų | 109 | 72.9 Ų | 72.9 | 76% | 0.762 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -102.5 | 7.5 | -173.5 | 52 | 0 | 0 | 0 | 0 | 114.3 | ||
| 240 | G | 88.2 | Confident | 87.7 | Confident | 10 Ų | 10 | 72.4 Ų | 72.4 | 10% | 0.103 | 40% | 0.398 | C | S | . | . | trans | -76.4 | -22.1 | -171 | 0 | 0 | 0 | 0 | 0 | 116.7 | Y248 R249 | G240-Y248 CarbonylContact O-C 3.46Å; G240-R249 WeakPolarHBondContact CA-O 3.31Å; G240-R249 PolarHBondContact O-N 3.21Å | ||
| 241 | L | 92.1 | Very high | 88.2 | Confident | 14 Ų | 14 | 66.2 Ų | 66.2 | 7% | 0.073 | 37% | 0.367 | C | S | . | . | B | Isolated β-bridge | trans | -86.2 | 120.9 | -171.3 | -176.3 | 67.6 | 0 | 0 | 0 | 112.5 | F205 C207 L228 L243 Y248 | F205-L241 HydrophobicContact CB-CD2 4.05Å; F205-L241 HydrophobicContact CD1-CB 4.48Å; F205-L241 HydrophobicContact CD1-CD1 4.48Å; F205-L241 HydrophobicContact CD2-CD1 3.92Å; F205-L241 HydrophobicContact CD2-CD2 3.61Å; F205-L241 HydrophobicContact CD2-CG 4.31Å; F205-L241 HydrophobicContact CE1-CD1 4.26Å; F205-L241 HydrophobicContact CE2-CD1 3.66Å; F205-L241 HydrophobicContact CE2-CD2 4.23Å; F205-L241 HydrophobicContact CG-CB 4.48Å; F205-L241 HydrophobicContact CG-CD1 4.33Å; F205-L241 HydrophobicContact CG-CD2 3.81Å; F205-L241 HydrophobicContact CG-CG 4.43Å; F205-L241 HydrophobicContact CZ-CD1 3.85Å; C207-L241 HydrophobicContact CB-CD2 4.2Å; L228-L241 HydrophobicContact CD2-CD2 4.08Å; L241-L243 HydrophobicContact CD2-CD2 3.62Å; L241-L243 HydrophobicContact CG-CD2 4.11Å; L241-Y248 HydrophobicContact CB-CD2 4.21Å |
| 242 | N | 93.6 | Very high | 88.8 | Confident | 79 Ų | 79 | 65 Ų | 65 | 42% | 0.422 | 35% | 0.353 | S | S | . | . | trans | -98.3 | 110.2 | 166.7 | -173 | -26.6 | 0 | 0 | 0 | 110.2 | T244 S245 G246 Q247 | N242-T244 PolarHBondContact O-N 3.25Å; N242-T244 PolarHBondContact OD1-N 3.42Å; N242-S245 WeakPolarHBondContact CB-OG 3.42Å; N242-S245 PolarHBondContact ND2-OG 3.21Å; N242-S245 PolarHBondContact OD1-N 3.01Å; N242-G246 VanDerWaalsContact O-CA 3.31Å; N242-G246 WeakPolarHBondContact O-CA 3.24Å; N242-G246 PolarHBondContact O-N 2.92Å; N242-Q247 PolarHBondContact N-O 3.33Å; N242-Q247 PolarHBondContact O-N 3.38Å | ||
| 243 | L | 92.2 | Very high | 90.1 | Very high | 47 Ų | 47 | 56.9 Ų | 56.9 | 25% | 0.246 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -31.8 | -177.5 | -66.2 | 174.7 | 0 | 0 | 0 | 113.1 | C207 V225 Y226 L228 L241 | C207-L243 HydrophobicContact CB-CD2 4.29Å; V225-L243 CarbonylContact C-O 3.57Å; V225-L243 WeakPolarHBondContact CA-O 3.48Å; V225-L243 PolarHBondContact N-O 3.37Å; Y226-L243 PolarHBondContact N-O 3.49Å; L228-L243 HydrophobicContact CD1-CD1 4.08Å; L228-L243 HydrophobicContact CD2-CD2 4.25Å; L228-L243 HydrophobicContact CG-CD1 4.13Å; L228-L243 HydrophobicContact CG-CD2 4.01Å; L241-L243 HydrophobicContact CD2-CD2 3.62Å; L241-L243 HydrophobicContact CG-CD2 4.11Å |
| 244 | T | 93.4 | Very high | 91.1 | Very high | 111 Ų | 111 | 54.1 Ų | 54.1 | 68% | 0.681 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -49.9 | -177.3 | -52.6 | 0 | 0 | 0 | 0 | 110.9 | V225 N242 | V225-T244 PolarHBondContact N-O 2.89Å; N242-T244 PolarHBondContact O-N 3.25Å; N242-T244 PolarHBondContact OD1-N 3.42Å |
| 245 | S | 92 | Very high | 91.8 | Very high | 34 Ų | 34 | 57.1 Ų | 57.1 | 24% | 0.238 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -19.7 | 178.7 | 62.8 | 0 | 0 | 0 | 0 | 113.5 | N242 Q247 | N242-S245 WeakPolarHBondContact CB-OG 3.42Å; N242-S245 PolarHBondContact ND2-OG 3.21Å; N242-S245 PolarHBondContact OD1-N 3.01Å; S245-Q247 PolarHBondContact O-N 3.09Å; S245-Q247 WeakPolarHBondContact OG-CB 3.3Å; S245-Q247 PolarHBondContact OG-N 3.39Å |
| 246 | G | 91.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.281 | C | S | . | . | trans | 77 | 8.7 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y226 N242 | Y226-G246 VanDerWaalsContact CE2-CA 3.45Å; N242-G246 VanDerWaalsContact O-CA 3.31Å; N242-G246 WeakPolarHBondContact O-CA 3.24Å; N242-G246 PolarHBondContact O-N 2.92Å | ||
| 247 | Q | 94.8 | Very high | 92.5 | Very high | 55 Ų | 55 | 47.9 Ų | 47.9 | 26% | 0.257 | 27% | 0.269 | S | S | . | . | trans | -92.6 | 129.2 | -176.3 | -64.9 | 167.3 | 2.6 | 0 | 0 | 110.1 | E222 N242 S245 W325 | E222-Q247 PolarHBondContact OE1-NE2 2.82Å; N242-Q247 PolarHBondContact N-O 3.33Å; N242-Q247 PolarHBondContact O-N 3.38Å; S245-Q247 PolarHBondContact O-N 3.09Å; S245-Q247 WeakPolarHBondContact OG-CB 3.3Å; S245-Q247 PolarHBondContact OG-N 3.39Å; Q247-W325 HydrophobicContact CB-CE3 4.3Å; Q247-W325 HydrophobicContact CG-CE3 3.85Å; Q247-W325 HydrophobicContact CG-CZ3 4.02Å | ||
| 248 | Y | 95.3 | Very high | 92.8 | Very high | 3 Ų | 3 | 42 Ų | 42 | 1% | 0.012 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 111.1 | 171.8 | 173.7 | -108.4 | 0 | 0 | 0 | 110.2 | A203 F205 G240 L241 P251 Y256 L320 W325 A326 A348 | A203-Y248 VanDerWaalsContact CB-OH 3.26Å; A203-Y248 WeakPolarHBondContact CB-OH 3.18Å; F205-Y248 AromaticContact CD1-CD2 3.67Å; F205-Y248 HydrophobicContact CD1-CD2 3.67Å; F205-Y248 AromaticContact CD1-CE2 3.75Å; F205-Y248 HydrophobicContact CD1-CE2 3.75Å; F205-Y248 HydrophobicContact CD1-CG 4.31Å; F205-Y248 AromaticContact CE1-CD1 3.95Å; F205-Y248 HydrophobicContact CE1-CD1 3.95Å; F205-Y248 AromaticContact CE1-CD2 3.13Å; F205-Y248 HydrophobicContact CE1-CD2 3.13Å; F205-Y248 HydrophobicContact CE1-CE1 4.3Å; F205-Y248 AromaticContact CE1-CE2 3.54Å; F205-Y248 HydrophobicContact CE1-CE2 3.54Å; F205-Y248 AromaticContact CE1-CG 3.34Å; F205-Y248 HydrophobicContact CE1-CG 3.34Å; F205-Y248 AromaticContact CZ-CD2 3.99Å; F205-Y248 HydrophobicContact CZ-CD2 3.99Å; F205-Y248 AromaticContact CZ-CG 3.87Å; F205-Y248 HydrophobicContact CZ-CG 3.87Å; G240-Y248 CarbonylContact O-C 3.46Å; L241-Y248 HydrophobicContact CB-CD2 4.21Å; Y248-P251 WeakPolarHBondContact OH-CD 3.49Å; Y248-Y256 AromaticContact CE1-CD1 3.86Å; Y248-Y256 HydrophobicContact CE1-CD1 3.86Å; Y248-Y256 AromaticContact CE1-CE1 3.83Å; Y248-Y256 HydrophobicContact CE1-CE1 3.83Å; Y248-Y256 AromaticContact CZ-CE1 3.96Å; Y248-Y256 WeakPolarHBondContact OH-CE1 3.42Å; Y248-L320 HydrophobicContact CD1-CD1 4.28Å; Y248-L320 HydrophobicContact CE1-CD1 4.25Å; Y248-W325 CarbonylContact O-C 3.46Å; Y248-W325 WeakPolarHBondContact O-CA 3.47Å; Y248-A326 PolarHBondContact N-O 3.07Å; Y248-A326 PolarHBondContact O-N 3.04Å; Y248-A348 HydrophobicContact CE1-CB 4.47Å |
| 249 | R | 95.8 | Very high | 93.2 | Very high | 139 Ų | 139 | 41 Ų | 41 | 53% | 0.525 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 120.8 | 174.2 | -179.2 | 174.4 | -87.6 | -104.9 | -2.9 | 110.3 | G240 P251 G323 Q324 W325 | G240-R249 WeakPolarHBondContact CA-O 3.31Å; G240-R249 PolarHBondContact O-N 3.21Å; R249-P251 WeakPolarHBondContact O-CD 3.38Å; R249-G323 PolarHBondContact NH1-O 3.25Å; R249-G323 PolarHBondContact NH2-O 3.33Å; R249-Q324 CarbonylContact C-O 3.59Å; R249-Q324 VanDerWaalsContact CA-O 3.32Å; R249-Q324 WeakPolarHBondContact CA-O 3.49Å; R249-W325 HydrophobicContact CB-CB 4.37Å |
| 250 | A | 94.3 | Very high | 93.9 | Very high | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.008 | 20% | 0.198 | C | C | . | . | trans | -64.1 | 118.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | V252 Y256 L320 G323 Q324 | A250-V252 VanDerWaalsContact C-N 3.35Å; A250-Y256 HydrophobicContact CB-CE2 3.92Å; A250-L320 HydrophobicContact CB-CB 3.65Å; A250-L320 HydrophobicContact CB-CD1 4.07Å; A250-G323 PolarHBondContact O-N 2.03Å; A250-Q324 PolarHBondContact N-O 3.2Å | ||
| 251 | P | 92.3 | Very high | 94.3 | Very high | 37 Ų | 37 | 36.3 Ų | 36.3 | 24% | 0.24 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -71.2 | -32.2 | 178 | 27.6 | -33.6 | 0 | 0 | 0 | 112.2 | A203 Y248 R249 Y256 | A203-P251 HydrophobicContact CB-CG 3.85Å; Y248-P251 WeakPolarHBondContact OH-CD 3.49Å; R249-P251 WeakPolarHBondContact O-CD 3.38Å; P251-Y256 WeakPolarHBondContact CD-OH 3.15Å |
| 252 | V | 92.3 | Very high | 94.5 | Very high | 32 Ų | 32 | 35.8 Ų | 35.8 | 19% | 0.194 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -130 | 156 | 178.2 | -63.3 | 0 | 0 | 0 | 0 | 110.3 | E202 A250 Y256 L350 V353 | E202-V252 WeakPolarHBondContact OE1-CG1 3.36Å; A250-V252 VanDerWaalsContact C-N 3.35Å; V252-Y256 WeakPolarHBondContact CG2-OH 3.26Å; V252-Y256 PolarHBondContact N-OH 2.87Å; V252-Y256 PolarHBondContact O-OH 3Å; V252-L350 HydrophobicContact CG2-CD1 4.2Å; V252-L350 HydrophobicContact CG2-CD2 3.48Å; V252-L350 VanDerWaalsContact CG2-CD2 3.48Å; V252-L350 HydrophobicContact CG2-CG 4.5Å; V252-V353 HydrophobicContact CG2-CG1 4.4Å |
| 253 | A | 94.4 | Very high | 94.6 | Very high | 35 Ų | 35 | 35 Ų | 35 | 29% | 0.289 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -77.3 | 131.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110 | L320 V353 | A253-L320 CarbonylContact C-O 3.58Å; A253-L320 VanDerWaalsContact CA-O 3.24Å; A253-L320 WeakPolarHBondContact CA-O 3.43Å; A253-V353 WeakPolarHBondContact O-CB 3.22Å; A253-V353 WeakPolarHBondContact O-CG1 3.49Å |
| 254 | G | 94.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 169.8 | -172.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y256 Y319 L320 G352 | G254-Y256 VanDerWaalsContact O-CD2 3.26Å; G254-Y256 WeakPolarHBondContact O-CD2 3.29Å; G254-Y319 WeakPolarHBondContact O-CA 3.3Å; G254-L320 PolarHBondContact N-O 2.95Å; G254-L320 PolarHBondContact O-N 2.88Å; G254-G352 CarbonylContact C-O 3.57Å; G254-G352 VanDerWaalsContact CA-O 3.29Å; G254-G352 WeakPolarHBondContact CA-O 3.47Å |
| 255 | F | 94.7 | Very high | 94.7 | Very high | 102 Ų | 102 | 28.4 Ų | 28.4 | 45% | 0.447 | 15% | 0.154 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 120 | 177.8 | -63.7 | -83.3 | 0 | 0 | 0 | 111.1 | I317 Y319 L351 G352 | F255-I317 HydrophobicContact CB-CG2 4.03Å; F255-I317 HydrophobicContact CD1-CG2 4.1Å; F255-Y319 HydrophobicContact CD1-CD2 4.06Å; F255-Y319 HydrophobicContact CD2-CD2 4.19Å; F255-Y319 AromaticContact CE1-CD2 3.9Å; F255-Y319 HydrophobicContact CE1-CD2 3.9Å; F255-Y319 HydrophobicContact CE1-CG 4.48Å; F255-Y319 HydrophobicContact CE2-CD2 4.03Å; F255-Y319 HydrophobicContact CE2-CE2 4.35Å; F255-Y319 HydrophobicContact CG-CD2 4.21Å; F255-Y319 AromaticContact CZ-CD2 3.89Å; F255-Y319 HydrophobicContact CZ-CD2 3.89Å; F255-Y319 HydrophobicContact CZ-CE2 4.48Å; F255-L351 PolarHBondContact O-N 3.46Å; F255-G352 PolarHBondContact N-O 2.94Å |
| 256 | Y | 95 | Very high | 94.5 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 122 | 178.4 | -67.1 | -93.9 | 0 | 0 | 0 | 110 | A203 Y248 A250 P251 V252 G254 L258 I317 L318 L320 V349 L350 | A203-Y256 HydrophobicContact CB-CE1 4.46Å; Y248-Y256 AromaticContact CE1-CD1 3.86Å; Y248-Y256 HydrophobicContact CE1-CD1 3.86Å; Y248-Y256 AromaticContact CE1-CE1 3.83Å; Y248-Y256 HydrophobicContact CE1-CE1 3.83Å; Y248-Y256 AromaticContact CZ-CE1 3.96Å; Y248-Y256 WeakPolarHBondContact OH-CE1 3.42Å; A250-Y256 HydrophobicContact CB-CE2 3.92Å; P251-Y256 WeakPolarHBondContact CD-OH 3.15Å; V252-Y256 WeakPolarHBondContact CG2-OH 3.26Å; V252-Y256 PolarHBondContact N-OH 2.87Å; V252-Y256 PolarHBondContact O-OH 3Å; G254-Y256 VanDerWaalsContact O-CD2 3.26Å; G254-Y256 WeakPolarHBondContact O-CD2 3.29Å; Y256-L258 PolarHBondContact O-N 3.48Å; Y256-I317 WeakPolarHBondContact O-CA 3.3Å; Y256-L318 PolarHBondContact N-O 2.83Å; Y256-L318 PolarHBondContact O-N 2.9Å; Y256-L320 HydrophobicContact CD2-CB 3.65Å; Y256-L320 HydrophobicContact CD2-CD1 3.65Å; Y256-L320 HydrophobicContact CD2-CG 3.73Å; Y256-L320 HydrophobicContact CE2-CB 3.72Å; Y256-L320 HydrophobicContact CE2-CD1 4.15Å; Y256-L320 HydrophobicContact CE2-CG 4.27Å; Y256-L320 HydrophobicContact CG-CD1 3.87Å; Y256-L320 HydrophobicContact CG-CG 4.34Å; Y256-V349 CarbonylContact C-O 3.5Å; Y256-V349 WeakPolarHBondContact CA-O 3.46Å; Y256-L350 HydrophobicContact CD1-CB 4Å; Y256-L350 HydrophobicContact CD1-CD1 4.12Å; Y256-L350 HydrophobicContact CD2-CD1 4.23Å; Y256-L350 HydrophobicContact CE1-CB 3.71Å; Y256-L350 HydrophobicContact CE1-CD1 3.67Å; Y256-L350 HydrophobicContact CE1-CG 4.22Å; Y256-L350 HydrophobicContact CE2-CD1 3.81Å; Y256-L350 HydrophobicContact CG-CD1 4.39Å |
| 257 | A | 95.9 | Very high | 93.6 | Very high | 31 Ų | 31 | 36.2 Ų | 36.2 | 26% | 0.256 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 119 | 165.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | A348 V349 L351 | A257-A348 CarbonylContact O-C 3.59Å; A257-A348 WeakPolarHBondContact O-CA 2.98Å; A257-V349 PolarHBondContact N-O 2.85Å; A257-V349 PolarHBondContact O-N 2.8Å; A257-L351 HydrophobicContact CB-CD1 4.05Å; A257-L351 HydrophobicContact CB-CD2 4.04Å; A257-L351 HydrophobicContact CB-CG 4.05Å |
| 258 | L | 96.1 | Very high | 92.2 | Very high | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.016 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 137.3 | -177 | -72 | 148 | 0 | 0 | 0 | 109.4 | Y256 I285 L297 G316 L318 F346 S347 A348 | Y256-L258 PolarHBondContact O-N 3.48Å; L258-I285 HydrophobicContact CB-CD1 4.06Å; L258-I285 HydrophobicContact CD1-CG2 4.31Å; L258-I285 HydrophobicContact CD2-CG2 4.47Å; L258-L297 HydrophobicContact CB-CD1 3.99Å; L258-G316 PolarHBondContact N-O 3Å; L258-G316 PolarHBondContact O-N 2.74Å; L258-G316 VanDerWaalsContact O-O 3.14Å; L258-L318 HydrophobicContact CD1-CB 3.76Å; L258-L318 HydrophobicContact CD1-CD1 3.72Å; L258-L318 HydrophobicContact CD1-CG 3.9Å; L258-F346 HydrophobicContact CD2-CE2 3.76Å; L258-F346 HydrophobicContact CD2-CZ 3.79Å; L258-S347 WeakPolarHBondContact CA-O 3.21Å; L258-A348 HydrophobicContact CD2-CB 3.47Å; L258-A348 VanDerWaalsContact CD2-CB 3.47Å; L258-A348 HydrophobicContact CG-CB 4.19Å |
| 259 | A | 96.7 | Very high | 90.3 | Very high | 19 Ų | 19 | 42 Ų | 42 | 16% | 0.157 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 131.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | V314 N315 F346 S347 | A259-V314 WeakPolarHBondContact CA-O 3.35Å; A259-N315 WeakPolarHBondContact CB-OD1 3.28Å; A259-F346 CarbonylContact O-C 3.51Å; A259-F346 WeakPolarHBondContact O-CA 3.5Å; A259-F346 WeakPolarHBondContact O-CD2 3.32Å; A259-S347 PolarHBondContact N-O 2.71Å; A259-S347 PolarHBondContact O-N 2.93Å; A259-S347 PolarHBondContact O-OG 2.85Å |
| 260 | A | 96.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 133.5 | 173 | 0 | 0 | 0 | 0 | 0 | 110 | L283 I285 S313 V314 V328 H345 F346 | A260-L283 HydrophobicContact CB-CD2 4.38Å; A260-I285 HydrophobicContact CB-CD1 3.95Å; A260-I285 HydrophobicContact CB-CG1 4.35Å; A260-S313 CarbonylContact O-C 3.57Å; A260-S313 VanDerWaalsContact O-CA 3.23Å; A260-S313 WeakPolarHBondContact O-CA 3.22Å; A260-V314 HydrophobicContact CB-CG1 4.09Å; A260-V314 PolarHBondContact N-O 3.37Å; A260-V314 PolarHBondContact O-N 2.97Å; A260-V328 HydrophobicContact CB-CG1 4.01Å; A260-V328 HydrophobicContact CB-CG2 4.01Å; A260-H345 WeakPolarHBondContact CA-O 3.38Å; A260-F346 HydrophobicContact CB-CD2 4.11Å |
| 261 | T | 96.7 | Very high | 86.7 | Confident | 21 Ų | 21 | 47.9 Ų | 47.9 | 13% | 0.129 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 118.6 | 177.6 | -53 | 0 | 0 | 0 | 0 | 108.6 | T311 S344 H345 | T261-T311 HydrophobicContact CG2-CG2 3.36Å; T261-S344 CarbonylContact O-C 3.59Å; T261-S344 WeakPolarHBondContact O-CA 3.4Å; T261-H345 WeakPolarHBondContact CB-CE1 3.38Å; T261-H345 VanDerWaalsContact CB-NE2 3.31Å; T261-H345 WeakPolarHBondContact CB-NE2 3.31Å; T261-H345 PolarHBondContact N-O 3.46Å; T261-H345 PolarHBondContact O-N 3.31Å; T261-H345 PolarHBondContact OG1-CE1 2.8Å; T261-H345 VanDerWaalsContact OG1-CE1 3.32Å; T261-H345 PolarHBondContact OG1-NE2 3.33Å |
| 262 | L | 96.9 | Very high | 84.8 | Confident | 2 Ų | 2 | 58.2 Ų | 58.2 | 1% | 0.01 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 129.8 | -176.7 | -53.9 | -175.1 | 0 | 0 | 0 | 110.3 | L223 V264 L283 T311 I312 L330 V340 | L223-L262 HydrophobicContact CD1-CD1 3.48Å; L223-L262 VanDerWaalsContact CD1-CD1 3.48Å; L223-L262 HydrophobicContact CD1-CD2 3.48Å; L223-L262 VanDerWaalsContact CD1-CD2 3.48Å; L223-L262 HydrophobicContact CD1-CG 4.14Å; L262-V264 HydrophobicContact CB-CG2 4.26Å; L262-L283 HydrophobicContact CD1-CD1 3.43Å; L262-L283 VanDerWaalsContact CD1-CD1 3.43Å; L262-L283 HydrophobicContact CD1-CD2 4.28Å; L262-L283 HydrophobicContact CD1-CG 4.39Å; L262-L283 HydrophobicContact CG-CD1 3.97Å; L262-L283 HydrophobicContact CG-CD2 4.08Å; L262-T311 VanDerWaalsContact O-CA 3.3Å; L262-T311 WeakPolarHBondContact O-CA 3.46Å; L262-I312 HydrophobicContact CB-CG2 3.94Å; L262-I312 PolarHBondContact N-O 2.91Å; L262-I312 PolarHBondContact O-N 2.86Å; L262-L330 HydrophobicContact CD1-CB 4.35Å; L262-L330 HydrophobicContact CD1-CD1 4.21Å; L262-L330 HydrophobicContact CD1-CD2 4.21Å; L262-V340 HydrophobicContact CB-CG1 4.24Å; L262-V340 HydrophobicContact CD1-CG1 4.48Å; L262-V340 HydrophobicContact CD2-CG1 4.2Å |
| 263 | H | 95.9 | Very high | 83.2 | Confident | 62 Ų | 62 | 58.6 Ų | 58.6 | 29% | 0.287 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 118.3 | 167.7 | -58.2 | -56.7 | 0 | 0 | 0 | 107.7 | T311 V340 C341 S344 | H263-T311 PolarHBondContact ND1-OG1 2.87Å; H263-V340 CarbonylContact O-C 3.51Å; H263-C341 HydrophobicContact CB-CB 4.05Å; H263-C341 WeakPolarHBondContact O-CB 3.39Å; H263-C341 PolarHBondContact O-N 3.04Å; H263-S344 PolarHBondContact N-OG 3.27Å |
| 264 | V | 94.9 | Very high | 81.5 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 127.7 | -174.4 | -179.8 | 0 | 0 | 0 | 0 | 108.6 | L262 L281 L309 F310 I312 L330 L338 T339 | L262-V264 HydrophobicContact CB-CG2 4.26Å; V264-L281 HydrophobicContact CG1-CD1 4.36Å; V264-L309 WeakPolarHBondContact O-CA 3.45Å; V264-F310 HydrophobicContact CB-CD2 4.3Å; V264-F310 HydrophobicContact CB-CE1 4.12Å; V264-F310 HydrophobicContact CB-CE2 3.77Å; V264-F310 HydrophobicContact CB-CZ 3.67Å; V264-F310 HydrophobicContact CG1-CE1 3.93Å; V264-F310 HydrophobicContact CG1-CE2 4.11Å; V264-F310 HydrophobicContact CG1-CZ 3.52Å; V264-F310 HydrophobicContact CG2-CE2 4.26Å; V264-F310 HydrophobicContact CG2-CZ 4.49Å; V264-F310 PolarHBondContact N-O 2.85Å; V264-F310 PolarHBondContact O-N 2.97Å; V264-I312 HydrophobicContact CG2-CG2 4.15Å; V264-L330 HydrophobicContact CG2-CD2 4.42Å; V264-L338 HydrophobicContact CG1-CB 4.02Å; V264-L338 HydrophobicContact CG1-CD1 3.77Å; V264-L338 HydrophobicContact CG1-CD2 4.26Å; V264-L338 HydrophobicContact CG1-CG 4.24Å; V264-T339 WeakPolarHBondContact CA-O 3.28Å |
| 265 | A | 92.5 | Very high | 80 | Confident | 21 Ų | 21 | 64.1 Ų | 64.1 | 17% | 0.174 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 131.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | E308 T339 | A265-E308 CarbonylContact C-O 3.58Å; A265-E308 VanDerWaalsContact CA-O 3.28Å; A265-E308 WeakPolarHBondContact CA-O 3.45Å; A265-T339 PolarHBondContact N-O 2.76Å; A265-T339 PolarHBondContact O-N 3.48Å; A265-T339 PolarHBondContact O-OG1 2.9Å; A265-T339 VanDerWaalsContact O-OG1 3.04Å |
| 266 | L | 87.9 | Confident | 78.6 | Confident | 21 Ų | 21 | 67.6 Ų | 67.6 | 11% | 0.11 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 110.2 | 177.8 | -155.7 | 69 | 0 | 0 | 0 | 108.6 | E268 L303 E308 L338 | L266-E268 VanDerWaalsContact C-N 3.29Å; L266-E268 PolarHBondContact O-N 2.96Å; L266-L303 HydrophobicContact CD1-CD2 4Å; L266-L303 HydrophobicContact CD2-CD2 4.23Å; L266-E308 PolarHBondContact N-O 2.65Å; L266-L338 HydrophobicContact CD1-CB 4.1Å |
| 267 | R | 72.8 | Confident | 77.1 | Confident | 176 Ų | 176 | 73.2 Ų | 73.2 | 66% | 0.664 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -74.7 | -20.4 | -168.4 | -142.8 | -172.3 | -175.8 | 173.7 | 3.2 | 113.8 | T339 | R267-T339 HydrophobicContact CG-CG2 4.46Š|
| 268 | E | 64.1 | Low | 76 | Confident | 71 Ų | 71 | 81.9 Ų | 81.9 | 33% | 0.332 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -131.4 | 123.2 | 175.3 | -67.3 | -170.6 | 160.2 | 0 | 0 | 109.2 | L266 R271 | L266-E268 VanDerWaalsContact C-N 3.29Å; L266-E268 PolarHBondContact O-N 2.96Å; E268-R271 VanDerWaalsContact CD-NH1 3.26Å; E268-R271 IonicContact OE1-CZ 3.41Å; E268-R271 IonicContact OE1-NH1 3.39Å; E268-R271 PolarHBondContact OE1-NH1 2.75Å; E268-R271 IonicContact OE1-NH2 3.62Å; E268-R271 IonicContact OE2-NH1 2.67Å; E268-R271 PolarHBondContact OE2-NH1 2.86Å |
| 269 | P | 56.6 | Low | 75.6 | Confident | 109 Ų | 109 | 82.7 Ų | 82.7 | 71% | 0.708 | 40% | 0.401 | S | S | * | . | trans | -57.5 | 135 | 157.6 | 25.4 | -30.7 | 0 | 0 | 0 | 106.5 | R271 | P269-R271 PolarHBondContact O-N 2.94Š| ||
| 270 | P | 56.5 | Low | 75.3 | Confident | 65 Ų | 65 | 83.8 Ų | 83.8 | 42% | 0.422 | 40% | 0.403 | S | S | . | . | trans | -51.2 | 110.8 | -172.2 | 17.3 | -29.8 | 0 | 0 | 0 | 109.5 | R272 G273 | P270-R272 VanDerWaalsContact C-N 3.32Å; P270-R272 PolarHBondContact O-N 2.86Å; P270-G273 WeakPolarHBondContact CG-O 3.24Å | ||
| 271 | R | 57.2 | Low | 75.1 | Confident | 198 Ų | 198 | 83.8 Ų | 83.8 | 75% | 0.747 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | 99 | 177.7 | -75.4 | -163.9 | 176.2 | 112.9 | 0.8 | 107.3 | E268 P269 | E268-R271 VanDerWaalsContact CD-NH1 3.26Å; E268-R271 IonicContact OE1-CZ 3.41Å; E268-R271 IonicContact OE1-NH1 3.39Å; E268-R271 PolarHBondContact OE1-NH1 2.75Å; E268-R271 IonicContact OE1-NH2 3.62Å; E268-R271 IonicContact OE2-NH1 2.67Å; E268-R271 PolarHBondContact OE2-NH1 2.86Å; P269-R271 PolarHBondContact O-N 2.94Å |
| 272 | R | 52.7 | Low | 75 | Confident | 255 Ų | 255 | 86.4 Ų | 86.4 | 96% | 0.962 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.2 | 90.1 | -177.3 | -74.5 | -178.5 | 171.5 | 173.9 | -2.2 | 115.2 | P270 | P270-R272 VanDerWaalsContact C-N 3.32Å; P270-R272 PolarHBondContact O-N 2.86Å |
| 273 | G | 58.8 | Low | 75 | Confident | 40 Ų | 40 | 86.3 Ų | 86.3 | 41% | 0.412 | 41% | 0.41 | S | S | . | . | S | Bend | trans | 144.4 | 152.6 | 155.9 | 0 | 0 | 0 | 0 | 0 | 112 | P270 | P270-G273 WeakPolarHBondContact CG-O 3.24Š|
| 274 | P | 59.5 | Low | 75 | Confident | 117 Ų | 117 | 83.9 Ų | 83.9 | 76% | 0.76 | 40% | 0.4 | S | S | * | . | P | Polyproline II helix | trans | -55.6 | 142.8 | 166.1 | -16 | 28.1 | 0 | 0 | 0 | 109.4 | R276 | P274-R276 PolarHBondContact O-N 3.44Š|
| 275 | P | 61.2 | Low | 75.1 | Confident | 34 Ų | 34 | 83.9 Ų | 83.9 | 22% | 0.221 | 40% | 0.4 | C | S | . | . | P | Polyproline II helix | trans | -48.7 | 135.1 | 166.2 | 19.9 | -30.5 | 0 | 0 | 0 | 108.8 | E304 | P275-E304 WeakPolarHBondContact CG-O 3.13Š|
| 276 | R | 66.4 | Low | 75.2 | Confident | 174 Ų | 174 | 82.9 Ų | 82.9 | 66% | 0.657 | 39% | 0.391 | S | S | * | . | P | Polyproline II helix | trans | -67.4 | 149 | -176.5 | -64.8 | -176.1 | -178.4 | -155.5 | 0.5 | 107.7 | P274 R278 D279 | P274-R276 PolarHBondContact O-N 3.44Å; R276-R278 PolarHBondContact O-N 3.26Å; R276-D279 PolarHBondContact N-OD2 3.27Å; R276-D279 PolarHBondContact O-N 3.25Å |
| 277 | P | 63 | Low | 75.5 | Confident | 119 Ų | 119 | 82.9 Ų | 82.9 | 77% | 0.773 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | 2 | 174.9 | -24.1 | 32.5 | 0 | 0 | 0 | 115.5 | ||
| 278 | R | 72.3 | Confident | 76.5 | Confident | 212 Ų | 212 | 77.9 Ų | 77.9 | 80% | 0.8 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.9 | -2 | -179.1 | -60.8 | -171.9 | 179.1 | -155.1 | -0 | 113.1 | R276 H280 | R276-R278 PolarHBondContact O-N 3.26Å; R278-H280 PolarHBondContact O-N 2.75Å; R278-H280 PolarHBondContact O-ND1 3.09Å |
| 279 | D | 87.8 | Confident | 77.7 | Confident | 20 Ų | 20 | 77.1 Ų | 77.1 | 11% | 0.107 | 38% | 0.378 | C | S | . | . | trans | -74.7 | 112 | 178 | -67.1 | -24.5 | 0 | 0 | 0 | 108.5 | R276 L303 | R276-D279 PolarHBondContact N-OD2 3.27Å; R276-D279 PolarHBondContact O-N 3.25Å; D279-L303 HydrophobicContact CB-CB 4.12Å; D279-L303 PolarHBondContact O-N 2.99Å | ||
| 280 | H | 91 | Very high | 79.4 | Confident | 43 Ų | 43 | 79 Ų | 79 | 20% | 0.199 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 157.2 | 179.6 | 64 | -74.6 | 0 | 0 | 0 | 110.1 | R278 R282 I300 M301 A333 | R278-H280 PolarHBondContact O-N 2.75Å; R278-H280 PolarHBondContact O-ND1 3.09Å; H280-R282 PolarHBondContact CD2-NE 2.95Å; H280-R282 PolarHBondContact NE2-NE 2.95Å; H280-R282 PolarHBondContact NE2-NH2 2.81Å; H280-I300 HydrophobicContact CB-CG2 4.18Å; H280-M301 CarbonylContact C-O 3.53Å; H280-M301 WeakPolarHBondContact CA-O 3.31Å; H280-M301 WeakPolarHBondContact CB-O 3.34Å; H280-A333 VanDerWaalsContact CE1-CB 3.47Å; H280-A333 WeakPolarHBondContact CE1-CB 3.31Å; H280-A333 VanDerWaalsContact O-CB 3.31Å; H280-A333 WeakPolarHBondContact O-CB 3.38Å; H280-A333 PolarHBondContact O-N 2.81Å; H280-A333 VanDerWaalsContact O-N 3.15Å |
| 281 | L | 93.4 | Very high | 80.9 | Confident | 0 Ų | 0 | 77.8 Ų | 77.8 | 0% | 0 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 142 | 170.2 | -59 | -176.5 | 0 | 0 | 0 | 108.9 | V264 I300 M301 L303 F310 I312 L330 D331 N332 L338 | V264-L281 HydrophobicContact CG1-CD1 4.36Å; L281-I300 CarbonylContact O-C 3.54Å; L281-I300 WeakPolarHBondContact O-CA 3.38Å; L281-M301 PolarHBondContact N-O 2.92Å; L281-M301 PolarHBondContact O-N 3.2Å; L281-L303 HydrophobicContact CD1-CD1 4.36Å; L281-F310 HydrophobicContact CD1-CE2 3.72Å; L281-F310 HydrophobicContact CD1-CZ 3.5Å; L281-F310 VanDerWaalsContact CD1-CZ 3.5Å; L281-I312 HydrophobicContact CB-CD1 4.28Å; L281-L330 HydrophobicContact CB-CD1 4.36Å; L281-D331 WeakPolarHBondContact CA-O 3.49Å; L281-N332 HydrophobicContact CD2-CB 4.1Å; L281-N332 WeakPolarHBondContact CD2-OD1 3.32Å; L281-L338 HydrophobicContact CD1-CD2 3.73Å; L281-L338 HydrophobicContact CD2-CD2 3.36Å; L281-L338 HydrophobicContact CG-CD2 4.22Å |
| 282 | R | 94.3 | Very high | 82.1 | Confident | 75 Ų | 75 | 74.5 Ų | 74.5 | 28% | 0.283 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 115.2 | 170.9 | -45.3 | 175.7 | 170.3 | -127 | -0.9 | 109.1 | H280 L284 E298 A299 I300 D331 | H280-R282 PolarHBondContact CD2-NE 2.95Å; H280-R282 PolarHBondContact NE2-NE 2.95Å; H280-R282 PolarHBondContact NE2-NH2 2.81Å; R282-L284 HydrophobicContact CB-CD1 4.28Å; R282-L284 HydrophobicContact CB-CG 4.33Å; R282-E298 WeakPolarHBondContact CD-OE1 3.11Å; R282-E298 IonicContact CZ-OE1 3.57Å; R282-E298 IonicContact NE-OE1 3.79Å; R282-E298 IonicContact NH1-OE1 2.7Å; R282-E298 PolarHBondContact NH1-OE1 3.16Å; R282-A299 CarbonylContact C-O 3.52Å; R282-A299 WeakPolarHBondContact CA-O 3.37Å; R282-I300 HydrophobicContact CG-CG1 4.2Å; R282-D331 HydrophobicContact CB-CB 3.92Å; R282-D331 HydrophobicContact CG-CB 4.35Å; R282-D331 PolarHBondContact N-O 2.69Å; R282-D331 PolarHBondContact O-N 3.17Å |
| 283 | L | 96.3 | Very high | 82.9 | Confident | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 123.4 | 169.1 | 175.1 | 55.5 | 0 | 0 | 0 | 108.3 | A260 L262 E298 A299 I312 V314 V328 F329 L330 | A260-L283 HydrophobicContact CB-CD2 4.38Å; L262-L283 HydrophobicContact CD1-CD1 3.43Å; L262-L283 VanDerWaalsContact CD1-CD1 3.43Å; L262-L283 HydrophobicContact CD1-CD2 4.28Å; L262-L283 HydrophobicContact CD1-CG 4.39Å; L262-L283 HydrophobicContact CG-CD1 3.97Å; L262-L283 HydrophobicContact CG-CD2 4.08Å; L283-E298 CarbonylContact O-C 3.47Å; L283-E298 WeakPolarHBondContact O-CA 3.39Å; L283-A299 PolarHBondContact N-O 2.93Å; L283-A299 PolarHBondContact O-N 2.89Å; L283-I312 HydrophobicContact CB-CD1 3.74Å; L283-I312 HydrophobicContact CB-CG1 3.97Å; L283-I312 HydrophobicContact CB-CG2 4.44Å; L283-I312 HydrophobicContact CD2-CG1 4.31Å; L283-I312 HydrophobicContact CD2-CG2 4.26Å; L283-V314 HydrophobicContact CD2-CB 4.15Å; L283-V314 HydrophobicContact CD2-CG1 3.79Å; L283-V314 HydrophobicContact CG-CB 4.18Å; L283-V314 HydrophobicContact CG-CG1 3.69Å; L283-V328 HydrophobicContact CD1-CG1 3.52Å; L283-F329 WeakPolarHBondContact CD1-O 3.23Å; L283-L330 HydrophobicContact CB-CD1 4.46Å |
| 284 | L | 95.9 | Very high | 83.6 | Confident | 12 Ų | 12 | 78.6 Ų | 78.6 | 6% | 0.063 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 139.7 | -171.9 | -67.2 | 154.5 | 0 | 0 | 0 | 110.6 | L220 R282 C291 L297 E298 V328 F329 D331 | L220-L284 HydrophobicContact CD1-CD1 4.17Å; R282-L284 HydrophobicContact CB-CD1 4.28Å; R282-L284 HydrophobicContact CB-CG 4.33Å; L284-C291 HydrophobicContact CD1-CB 4.34Å; L284-L297 CarbonylContact C-O 3.58Å; L284-L297 WeakPolarHBondContact CA-O 3.43Å; L284-E298 HydrophobicContact CD2-CB 3.7Å; L284-E298 HydrophobicContact CD2-CG 3.63Å; L284-V328 CarbonylContact O-C 3.45Å; L284-V328 WeakPolarHBondContact O-CA 3.47Å; L284-F329 HydrophobicContact CB-CB 4.17Å; L284-F329 PolarHBondContact N-O 2.84Å; L284-F329 PolarHBondContact O-N 3.15Å; L284-D331 HydrophobicContact CD1-CB 4.36Å |
| 285 | I | 96.3 | Very high | 84.6 | Confident | 0 Ų | 0 | 75.3 Ų | 75.3 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 113.8 | 165.1 | -58.2 | 176.5 | 0 | 0 | 0 | 107.1 | L258 A260 S296 L297 V314 L318 A326 S327 V328 F346 | L258-I285 HydrophobicContact CB-CD1 4.06Å; L258-I285 HydrophobicContact CD1-CG2 4.31Å; L258-I285 HydrophobicContact CD2-CG2 4.47Å; A260-I285 HydrophobicContact CB-CD1 3.95Å; A260-I285 HydrophobicContact CB-CG1 4.35Å; I285-S296 CarbonylContact O-C 3.59Å; I285-S296 WeakPolarHBondContact O-CA 3Å; I285-S296 VanDerWaalsContact O-CB 3.24Å; I285-S296 WeakPolarHBondContact O-CB 3.37Å; I285-L297 HydrophobicContact CB-CB 4.2Å; I285-L297 HydrophobicContact CB-CD1 4.46Å; I285-L297 HydrophobicContact CD1-CD1 4.21Å; I285-L297 PolarHBondContact N-O 3.27Å; I285-L297 PolarHBondContact O-N 3.43Å; I285-V314 HydrophobicContact CD1-CG1 3.64Å; I285-V314 HydrophobicContact CG1-CG1 3.77Å; I285-L318 HydrophobicContact CG2-CD1 4.32Å; I285-A326 HydrophobicContact CG2-CB 4.35Å; I285-S327 WeakPolarHBondContact CA-O 3.45Å; I285-V328 HydrophobicContact CG1-CG2 4.37Å; I285-F346 HydrophobicContact CD1-CE2 4.14Å |
| 286 | C | 94.7 | Very high | 86 | Confident | 0 Ų | 0 | 74.7 Ų | 74.7 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 139.5 | -167.9 | -50.3 | 0 | 0 | 0 | 0 | 112.2 | C291 A326 S327 F329 | C286-C291 HydrophobicContact CB-CB 4.09Å; C286-C291 WeakPolarHBondContact CB-SG 3.36Å; C286-C291 WeakPolarHBondContact SG-CA 3.46Å; C286-C291 WeakPolarHBondContact SG-CB 3.39Å; C286-C291 CovalentContact SG-SG 2.03Å; C286-C291 PolarHBondContact SG-SG 2.83Å; C286-A326 WeakPolarHBondContact O-CA 3.43Å; C286-S327 PolarHBondContact N-O 3.08Å; C286-S327 PolarHBondContact O-N 3.3Å; C286-F329 HydrophobicContact CB-CD2 3.96Å; C286-F329 HydrophobicContact CB-CE2 3.91Å |
| 287 | I | 94.9 | Very high | 87.3 | Confident | 20 Ų | 20 | 67.6 Ų | 67.6 | 10% | 0.103 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 123.2 | 172.9 | -55.1 | 174 | 0 | 0 | 0 | 108.4 | S289 R290 T295 L318 L320 Q324 W325 | I287-S289 VanDerWaalsContact C-N 3.3Å; I287-S289 PolarHBondContact O-N 3.04Å; I287-R290 WeakPolarHBondContact O-CB 3.48Å; I287-R290 PolarHBondContact O-N 2.99Å; I287-T295 WeakPolarHBondContact CG1-O 3.43Å; I287-T295 PolarHBondContact N-O 2.88Å; I287-L318 HydrophobicContact CD1-CD1 4.34Å; I287-L318 HydrophobicContact CG1-CD1 4.08Å; I287-L320 HydrophobicContact CD1-CD2 3.78Å; I287-L320 HydrophobicContact CG1-CD2 3.65Å; I287-L320 HydrophobicContact CG2-CD2 4.29Å; I287-Q324 HydrophobicContact CG2-CB 4.24Å; I287-Q324 HydrophobicContact CG2-CG 4.48Å; I287-W325 CarbonylContact C-O 3.56Å; I287-W325 WeakPolarHBondContact CA-O 3.44Å |
| 288 | Q | 92.9 | Very high | 88.8 | Confident | 72 Ų | 72 | 65.7 Ų | 65.7 | 34% | 0.336 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 38.5 | 178.3 | -60.6 | 179.3 | -24.2 | 0 | 0 | 114.6 | R290 W325 | Q288-R290 PolarHBondContact O-N 2.86Å; Q288-R290 VanDerWaalsContact O-N 3.08Å; Q288-W325 HydrophobicContact CB-CZ2 4.34Å; Q288-W325 PolarHBondContact N-O 3.01Å |
| 289 | S | 90.9 | Very high | 89.9 | Confident | 54 Ų | 54 | 56.6 Ų | 56.6 | 38% | 0.378 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | 14.5 | -170.6 | -59.7 | 0 | 0 | 0 | 0 | 115.4 | I287 C291 W325 F329 | I287-S289 VanDerWaalsContact C-N 3.3Å; I287-S289 PolarHBondContact O-N 3.04Å; S289-C291 PolarHBondContact O-N 2.83Å; S289-W325 WeakPolarHBondContact OG-CH2 3.41Å; S289-W325 WeakPolarHBondContact OG-CZ3 3.3Å; S289-F329 WeakPolarHBondContact OG-CZ 3.32Å |
| 290 | R | 91 | Very high | 90.2 | Very high | 149 Ų | 149 | 60.2 Ų | 60.2 | 56% | 0.562 | 29% | 0.29 | S | S | * | . | B | Isolated β-bridge | trans | -92.8 | 85.8 | 177.8 | -59.8 | -179.9 | -176.3 | -156.7 | 0.6 | 109.7 | I287 Q288 Q292 T295 | I287-R290 WeakPolarHBondContact O-CB 3.48Å; I287-R290 PolarHBondContact O-N 2.99Å; Q288-R290 PolarHBondContact O-N 2.86Å; Q288-R290 VanDerWaalsContact O-N 3.08Å; R290-Q292 PolarHBondContact O-N 2.95Å; R290-T295 PolarHBondContact O-OG1 2.8Å |
| 291 | C | 88.8 | Confident | 90.2 | Very high | 40 Ų | 40 | 60.9 Ų | 60.9 | 27% | 0.27 | 29% | 0.294 | S | S | . | . | trans | -80.5 | 40.5 | 178 | -55.5 | 0 | 0 | 0 | 0 | 113.1 | L284 C286 S289 | L284-C291 HydrophobicContact CD1-CB 4.34Å; C286-C291 HydrophobicContact CB-CB 4.09Å; C286-C291 WeakPolarHBondContact CB-SG 3.36Å; C286-C291 WeakPolarHBondContact SG-CA 3.46Å; C286-C291 WeakPolarHBondContact SG-CB 3.39Å; C286-C291 CovalentContact SG-SG 2.03Å; C286-C291 PolarHBondContact SG-SG 2.83Å; S289-C291 PolarHBondContact O-N 2.83Å | ||
| 292 | Q | 82.4 | Confident | 90 | Very high | 128 Ų | 128 | 63.4 Ų | 63.4 | 60% | 0.598 | 32% | 0.32 | S | S | * | . | trans | -82.4 | 157.4 | 177.3 | -63.6 | 169.4 | 14 | 0 | 0 | 109.8 | R290 N294 T295 S296 | R290-Q292 PolarHBondContact O-N 2.95Å; Q292-N294 PolarHBondContact O-N 2.82Å; Q292-T295 PolarHBondContact O-N 2.84Å; Q292-T295 PolarHBondContact O-OG1 2.91Å; Q292-S296 PolarHBondContact O-OG 3.03Å | ||
| 293 | R | 69.7 | Low | 89.6 | Confident | 217 Ų | 217 | 60.1 Ų | 60.1 | 82% | 0.819 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | 134.4 | 172.6 | -68 | -175.5 | -176.8 | -179.5 | 1.7 | 108.8 | ||
| 294 | N | 72.5 | Confident | 88.7 | Confident | 164 Ų | 164 | 65.8 Ų | 65.8 | 88% | 0.877 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.6 | -5.4 | -178.4 | -45.1 | -29 | 0 | 0 | 0 | 116.8 | Q292 | Q292-N294 PolarHBondContact O-N 2.82Š|
| 295 | T | 81.1 | Confident | 87.5 | Confident | 49 Ų | 49 | 72.7 Ų | 72.7 | 30% | 0.301 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -120 | 10.8 | 175.2 | 62.6 | 0 | 0 | 0 | 0 | 113 | I287 R290 Q292 | I287-T295 WeakPolarHBondContact CG1-O 3.43Å; I287-T295 PolarHBondContact N-O 2.88Å; R290-T295 PolarHBondContact O-OG1 2.8Å; Q292-T295 PolarHBondContact O-N 2.84Å; Q292-T295 PolarHBondContact O-OG1 2.91Å |
| 296 | S | 90.9 | Very high | 86.5 | Confident | 20 Ų | 20 | 74.4 Ų | 74.4 | 14% | 0.14 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 152.1 | -179.2 | 55.6 | 0 | 0 | 0 | 0 | 111.3 | I285 Q292 | I285-S296 CarbonylContact O-C 3.59Å; I285-S296 WeakPolarHBondContact O-CA 3Å; I285-S296 VanDerWaalsContact O-CB 3.24Å; I285-S296 WeakPolarHBondContact O-CB 3.37Å; Q292-S296 PolarHBondContact O-OG 3.03Å |
| 297 | L | 93.7 | Very high | 85.9 | Confident | 25 Ų | 25 | 77.9 Ų | 77.9 | 13% | 0.131 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 137.3 | 165.1 | -58.6 | 173.3 | 0 | 0 | 0 | 108 | L258 L284 I285 V314 L318 | L258-L297 HydrophobicContact CB-CD1 3.99Å; L284-L297 CarbonylContact C-O 3.58Å; L284-L297 WeakPolarHBondContact CA-O 3.43Å; I285-L297 HydrophobicContact CB-CB 4.2Å; I285-L297 HydrophobicContact CB-CD1 4.46Å; I285-L297 HydrophobicContact CD1-CD1 4.21Å; I285-L297 PolarHBondContact N-O 3.27Å; I285-L297 PolarHBondContact O-N 3.43Å; L297-V314 HydrophobicContact CB-CG2 3.73Å; L297-L318 HydrophobicContact CD1-CD1 4.29Å; L297-L318 HydrophobicContact CD1-CG 4.03Å; L297-L318 HydrophobicContact CD2-CD2 3.79Å; L297-L318 HydrophobicContact CD2-CG 4.09Å; L297-L318 HydrophobicContact CG-CD1 3.98Å; L297-L318 HydrophobicContact CG-CD2 3.84Å; L297-L318 HydrophobicContact CG-CG 3.75Å |
| 298 | E | 94.7 | Very high | 85.4 | Confident | 79 Ų | 79 | 84.4 Ų | 84.4 | 37% | 0.369 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 134.4 | -177.1 | -176.2 | 175 | -163.9 | 0 | 0 | 110.3 | R282 L283 L284 I300 | R282-E298 WeakPolarHBondContact CD-OE1 3.11Å; R282-E298 IonicContact CZ-OE1 3.57Å; R282-E298 IonicContact NE-OE1 3.79Å; R282-E298 IonicContact NH1-OE1 2.7Å; R282-E298 PolarHBondContact NH1-OE1 3.16Å; L283-E298 CarbonylContact O-C 3.47Å; L283-E298 WeakPolarHBondContact O-CA 3.39Å; L284-E298 HydrophobicContact CD2-CB 3.7Å; L284-E298 HydrophobicContact CD2-CG 3.63Å; E298-I300 HydrophobicContact CG-CD1 4.5Å; E298-I300 HydrophobicContact CG-CG1 3.97Å; E298-I300 WeakPolarHBondContact OE1-CD1 3.21Å |
| 299 | A | 94.3 | Very high | 85.3 | Confident | 21 Ų | 21 | 85.8 Ų | 85.8 | 17% | 0.174 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 129.8 | 165 | 0 | 0 | 0 | 0 | 0 | 109 | R282 L283 S313 V314 | R282-A299 CarbonylContact C-O 3.52Å; R282-A299 WeakPolarHBondContact CA-O 3.37Å; L283-A299 PolarHBondContact N-O 2.93Å; L283-A299 PolarHBondContact O-N 2.89Å; A299-S313 WeakPolarHBondContact CB-O 3.31Å; A299-V314 HydrophobicContact CB-CB 3.78Å; A299-V314 HydrophobicContact CB-CG2 4.04Å |
| 300 | I | 93.5 | Very high | 85.4 | Confident | 97 Ų | 97 | 84.1 Ų | 84.1 | 50% | 0.497 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 134.4 | -179 | -53.3 | -179.4 | 0 | 0 | 0 | 109.1 | H280 L281 R282 E298 | H280-I300 HydrophobicContact CB-CG2 4.18Å; L281-I300 CarbonylContact O-C 3.54Å; L281-I300 WeakPolarHBondContact O-CA 3.38Å; R282-I300 HydrophobicContact CG-CG1 4.2Å; E298-I300 HydrophobicContact CG-CD1 4.5Å; E298-I300 HydrophobicContact CG-CG1 3.97Å; E298-I300 WeakPolarHBondContact OE1-CD1 3.21Å |
| 301 | M | 91.6 | Very high | 85.6 | Confident | 56 Ų | 56 | 80 Ų | 80 | 28% | 0.276 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 128.1 | 177.3 | -177.5 | 170.1 | -76.1 | 0 | 0 | 110.8 | H280 L281 F310 T311 I312 | H280-M301 CarbonylContact C-O 3.53Å; H280-M301 WeakPolarHBondContact CA-O 3.31Å; H280-M301 WeakPolarHBondContact CB-O 3.34Å; L281-M301 PolarHBondContact N-O 2.92Å; L281-M301 PolarHBondContact O-N 3.2Å; M301-F310 HydrophobicContact SD-CD2 3.45Å; M301-F310 WeakPolarHBondContact SD-CD2 3.12Å; M301-F310 HydrophobicContact SD-CE2 3.67Å; M301-T311 VanDerWaalsContact CE-O 3.3Å; M301-T311 WeakPolarHBondContact CE-O 3.47Å; M301-I312 HydrophobicContact CB-CD1 3.67Å; M301-I312 HydrophobicContact CB-CG1 4.24Å; M301-I312 HydrophobicContact CE-CB 3.89Å; M301-I312 HydrophobicContact CE-CG1 4.06Å; M301-I312 HydrophobicContact SD-CB 4.02Å; M301-I312 HydrophobicContact SD-CG1 4.42Å |
| 302 | G | 89.6 | Confident | 85.9 | Confident | 53 Ų | 53 | 78.2 Ų | 78.2 | 55% | 0.546 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 142.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 303 | L | 85.3 | Confident | 86.6 | Confident | 7 Ų | 7 | 74.9 Ų | 74.9 | 4% | 0.037 | 40% | 0.404 | C | S | . | . | trans | -93.8 | -4.7 | -176 | -155 | 70.6 | 0 | 0 | 0 | 113.6 | L266 D279 L281 N305 S306 F310 | L266-L303 HydrophobicContact CD1-CD2 4Å; L266-L303 HydrophobicContact CD2-CD2 4.23Å; D279-L303 HydrophobicContact CB-CB 4.12Å; D279-L303 PolarHBondContact O-N 2.99Å; L281-L303 HydrophobicContact CD1-CD1 4.36Å; L303-N305 VanDerWaalsContact C-N 3.3Å; L303-N305 PolarHBondContact O-N 2.72Å; L303-N305 VanDerWaalsContact O-N 3.16Å; L303-S306 WeakPolarHBondContact CD1-OG 3.33Å; L303-S306 VanDerWaalsContact CG-OG 3.3Å; L303-S306 WeakPolarHBondContact CG-OG 3.14Å; L303-S306 PolarHBondContact O-N 2.92Å; L303-S306 VanDerWaalsContact O-N 3.17Å; L303-S306 PolarHBondContact O-OG 2.99Å; L303-F310 HydrophobicContact CD1-CE1 3.7Å; L303-F310 HydrophobicContact CD1-CE2 4.46Å; L303-F310 HydrophobicContact CD1-CZ 3.54Å | ||
| 304 | E | 78.1 | Confident | 87.8 | Confident | 119 Ų | 119 | 64.9 Ų | 64.9 | 56% | 0.556 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -38.6 | -167.5 | -169.4 | 171.1 | -175.4 | 0 | 0 | 114.4 | P275 | P275-E304 WeakPolarHBondContact CG-O 3.13Š|
| 305 | N | 70.4 | Confident | 89 | Confident | 156 Ų | 156 | 62.3 Ų | 62.3 | 83% | 0.834 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.7 | 24.1 | 179.8 | -65.7 | -23.5 | 0 | 0 | 0 | 112.4 | L303 | L303-N305 VanDerWaalsContact C-N 3.3Å; L303-N305 PolarHBondContact O-N 2.72Å; L303-N305 VanDerWaalsContact O-N 3.16Å |
| 306 | S | 75.9 | Confident | 89.6 | Confident | 36 Ų | 36 | 61.2 Ų | 61.2 | 25% | 0.252 | 35% | 0.351 | S | S | . | . | trans | -70.5 | 136.9 | 179.3 | 62.6 | 0 | 0 | 0 | 0 | 110.8 | L303 | L303-S306 WeakPolarHBondContact CD1-OG 3.33Å; L303-S306 VanDerWaalsContact CG-OG 3.3Å; L303-S306 WeakPolarHBondContact CG-OG 3.14Å; L303-S306 PolarHBondContact O-N 2.92Å; L303-S306 VanDerWaalsContact O-N 3.17Å; L303-S306 PolarHBondContact O-OG 2.99Å | ||
| 307 | S | 81.4 | Confident | 89.8 | Confident | 74 Ų | 74 | 64.9 Ų | 64.9 | 52% | 0.517 | 37% | 0.368 | S | S | . | . | trans | -65.6 | 166.2 | 166.5 | 41.1 | 0 | 0 | 0 | 0 | 110.4 | L309 F310 | S307-L309 PolarHBondContact O-N 3.37Å; S307-L309 VanDerWaalsContact O-N 3.16Å; S307-L309 PolarHBondContact OG-O 3.04Å; S307-F310 WeakPolarHBondContact O-CD1 3.29Å | ||
| 308 | E | 84.8 | Confident | 89.8 | Confident | 157 Ų | 157 | 64.5 Ų | 64.5 | 73% | 0.734 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -53.8 | -35.5 | 175.5 | -174.8 | 179.4 | 179 | 0 | 0 | 112.3 | A265 L266 | A265-E308 CarbonylContact C-O 3.58Å; A265-E308 VanDerWaalsContact CA-O 3.28Å; A265-E308 WeakPolarHBondContact CA-O 3.45Å; L266-E308 PolarHBondContact N-O 2.65Å |
| 309 | L | 90.6 | Very high | 89.8 | Confident | 100 Ų | 100 | 65.8 Ų | 65.8 | 52% | 0.524 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 129.3 | 172.4 | -168.9 | 151.2 | 0 | 0 | 0 | 109.6 | V264 S307 | V264-L309 WeakPolarHBondContact O-CA 3.45Å; S307-L309 PolarHBondContact O-N 3.37Å; S307-L309 VanDerWaalsContact O-N 3.16Å; S307-L309 PolarHBondContact OG-O 3.04Å |
| 310 | F | 92.8 | Very high | 89.8 | Confident | 20 Ų | 20 | 64.8 Ų | 64.8 | 9% | 0.088 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 171.1 | 177.8 | 61.7 | -87.6 | 0 | 0 | 0 | 110.7 | V264 L281 M301 L303 S307 | V264-F310 HydrophobicContact CB-CD2 4.3Å; V264-F310 HydrophobicContact CB-CE1 4.12Å; V264-F310 HydrophobicContact CB-CE2 3.77Å; V264-F310 HydrophobicContact CB-CZ 3.67Å; V264-F310 HydrophobicContact CG1-CE1 3.93Å; V264-F310 HydrophobicContact CG1-CE2 4.11Å; V264-F310 HydrophobicContact CG1-CZ 3.52Å; V264-F310 HydrophobicContact CG2-CE2 4.26Å; V264-F310 HydrophobicContact CG2-CZ 4.49Å; V264-F310 PolarHBondContact N-O 2.85Å; V264-F310 PolarHBondContact O-N 2.97Å; L281-F310 HydrophobicContact CD1-CE2 3.72Å; L281-F310 HydrophobicContact CD1-CZ 3.5Å; L281-F310 VanDerWaalsContact CD1-CZ 3.5Å; M301-F310 HydrophobicContact SD-CD2 3.45Å; M301-F310 WeakPolarHBondContact SD-CD2 3.12Å; M301-F310 HydrophobicContact SD-CE2 3.67Å; L303-F310 HydrophobicContact CD1-CE1 3.7Å; L303-F310 HydrophobicContact CD1-CE2 4.46Å; L303-F310 HydrophobicContact CD1-CZ 3.54Å; S307-F310 WeakPolarHBondContact O-CD1 3.29Å |
| 311 | T | 94.8 | Very high | 89.9 | Confident | 62 Ų | 62 | 65.3 Ų | 65.3 | 38% | 0.38 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 128.6 | -177.2 | -58.7 | 0 | 0 | 0 | 0 | 110.4 | T261 L262 H263 M301 | T261-T311 HydrophobicContact CG2-CG2 3.36Å; L262-T311 VanDerWaalsContact O-CA 3.3Å; L262-T311 WeakPolarHBondContact O-CA 3.46Å; H263-T311 PolarHBondContact ND1-OG1 2.87Å; M301-T311 VanDerWaalsContact CE-O 3.3Å; M301-T311 WeakPolarHBondContact CE-O 3.47Å |
| 312 | I | 95.8 | Very high | 90 | Very high | 2 Ų | 2 | 69.7 Ų | 69.7 | 1% | 0.01 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 134.2 | 172 | -174.1 | 172.6 | 0 | 0 | 0 | 109.1 | L262 V264 L281 L283 M301 | L262-I312 HydrophobicContact CB-CG2 3.94Å; L262-I312 PolarHBondContact N-O 2.91Å; L262-I312 PolarHBondContact O-N 2.86Å; V264-I312 HydrophobicContact CG2-CG2 4.15Å; L281-I312 HydrophobicContact CB-CD1 4.28Å; L283-I312 HydrophobicContact CB-CD1 3.74Å; L283-I312 HydrophobicContact CB-CG1 3.97Å; L283-I312 HydrophobicContact CB-CG2 4.44Å; L283-I312 HydrophobicContact CD2-CG1 4.31Å; L283-I312 HydrophobicContact CD2-CG2 4.26Å; M301-I312 HydrophobicContact CB-CD1 3.67Å; M301-I312 HydrophobicContact CB-CG1 4.24Å; M301-I312 HydrophobicContact CE-CB 3.89Å; M301-I312 HydrophobicContact CE-CG1 4.06Å; M301-I312 HydrophobicContact SD-CB 4.02Å; M301-I312 HydrophobicContact SD-CG1 4.42Å |
| 313 | S | 96.5 | Very high | 90.2 | Very high | 59 Ų | 59 | 68.1 Ų | 68.1 | 41% | 0.413 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 144 | -178.4 | 61.8 | 0 | 0 | 0 | 0 | 111.8 | A260 A299 | A260-S313 CarbonylContact O-C 3.57Å; A260-S313 VanDerWaalsContact O-CA 3.23Å; A260-S313 WeakPolarHBondContact O-CA 3.22Å; A299-S313 WeakPolarHBondContact CB-O 3.31Å |
| 314 | V | 96.4 | Very high | 90.6 | Very high | 7 Ų | 7 | 69.3 Ų | 69.3 | 4% | 0.042 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 133.9 | 170.9 | 67.9 | 0 | 0 | 0 | 0 | 108.9 | A259 A260 L283 I285 L297 A299 | A259-V314 WeakPolarHBondContact CA-O 3.35Å; A260-V314 HydrophobicContact CB-CG1 4.09Å; A260-V314 PolarHBondContact N-O 3.37Å; A260-V314 PolarHBondContact O-N 2.97Å; L283-V314 HydrophobicContact CD2-CB 4.15Å; L283-V314 HydrophobicContact CD2-CG1 3.79Å; L283-V314 HydrophobicContact CG-CB 4.18Å; L283-V314 HydrophobicContact CG-CG1 3.69Å; I285-V314 HydrophobicContact CD1-CG1 3.64Å; I285-V314 HydrophobicContact CG1-CG1 3.77Å; L297-V314 HydrophobicContact CB-CG2 3.73Å; A299-V314 HydrophobicContact CB-CB 3.78Å; A299-V314 HydrophobicContact CB-CG2 4.04Å |
| 315 | N | 96.6 | Very high | 91.4 | Very high | 110 Ų | 110 | 66 Ų | 66 | 59% | 0.588 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 136.8 | 178.3 | -61.6 | -53.5 | 0 | 0 | 0 | 108.5 | A259 | A259-N315 WeakPolarHBondContact CB-OD1 3.28Å |
| 316 | G | 94.9 | Very high | 92.6 | Very high | 25 Ų | 25 | 58.6 Ų | 58.6 | 26% | 0.258 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 179.9 | -176.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L258 | L258-G316 PolarHBondContact N-O 3Å; L258-G316 PolarHBondContact O-N 2.74Å; L258-G316 VanDerWaalsContact O-O 3.14Å |
| 317 | I | 94.7 | Very high | 93.5 | Very high | 98 Ų | 98 | 56.9 Ų | 56.9 | 50% | 0.503 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 130.5 | -179.3 | -59.1 | 170.5 | 0 | 0 | 0 | 107.9 | F255 Y256 L351 | F255-I317 HydrophobicContact CB-CG2 4.03Å; F255-I317 HydrophobicContact CD1-CG2 4.1Å; Y256-I317 WeakPolarHBondContact O-CA 3.3Å; I317-L351 HydrophobicContact CD1-CD1 3.95Å; I317-L351 HydrophobicContact CG1-CD1 4.24Å |
| 318 | L | 93.8 | Very high | 94.3 | Very high | 16 Ų | 16 | 53.3 Ų | 53.3 | 8% | 0.084 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 140.3 | 170.3 | -64.4 | 179.4 | 0 | 0 | 0 | 109.9 | Y256 L258 I285 I287 L297 L320 | Y256-L318 PolarHBondContact N-O 2.83Å; Y256-L318 PolarHBondContact O-N 2.9Å; L258-L318 HydrophobicContact CD1-CB 3.76Å; L258-L318 HydrophobicContact CD1-CD1 3.72Å; L258-L318 HydrophobicContact CD1-CG 3.9Å; I285-L318 HydrophobicContact CG2-CD1 4.32Å; I287-L318 HydrophobicContact CD1-CD1 4.34Å; I287-L318 HydrophobicContact CG1-CD1 4.08Å; L297-L318 HydrophobicContact CD1-CD1 4.29Å; L297-L318 HydrophobicContact CD1-CG 4.03Å; L297-L318 HydrophobicContact CD2-CD2 3.79Å; L297-L318 HydrophobicContact CD2-CG 4.09Å; L297-L318 HydrophobicContact CG-CD1 3.98Å; L297-L318 HydrophobicContact CG-CD2 3.84Å; L297-L318 HydrophobicContact CG-CG 3.75Å; L318-L320 HydrophobicContact CB-CD2 4.48Å |
| 319 | Y | 94 | Very high | 94.8 | Very high | 106 Ų | 106 | 46.4 Ų | 46.4 | 42% | 0.416 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 119.3 | 167.2 | -175.3 | -93.7 | 0 | 0 | 0 | 108.9 | G254 F255 Q321 | G254-Y319 WeakPolarHBondContact O-CA 3.3Å; F255-Y319 HydrophobicContact CD1-CD2 4.06Å; F255-Y319 HydrophobicContact CD2-CD2 4.19Å; F255-Y319 AromaticContact CE1-CD2 3.9Å; F255-Y319 HydrophobicContact CE1-CD2 3.9Å; F255-Y319 HydrophobicContact CE1-CG 4.48Å; F255-Y319 HydrophobicContact CE2-CD2 4.03Å; F255-Y319 HydrophobicContact CE2-CE2 4.35Å; F255-Y319 HydrophobicContact CG-CD2 4.21Å; F255-Y319 AromaticContact CZ-CD2 3.89Å; F255-Y319 HydrophobicContact CZ-CD2 3.89Å; F255-Y319 HydrophobicContact CZ-CE2 4.48Å; Y319-Q321 HydrophobicContact CE1-CG 4.14Å |
| 320 | L | 94 | Very high | 95 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 132.5 | 177.2 | -57.7 | 175.8 | 0 | 0 | 0 | 109.2 | Y248 A250 A253 G254 Y256 I287 L318 A326 | Y248-L320 HydrophobicContact CD1-CD1 4.28Å; Y248-L320 HydrophobicContact CE1-CD1 4.25Å; A250-L320 HydrophobicContact CB-CB 3.65Å; A250-L320 HydrophobicContact CB-CD1 4.07Å; A253-L320 CarbonylContact C-O 3.58Å; A253-L320 VanDerWaalsContact CA-O 3.24Å; A253-L320 WeakPolarHBondContact CA-O 3.43Å; G254-L320 PolarHBondContact N-O 2.95Å; G254-L320 PolarHBondContact O-N 2.88Å; Y256-L320 HydrophobicContact CD2-CB 3.65Å; Y256-L320 HydrophobicContact CD2-CD1 3.65Å; Y256-L320 HydrophobicContact CD2-CG 3.73Å; Y256-L320 HydrophobicContact CE2-CB 3.72Å; Y256-L320 HydrophobicContact CE2-CD1 4.15Å; Y256-L320 HydrophobicContact CE2-CG 4.27Å; Y256-L320 HydrophobicContact CG-CD1 3.87Å; Y256-L320 HydrophobicContact CG-CG 4.34Å; I287-L320 HydrophobicContact CD1-CD2 3.78Å; I287-L320 HydrophobicContact CG1-CD2 3.65Å; I287-L320 HydrophobicContact CG2-CD2 4.29Å; L318-L320 HydrophobicContact CB-CD2 4.48Å; L320-A326 HydrophobicContact CD1-CB 4.4Å; L320-A326 HydrophobicContact CD2-CB 4.44Å |
| 321 | Q | 94.9 | Very high | 95.1 | Very high | 109 Ų | 109 | 42.7 Ų | 42.7 | 51% | 0.509 | 23% | 0.226 | S | C | . | . | trans | -79.4 | 156.3 | 169.9 | -58.8 | 176.6 | -26.8 | 0 | 0 | 110.5 | Y319 G323 Q324 | Y319-Q321 HydrophobicContact CE1-CG 4.14Å; Q321-G323 PolarHBondContact O-N 2.93Å; Q321-Q324 HydrophobicContact CB-CG 3.89Å; Q321-Q324 VanDerWaalsContact O-CB 3.31Å; Q321-Q324 WeakPolarHBondContact O-CB 3.35Å; Q321-Q324 PolarHBondContact O-N 2.91Å; Q321-Q324 VanDerWaalsContact OE1-NE2 3.13Å | ||
| 322 | M | 94.3 | Very high | 95.1 | Very high | 147 Ų | 147 | 39.8 Ų | 39.8 | 72% | 0.724 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | 125.5 | 175.7 | -176.9 | -179.4 | -175.6 | 0 | 0 | 110.9 | Q324 | M322-Q324 VanDerWaalsContact C-N 3.25Å; M322-Q324 PolarHBondContact O-N 2.91Å |
| 323 | G | 93.6 | Very high | 94.9 | Very high | 20 Ų | 20 | 40.6 Ų | 40.6 | 21% | 0.206 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.3 | -5.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | R249 A250 Q321 | R249-G323 PolarHBondContact NH1-O 3.25Å; R249-G323 PolarHBondContact NH2-O 3.33Å; A250-G323 PolarHBondContact O-N 2.03Å; Q321-G323 PolarHBondContact O-N 2.93Å |
| 324 | Q | 94.8 | Very high | 94.5 | Very high | 32 Ų | 32 | 37.8 Ų | 37.8 | 15% | 0.15 | 20% | 0.195 | C | C | . | . | trans | -67.9 | 153.3 | 163.8 | -71.4 | -176.9 | -24.3 | 0 | 0 | 109.8 | R249 A250 I287 Q321 M322 | R249-Q324 CarbonylContact C-O 3.59Å; R249-Q324 VanDerWaalsContact CA-O 3.32Å; R249-Q324 WeakPolarHBondContact CA-O 3.49Å; A250-Q324 PolarHBondContact N-O 3.2Å; I287-Q324 HydrophobicContact CG2-CB 4.24Å; I287-Q324 HydrophobicContact CG2-CG 4.48Å; Q321-Q324 HydrophobicContact CB-CG 3.89Å; Q321-Q324 VanDerWaalsContact O-CB 3.31Å; Q321-Q324 WeakPolarHBondContact O-CB 3.35Å; Q321-Q324 PolarHBondContact O-N 2.91Å; Q321-Q324 VanDerWaalsContact OE1-NE2 3.13Å; M322-Q324 VanDerWaalsContact C-N 3.25Å; M322-Q324 PolarHBondContact O-N 2.91Å | ||
| 325 | W | 94.6 | Very high | 94 | Very high | 50 Ų | 50 | 39.1 Ų | 39.1 | 19% | 0.189 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 148.6 | 178.8 | 55 | -90.4 | 0 | 0 | 0 | 111.3 | Q247 Y248 R249 I287 Q288 S289 S327 | Q247-W325 HydrophobicContact CB-CE3 4.3Å; Q247-W325 HydrophobicContact CG-CE3 3.85Å; Q247-W325 HydrophobicContact CG-CZ3 4.02Å; Y248-W325 CarbonylContact O-C 3.46Å; Y248-W325 WeakPolarHBondContact O-CA 3.47Å; R249-W325 HydrophobicContact CB-CB 4.37Å; I287-W325 CarbonylContact C-O 3.56Å; I287-W325 WeakPolarHBondContact CA-O 3.44Å; Q288-W325 HydrophobicContact CB-CZ2 4.34Å; Q288-W325 PolarHBondContact N-O 3.01Å; S289-W325 WeakPolarHBondContact OG-CH2 3.41Å; S289-W325 WeakPolarHBondContact OG-CZ3 3.3Å; W325-S327 WeakPolarHBondContact CZ3-OG 3.07Å |
| 326 | A | 95.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 139.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y248 I285 C286 L320 | Y248-A326 PolarHBondContact N-O 3.07Å; Y248-A326 PolarHBondContact O-N 3.04Å; I285-A326 HydrophobicContact CG2-CB 4.35Å; C286-A326 WeakPolarHBondContact O-CA 3.43Å; L320-A326 HydrophobicContact CD1-CB 4.4Å; L320-A326 HydrophobicContact CD2-CB 4.44Å |
| 327 | S | 95.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 164 | 171.7 | 57.8 | 0 | 0 | 0 | 0 | 111.5 | E222 I285 C286 W325 F329 | E222-S327 VanDerWaalsContact OE1-CB 3.29Å; E222-S327 WeakPolarHBondContact OE1-CB 3.38Å; E222-S327 PolarHBondContact OE1-OG 2.96Å; I285-S327 WeakPolarHBondContact CA-O 3.45Å; C286-S327 PolarHBondContact N-O 3.08Å; C286-S327 PolarHBondContact O-N 3.3Å; W325-S327 WeakPolarHBondContact CZ3-OG 3.07Å; S327-F329 WeakPolarHBondContact OG-CE2 3.24Å; S327-F329 WeakPolarHBondContact OG-CZ 3.12Å |
| 328 | V | 96.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 129.7 | -176.7 | -174.3 | 0 | 0 | 0 | 0 | 109.2 | L223 A260 L283 L284 I285 F346 | L223-V328 HydrophobicContact CD1-CG1 4.05Å; L223-V328 PolarHBondContact N-O 3.29Å; A260-V328 HydrophobicContact CB-CG1 4.01Å; A260-V328 HydrophobicContact CB-CG2 4.01Å; L283-V328 HydrophobicContact CD1-CG1 3.52Å; L284-V328 CarbonylContact O-C 3.45Å; L284-V328 WeakPolarHBondContact O-CA 3.47Å; I285-V328 HydrophobicContact CG1-CG2 4.37Å; V328-F346 HydrophobicContact CG2-CB 4.06Å; V328-F346 HydrophobicContact CG2-CD1 3.89Å; V328-F346 HydrophobicContact CG2-CD2 3.43Å; V328-F346 VanDerWaalsContact CG2-CD2 3.43Å; V328-F346 HydrophobicContact CG2-CE1 4.17Å; V328-F346 HydrophobicContact CG2-CE2 3.76Å; V328-F346 HydrophobicContact CG2-CG 3.52Å; V328-F346 HydrophobicContact CG2-CZ 4.11Å |
| 329 | F | 95.9 | Very high | 93.3 | Very high | 11 Ų | 11 | 30.4 Ų | 30.4 | 5% | 0.048 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 146.5 | 175.7 | -64 | -97.5 | 0 | 0 | 0 | 110.6 | L220 H221 E222 L283 L284 C286 S289 S327 | L220-F329 HydrophobicContact CD1-CB 3.84Å; L220-F329 HydrophobicContact CD1-CD1 4.38Å; L220-F329 HydrophobicContact CD1-CG 4.49Å; L220-F329 HydrophobicContact CD2-CD1 4.19Å; L220-F329 HydrophobicContact CG-CB 4.44Å; L220-F329 HydrophobicContact CG-CD1 4.07Å; H221-F329 CarbonylContact O-C 3.53Å; H221-F329 VanDerWaalsContact O-CA 3.3Å; H221-F329 WeakPolarHBondContact O-CA 3.39Å; E222-F329 HydrophobicContact CB-CD1 3.77Å; E222-F329 HydrophobicContact CB-CE1 3.45Å; E222-F329 VanDerWaalsContact CB-CE1 3.45Å; E222-F329 HydrophobicContact CB-CZ 4.1Å; E222-F329 HydrophobicContact CG-CD1 4.12Å; E222-F329 HydrophobicContact CG-CE1 3.61Å; E222-F329 HydrophobicContact CG-CE2 4.35Å; E222-F329 HydrophobicContact CG-CZ 3.7Å; L283-F329 WeakPolarHBondContact CD1-O 3.23Å; L284-F329 HydrophobicContact CB-CB 4.17Å; L284-F329 PolarHBondContact N-O 2.84Å; L284-F329 PolarHBondContact O-N 3.15Å; C286-F329 HydrophobicContact CB-CD2 3.96Å; C286-F329 HydrophobicContact CB-CE2 3.91Å; S289-F329 WeakPolarHBondContact OG-CZ 3.32Å; S327-F329 WeakPolarHBondContact OG-CE2 3.24Å; S327-F329 WeakPolarHBondContact OG-CZ 3.12Å |
| 330 | L | 96 | Very high | 93.4 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 115.7 | 169 | -174.2 | 62.6 | 0 | 0 | 0 | 108.9 | V215 H221 L262 V264 L281 L283 L338 V340 | V215-L330 HydrophobicContact CG2-CD2 4.26Å; H221-L330 PolarHBondContact N-O 2.93Å; H221-L330 PolarHBondContact O-N 3.16Å; L262-L330 HydrophobicContact CD1-CB 4.35Å; L262-L330 HydrophobicContact CD1-CD1 4.21Å; L262-L330 HydrophobicContact CD1-CD2 4.21Å; V264-L330 HydrophobicContact CG2-CD2 4.42Å; L281-L330 HydrophobicContact CB-CD1 4.36Å; L283-L330 HydrophobicContact CB-CD1 4.46Å; L330-L338 HydrophobicContact CD2-CD1 3.67Å; L330-V340 HydrophobicContact CD2-CG2 3.43Å; L330-V340 VanDerWaalsContact CD2-CG2 3.43Å |
| 331 | D | 94.9 | Very high | 93.5 | Very high | 43 Ų | 43 | 26.3 Ų | 26.3 | 23% | 0.23 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 113.5 | 171.1 | -174.2 | 13.8 | 0 | 0 | 0 | 109.2 | L220 L281 R282 L284 | L220-D331 HydrophobicContact CD1-CB 3.75Å; L281-D331 WeakPolarHBondContact CA-O 3.49Å; R282-D331 HydrophobicContact CB-CB 3.92Å; R282-D331 HydrophobicContact CG-CB 4.35Å; R282-D331 PolarHBondContact N-O 2.69Å; R282-D331 PolarHBondContact O-N 3.17Å; L284-D331 HydrophobicContact CD1-CB 4.36Å |
| 332 | N | 94.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 90.1 | 174.5 | -179.9 | 12.8 | 0 | 0 | 0 | 110.1 | V215 E216 R218 A219 L281 S334 S336 L338 | V215-N332 HydrophobicContact CG1-CB 3.68Å; E216-N332 WeakPolarHBondContact O-CB 2.97Å; E216-N332 PolarHBondContact O-ND2 2.85Å; R218-N332 CarbonylContact C-O 3.58Å; R218-N332 WeakPolarHBondContact CA-O 3.43Å; R218-N332 PolarHBondContact N-O 2.8Å; A219-N332 PolarHBondContact N-O 2.88Å; A219-N332 PolarHBondContact O-N 2.95Å; L281-N332 HydrophobicContact CD2-CB 4.1Å; L281-N332 WeakPolarHBondContact CD2-OD1 3.32Å; N332-S334 PolarHBondContact O-N 3.41Å; N332-S334 WeakPolarHBondContact OD1-CB 3.45Å; N332-S334 PolarHBondContact OD1-N 3.15Å; N332-S334 PolarHBondContact OD1-OG 2.7Å; N332-S336 PolarHBondContact ND2-O 3.39Å; N332-L338 HydrophobicContact CB-CD2 4.02Å |
| 333 | A | 91.8 | Very high | 93.3 | Very high | 19 Ų | 19 | 18.2 Ų | 18.2 | 16% | 0.157 | 12% | 0.124 | C | C | . | . | trans | -78.6 | -0.4 | 175 | 0 | 0 | 0 | 0 | 0 | 113.4 | H280 | H280-A333 VanDerWaalsContact CE1-CB 3.47Å; H280-A333 WeakPolarHBondContact CE1-CB 3.31Å; H280-A333 VanDerWaalsContact O-CB 3.31Å; H280-A333 WeakPolarHBondContact O-CB 3.38Å; H280-A333 PolarHBondContact O-N 2.81Å; H280-A333 VanDerWaalsContact O-N 3.15Å | ||
| 334 | S | 88.3 | Confident | 93.5 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -76.2 | 164.4 | 179.9 | 85.8 | 0 | 0 | 0 | 0 | 112.9 | R218 N332 S336 | R218-S334 PolarHBondContact N-O 3.23Å; N332-S334 PolarHBondContact O-N 3.41Å; N332-S334 WeakPolarHBondContact OD1-CB 3.45Å; N332-S334 PolarHBondContact OD1-N 3.15Å; N332-S334 PolarHBondContact OD1-OG 2.7Å; S334-S336 VanDerWaalsContact C-N 3.32Å; S334-S336 PolarHBondContact OG-N 2.94Å; S334-S336 PolarHBondContact OG-O 3.37Å; S334-S336 VanDerWaalsContact OG-O 3.05Å; S334-S336 PolarHBondContact OG-OG 3.05Å |
| 335 | G | 84.7 | Confident | 93.4 | Very high | 35 Ų | 35 | 18.3 Ų | 18.3 | 36% | 0.361 | 12% | 0.119 | S | C | . | . | S | Bend | trans | -78.9 | -9.2 | 176 | 0 | 0 | 0 | 0 | 0 | 115.4 | R217 | R217-G335 WeakPolarHBondContact CB-O 3.4Å; R217-G335 WeakPolarHBondContact CD-O 3.34Å |
| 336 | S | 86.8 | Confident | 93.5 | Very high | 19 Ų | 19 | 16 Ų | 16 | 13% | 0.133 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -113.7 | 152 | -174.9 | 45.8 | 0 | 0 | 0 | 0 | 111.6 | N332 S334 | N332-S336 PolarHBondContact ND2-O 3.39Å; S334-S336 VanDerWaalsContact C-N 3.32Å; S334-S336 PolarHBondContact OG-N 2.94Å; S334-S336 PolarHBondContact OG-O 3.37Å; S334-S336 VanDerWaalsContact OG-O 3.05Å; S334-S336 PolarHBondContact OG-OG 3.05Å |
| 337 | S | 91.1 | Very high | 93.5 | Very high | 29 Ų | 29 | 16.9 Ų | 16.9 | 20% | 0.203 | 12% | 0.117 | C | C | . | . | trans | -75.4 | 150 | 168.1 | 55.5 | 0 | 0 | 0 | 0 | 110.4 | V215 | V215-S337 WeakPolarHBondContact O-CA 3.42Š| ||
| 338 | L | 93.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 160.4 | 179.6 | 61.6 | 86.4 | 0 | 0 | 0 | 110 | V215 V264 L266 L281 L330 N332 V340 | V215-L338 HydrophobicContact CB-CD1 3.59Å; V215-L338 HydrophobicContact CB-CG 4.03Å; V215-L338 HydrophobicContact CG1-CD1 4.28Å; V215-L338 HydrophobicContact CG2-CD1 3.89Å; V215-L338 PolarHBondContact N-O 3.4Å; V215-L338 PolarHBondContact O-N 2.84Å; V264-L338 HydrophobicContact CG1-CB 4.02Å; V264-L338 HydrophobicContact CG1-CD1 3.77Å; V264-L338 HydrophobicContact CG1-CD2 4.26Å; V264-L338 HydrophobicContact CG1-CG 4.24Å; L266-L338 HydrophobicContact CD1-CB 4.1Å; L281-L338 HydrophobicContact CD1-CD2 3.73Å; L281-L338 HydrophobicContact CD2-CD2 3.36Å; L281-L338 HydrophobicContact CG-CD2 4.22Å; L330-L338 HydrophobicContact CD2-CD1 3.67Å; N332-L338 HydrophobicContact CB-CD2 4.02Å; L338-V340 HydrophobicContact CD1-CG2 4.19Å |
| 339 | T | 95.2 | Very high | 93.4 | Very high | 18 Ų | 18 | 18.9 Ų | 18.9 | 11% | 0.11 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 121.9 | 178 | 46.6 | 0 | 0 | 0 | 0 | 109.6 | A213 L214 V264 A265 R267 C341 | A213-T339 CarbonylContact O-C 3.52Å; A213-T339 WeakPolarHBondContact O-CA 3.22Å; L214-T339 HydrophobicContact CD1-CG2 3.82Å; V264-T339 WeakPolarHBondContact CA-O 3.28Å; A265-T339 PolarHBondContact N-O 2.76Å; A265-T339 PolarHBondContact O-N 3.48Å; A265-T339 PolarHBondContact O-OG1 2.9Å; A265-T339 VanDerWaalsContact O-OG1 3.04Å; R267-T339 HydrophobicContact CG-CG2 4.46Å; T339-C341 PolarHBondContact O-N 3.31Å |
| 340 | V | 96.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 117.7 | 167.1 | -177.8 | 0 | 0 | 0 | 0 | 107.3 | L209 D212 A213 V215 L223 L262 H263 L330 L338 S344 | L209-V340 HydrophobicContact CD2-CB 4.3Å; L209-V340 HydrophobicContact CD2-CG1 3.78Å; D212-V340 CarbonylContact C-O 3.48Å; D212-V340 WeakPolarHBondContact CA-O 3.26Å; A213-V340 HydrophobicContact CB-CB 4.35Å; A213-V340 PolarHBondContact N-O 3.33Å; A213-V340 PolarHBondContact O-N 2.59Å; V215-V340 HydrophobicContact CG2-CG2 4.04Å; L223-V340 HydrophobicContact CD1-CG1 4.34Å; L223-V340 HydrophobicContact CD2-CB 4.24Å; L223-V340 HydrophobicContact CD2-CG1 4.29Å; L223-V340 HydrophobicContact CD2-CG2 4.11Å; L262-V340 HydrophobicContact CB-CG1 4.24Å; L262-V340 HydrophobicContact CD1-CG1 4.48Å; L262-V340 HydrophobicContact CD2-CG1 4.2Å; H263-V340 CarbonylContact O-C 3.51Å; L330-V340 HydrophobicContact CD2-CG2 3.43Å; L330-V340 VanDerWaalsContact CD2-CG2 3.43Å; L338-V340 HydrophobicContact CD1-CG2 4.19Å; V340-S344 WeakPolarHBondContact CG1-OG 3.3Å |
| 341 | C | 95.9 | Very high | 93.1 | Very high | 21 Ų | 21 | 24 Ų | 24 | 14% | 0.142 | 16% | 0.156 | C | C | . | . | P | Polyproline II helix | trans | -72.5 | 147.7 | -175.5 | -54 | 0 | 0 | 0 | 0 | 110.9 | H263 T339 S344 | H263-C341 HydrophobicContact CB-CB 4.05Å; H263-C341 WeakPolarHBondContact O-CB 3.39Å; H263-C341 PolarHBondContact O-N 3.04Å; T339-C341 PolarHBondContact O-N 3.31Å; C341-S344 WeakPolarHBondContact O-CB 3.46Å; C341-S344 PolarHBondContact O-N 2.83Å; C341-S344 PolarHBondContact O-OG 3.17Å |
| 342 | S | 94.4 | Very high | 92.8 | Very high | 62 Ų | 62 | 23.4 Ų | 23.4 | 43% | 0.434 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | 147.3 | 163.3 | 52.8 | 0 | 0 | 0 | 0 | 111.1 | D212 S344 | D212-S342 WeakPolarHBondContact OD1-CB 3.01Å; D212-S342 PolarHBondContact OD1-N 3.44Å; D212-S342 PolarHBondContact OD1-OG 2.86Å; D212-S342 VanDerWaalsContact OD1-OG 3.07Å; S342-S344 VanDerWaalsContact C-N 3.32Å; S342-S344 PolarHBondContact O-N 2.67Å |
| 343 | G | 90.8 | Very high | 92.4 | Very high | 23 Ų | 23 | 29.8 Ų | 29.8 | 24% | 0.237 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.5 | -12.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | L209 | L209-G343 PolarHBondContact O-N 3.3Š|
| 344 | S | 95.9 | Very high | 92.4 | Very high | 2 Ų | 2 | 30.3 Ų | 30.3 | 1% | 0.014 | 20% | 0.2 | C | C | . | . | trans | -52.4 | 137.7 | 163.8 | -63.3 | 0 | 0 | 0 | 0 | 110.3 | R208 L209 T261 H263 V340 C341 S342 | R208-S344 CarbonylContact C-O 3.6Å; R208-S344 VanDerWaalsContact CA-O 3.3Å; R208-S344 WeakPolarHBondContact CA-O 3.15Å; L209-S344 PolarHBondContact N-O 3.29Å; T261-S344 CarbonylContact O-C 3.59Å; T261-S344 WeakPolarHBondContact O-CA 3.4Å; H263-S344 PolarHBondContact N-OG 3.27Å; V340-S344 WeakPolarHBondContact CG1-OG 3.3Å; C341-S344 WeakPolarHBondContact O-CB 3.46Å; C341-S344 PolarHBondContact O-N 2.83Å; C341-S344 PolarHBondContact O-OG 3.17Å; S342-S344 VanDerWaalsContact C-N 3.32Å; S342-S344 PolarHBondContact O-N 2.67Å | ||
| 345 | H | 94.4 | Very high | 92.6 | Very high | 53 Ų | 53 | 31.9 Ų | 31.9 | 25% | 0.245 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 149 | -170.3 | 64.1 | -97.7 | 0 | 0 | 0 | 113.8 | L206 C207 R208 A260 T261 | L206-H345 HydrophobicContact CD1-CB 4.06Å; C207-H345 VanDerWaalsContact O-CA 3.24Å; C207-H345 WeakPolarHBondContact O-CA 3.35Å; C207-H345 WeakPolarHBondContact O-CB 3.13Å; R208-H345 HydrophobicContact CG-CB 4.17Å; A260-H345 WeakPolarHBondContact CA-O 3.38Å; T261-H345 WeakPolarHBondContact CB-CE1 3.38Å; T261-H345 VanDerWaalsContact CB-NE2 3.31Å; T261-H345 WeakPolarHBondContact CB-NE2 3.31Å; T261-H345 PolarHBondContact N-O 3.46Å; T261-H345 PolarHBondContact O-N 3.31Å; T261-H345 PolarHBondContact OG1-CE1 2.8Å; T261-H345 VanDerWaalsContact OG1-CE1 3.32Å; T261-H345 PolarHBondContact OG1-NE2 3.33Å |
| 346 | F | 95.8 | Very high | 93.1 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 0% | 0.004 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 135.1 | 173 | 173.6 | -134 | 0 | 0 | 0 | 108.8 | F205 C207 Y226 L258 A259 A260 I285 V328 | F205-F346 AromaticContact CE2-CD1 3.71Å; F205-F346 HydrophobicContact CE2-CD1 3.71Å; F205-F346 AromaticContact CE2-CE1 3.82Å; F205-F346 HydrophobicContact CE2-CE1 3.82Å; F205-F346 HydrophobicContact CE2-CG 4.26Å; F205-F346 HydrophobicContact CE2-CZ 4.42Å; F205-F346 AromaticContact CZ-CD1 3.97Å; F205-F346 HydrophobicContact CZ-CD1 3.97Å; F205-F346 AromaticContact CZ-CE1 3.56Å; F205-F346 HydrophobicContact CZ-CE1 3.56Å; F205-F346 AromaticContact CZ-CZ 3.9Å; F205-F346 HydrophobicContact CZ-CZ 3.9Å; C207-F346 PolarHBondContact N-O 2.96Å; C207-F346 PolarHBondContact O-N 2.86Å; C207-F346 PolarHBondContact SG-O 2.88Å; C207-F346 VanDerWaalsContact SG-O 3.34Å; Y226-F346 HydrophobicContact CE1-CB 4.19Å; L258-F346 HydrophobicContact CD2-CE2 3.76Å; L258-F346 HydrophobicContact CD2-CZ 3.79Å; A259-F346 CarbonylContact O-C 3.51Å; A259-F346 WeakPolarHBondContact O-CA 3.5Å; A259-F346 WeakPolarHBondContact O-CD2 3.32Å; A260-F346 HydrophobicContact CB-CD2 4.11Å; I285-F346 HydrophobicContact CD1-CE2 4.14Å; V328-F346 HydrophobicContact CG2-CB 4.06Å; V328-F346 HydrophobicContact CG2-CD1 3.89Å; V328-F346 HydrophobicContact CG2-CD2 3.43Å; V328-F346 VanDerWaalsContact CG2-CD2 3.43Å; V328-F346 HydrophobicContact CG2-CE1 4.17Å; V328-F346 HydrophobicContact CG2-CE2 3.76Å; V328-F346 HydrophobicContact CG2-CG 3.52Å; V328-F346 HydrophobicContact CG2-CZ 4.11Å |
| 347 | S | 95.2 | Very high | 93.5 | Very high | 19 Ų | 19 | 32.5 Ų | 32.5 | 13% | 0.133 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 151.7 | -179.1 | 59.6 | 0 | 0 | 0 | 0 | 111.8 | F205 L258 A259 | F205-S347 WeakPolarHBondContact O-CA 3.17Å; F205-S347 WeakPolarHBondContact O-CB 3.17Å; L258-S347 WeakPolarHBondContact CA-O 3.21Å; A259-S347 PolarHBondContact N-O 2.71Å; A259-S347 PolarHBondContact O-N 2.93Å; A259-S347 PolarHBondContact O-OG 2.85Å |
| 348 | A | 95.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 150.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | A204 F205 Y248 A257 L258 | A204-A348 CarbonylContact C-O 3.54Å; A204-A348 WeakPolarHBondContact CA-O 3.33Å; F205-A348 HydrophobicContact CD1-CB 4Å; F205-A348 HydrophobicContact CE1-CB 3.25Å; F205-A348 HydrophobicContact CZ-CB 3.6Å; F205-A348 PolarHBondContact N-O 3.21Å; F205-A348 PolarHBondContact O-N 3.34Å; Y248-A348 HydrophobicContact CE1-CB 4.47Å; A257-A348 CarbonylContact O-C 3.59Å; A257-A348 WeakPolarHBondContact O-CA 2.98Å; L258-A348 HydrophobicContact CD2-CB 3.47Å; L258-A348 VanDerWaalsContact CD2-CB 3.47Å; L258-A348 HydrophobicContact CG-CB 4.19Å |
| 349 | V | 94.9 | Very high | 93.6 | Very high | 42 Ų | 42 | 34.9 Ų | 34.9 | 26% | 0.255 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 127.5 | 173.9 | -177.7 | 0 | 0 | 0 | 0 | 109.1 | V201 A204 F235 Y256 A257 L351 | V201-V349 HydrophobicContact CG1-CG1 3.85Å; A204-V349 HydrophobicContact CB-CB 4.41Å; A204-V349 HydrophobicContact CB-CG1 4.27Å; A204-V349 HydrophobicContact CB-CG2 4.08Å; F235-V349 HydrophobicContact CE2-CG2 4.17Å; F235-V349 HydrophobicContact CZ-CG2 4.42Å; Y256-V349 CarbonylContact C-O 3.5Å; Y256-V349 WeakPolarHBondContact CA-O 3.46Å; A257-V349 PolarHBondContact N-O 2.85Å; A257-V349 PolarHBondContact O-N 2.8Å; V349-L351 PolarHBondContact O-N 3.09Å |
| 350 | L | 94 | Very high | 93.5 | Very high | 14 Ų | 14 | 36.1 Ų | 36.1 | 7% | 0.073 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 120.5 | 168.7 | 178.2 | 69.5 | 0 | 0 | 0 | 109 | E202 A203 V252 Y256 | E202-L350 HydrophobicContact CB-CD2 3.73Å; A203-L350 HydrophobicContact CB-CB 4.26Å; A203-L350 PolarHBondContact O-N 3.13Å; V252-L350 HydrophobicContact CG2-CD1 4.2Å; V252-L350 HydrophobicContact CG2-CD2 3.48Å; V252-L350 VanDerWaalsContact CG2-CD2 3.48Å; V252-L350 HydrophobicContact CG2-CG 4.5Å; Y256-L350 HydrophobicContact CD1-CB 4Å; Y256-L350 HydrophobicContact CD1-CD1 4.12Å; Y256-L350 HydrophobicContact CD2-CD1 4.23Å; Y256-L350 HydrophobicContact CE1-CB 3.71Å; Y256-L350 HydrophobicContact CE1-CD1 3.67Å; Y256-L350 HydrophobicContact CE1-CG 4.22Å; Y256-L350 HydrophobicContact CE2-CD1 3.81Å; Y256-L350 HydrophobicContact CG-CD1 4.39Å |
| 351 | L | 92.6 | Very high | 93.3 | Very high | 105 Ų | 105 | 38.8 Ų | 38.8 | 55% | 0.55 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | -39 | 177.3 | -59.8 | -180 | 0 | 0 | 0 | 111.8 | F255 A257 I317 V349 | F255-L351 PolarHBondContact O-N 3.46Å; A257-L351 HydrophobicContact CB-CD1 4.05Å; A257-L351 HydrophobicContact CB-CD2 4.04Å; A257-L351 HydrophobicContact CB-CG 4.05Å; I317-L351 HydrophobicContact CD1-CD1 3.95Å; I317-L351 HydrophobicContact CG1-CD1 4.24Å; V349-L351 PolarHBondContact O-N 3.09Å |
| 352 | G | 87.9 | Confident | 93.1 | Very high | 29 Ų | 29 | 40.3 Ų | 40.3 | 30% | 0.299 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 171.7 | 170.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | G254 F255 | G254-G352 CarbonylContact C-O 3.57Å; G254-G352 VanDerWaalsContact CA-O 3.29Å; G254-G352 WeakPolarHBondContact CA-O 3.47Å; F255-G352 PolarHBondContact N-O 2.94Å |
| 353 | V | 85.9 | Confident | 93 | Very high | 134 Ų | 134 | 38.4 Ų | 38.4 | 81% | 0.812 | 24% | 0.238 | S | C | * | . | trans | -104.1 | 0 | 178.7 | -56.6 | 0 | 0 | 0 | 0 | 110.9 | V252 A253 | V252-V353 HydrophobicContact CG2-CG1 4.4Å; A253-V353 WeakPolarHBondContact O-CB 3.22Å; A253-V353 WeakPolarHBondContact O-CG1 3.49Å |
Retrieved 353 of 353 residues in 84.4 ms
(Link to these results)