| 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 | 46.3 | Very low | 47 | Very low | 236 Ų | 236 | 166.7 Ų | 166.7 | 100% | 1.163 | 86% | 0.859 | S | S | * | * | 0 | 93.7 | 0 | -74.4 | 160.9 | 166.8 | 0 | 0 | 105.6 | |||||
| 2 | Q | 45.4 | Very low | 46.4 | Very low | 202 Ų | 202 | 162.5 Ų | 162.5 | 94% | 0.944 | 86% | 0.855 | S | S | * | * | 45.7 | 109.6 | 97.5 | -62.5 | -174.8 | 14 | 0 | 0 | 109.8 | |||||
| 3 | G | 39.7 | Very low | 46.4 | Very low | 76 Ų | 76 | 157.8 Ų | 157.8 | 78% | 0.784 | 85% | 0.854 | S | S | * | * | cis | 114.1 | 95.9 | 23.9 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 4 | E | 48.9 | Very low | 46.2 | Very low | 169 Ų | 169 | 154.6 Ų | 154.6 | 79% | 0.79 | 86% | 0.859 | S | S | * | * | trans | -144 | 128.1 | 179.3 | -86.5 | -154.7 | 117.7 | 0 | 0 | 112.7 | ||||
| 5 | Y | 46.1 | Very low | 45.9 | Very low | 192 Ų | 192 | 150.8 Ų | 150.8 | 75% | 0.753 | 86% | 0.856 | S | S | * | * | trans | 52.2 | 119.4 | 150.2 | -70.8 | -92.5 | 0 | 0 | 0 | 121 | ||||
| 6 | R | 52.5 | Low | 45.6 | Very low | 240 Ų | 240 | 147.8 Ų | 147.8 | 91% | 0.906 | 86% | 0.856 | S | S | * | * | -171.7 | 136.8 | 97.8 | -99.7 | 179.1 | 177.2 | 101.4 | -1.7 | 113.9 | |||||
| 7 | S | 46.8 | Very low | 45.5 | Very low | 110 Ų | 110 | 145.3 Ų | 145.3 | 77% | 0.769 | 86% | 0.856 | S | S | * | * | trans | -44.4 | 137.9 | 164.6 | 176.9 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 8 | S | 50 | Low | 45.3 | Very low | 105 Ų | 105 | 143.2 Ų | 143.2 | 73% | 0.734 | 86% | 0.858 | S | S | * | * | 175.7 | 146.9 | 123.5 | -100.7 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 9 | S | 46.4 | Very low | 45.1 | Very low | 109 Ų | 109 | 140.7 Ų | 140.7 | 76% | 0.762 | 86% | 0.855 | S | S | * | * | trans | 84.1 | 83.7 | 154 | -51.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 10 | E | 50.1 | Low | 45 | Very low | 208 Ų | 208 | 138.3 Ų | 138.3 | 97% | 0.972 | 85% | 0.85 | S | S | * | * | trans | -122.9 | 81.1 | 143.8 | -70.1 | -165.5 | 118.5 | 0 | 0 | 108.7 | ||||
| 11 | E | 44.6 | Very low | 45.1 | Very low | 187 Ų | 187 | 141.2 Ų | 141.2 | 87% | 0.874 | 86% | 0.856 | S | S | * | * | trans | -76.6 | 144.6 | 156.8 | -168.9 | 179.7 | 113 | 0 | 0 | 107.8 | ||||
| 12 | S | 40.2 | Very low | 45.1 | Very low | 116 Ų | 116 | 134.5 Ų | 134.5 | 81% | 0.811 | 84% | 0.838 | S | S | * | * | trans | 80.2 | 91.7 | 162.5 | -168.3 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 13 | A | 46.1 | Very low | 45.1 | Very low | 102 Ų | 102 | 130.2 Ų | 130.2 | 84% | 0.843 | 83% | 0.828 | S | S | * | * | trans | -169 | 8.6 | 145 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 14 | A | 43.5 | Very low | 45.2 | Very low | 112 Ų | 112 | 135 Ų | 135 | 93% | 0.926 | 84% | 0.835 | S | S | * | * | S | Bend | trans | -109.9 | 52 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 15 | A | 42.4 | Very low | 44.5 | Very low | 98 Ų | 98 | 131.8 Ų | 131.8 | 81% | 0.81 | 84% | 0.837 | S | S | * | * | S | Bend | trans | -133.3 | 11.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 16 | A | 41.4 | Very low | 43.9 | Very low | 103 Ų | 103 | 127.1 Ų | 127.1 | 85% | 0.851 | 84% | 0.838 | S | S | * | * | trans | -130.8 | 36.1 | -168.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 17 | A | 42.4 | Very low | 43.1 | Very low | 105 Ų | 105 | 120.3 Ų | 120.3 | 87% | 0.868 | 83% | 0.834 | S | S | * | * | trans | -131.8 | 33.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | A19 | A17-A19 VanDerWaalsContact C-N 3.3Å; A17-A19 PolarHBondContact O-N 3.06Å | ||
| 18 | A | 41.8 | Very low | 42.7 | Very low | 107 Ų | 107 | 120.2 Ų | 120.2 | 88% | 0.884 | 84% | 0.839 | S | S | * | * | S | Bend | trans | -86.5 | 14.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 19 | A | 42.6 | Very low | 42 | Very low | 97 Ų | 97 | 120.2 Ų | 120.2 | 80% | 0.802 | 85% | 0.845 | S | S | * | * | S | Bend | trans | -145.9 | 62.1 | -168.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | A17 | A17-A19 VanDerWaalsContact C-N 3.3Å; A17-A19 PolarHBondContact O-N 3.06Å |
| 20 | A | 43.7 | Very low | 41.5 | Very low | 91 Ų | 91 | 119.6 Ų | 119.6 | 75% | 0.752 | 85% | 0.847 | S | S | * | * | trans | -171.1 | 88.4 | 159.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 21 | M | 46.6 | Very low | 41 | Very low | 200 Ų | 200 | 114.2 Ų | 114.2 | 99% | 0.985 | 84% | 0.838 | S | S | * | * | trans | 171.6 | 72.1 | 151.1 | -82.8 | -111.8 | 145.4 | 0 | 0 | 110.4 | ||||
| 22 | A | 46.6 | Very low | 41.2 | Very low | 95 Ų | 95 | 111.8 Ų | 111.8 | 79% | 0.785 | 84% | 0.836 | S | S | * | * | trans | -118 | 152.8 | 145.2 | 0 | 0 | 0 | 0 | 0 | 106 | ||||
| 23 | P | 44.9 | Very low | 41.2 | Very low | 112 Ų | 112 | 115.7 Ų | 115.7 | 73% | 0.727 | 84% | 0.838 | S | S | * | * | cis | -138.1 | 146.1 | 5.4 | 37.3 | -18 | 0 | 0 | 0 | 114.9 | ||||
| 24 | L | 42.4 | Very low | 41 | Very low | 177 Ų | 177 | 119.5 Ų | 119.5 | 93% | 0.927 | 84% | 0.841 | S | S | * | * | S | Bend | trans | -147.7 | 46.1 | 152.2 | -155.8 | 78.6 | 0 | 0 | 0 | 111.9 | ||
| 25 | A | 34.2 | Very low | 41 | Very low | 102 Ų | 102 | 122.4 Ų | 122.4 | 84% | 0.843 | 84% | 0.835 | S | S | * | * | S | Bend | trans | -126.5 | 49.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||
| 26 | A | 32.4 | Very low | 41.1 | Very low | 94 Ų | 94 | 122.7 Ų | 122.7 | 78% | 0.777 | 84% | 0.837 | S | S | * | * | S | Bend | trans | -170.2 | 61.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 27 | A | 36.1 | Very low | 41.3 | Very low | 97 Ų | 97 | 126.1 Ų | 126.1 | 80% | 0.802 | 84% | 0.836 | S | S | * | * | S | Bend | trans | -163.2 | 55 | 168.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 28 | A | 37.5 | Very low | 41.3 | Very low | 108 Ų | 108 | 128 Ų | 128 | 89% | 0.893 | 83% | 0.827 | S | S | * | * | S | Bend | trans | -163.6 | 30.7 | 155.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 29 | A | 37 | Very low | 41.4 | Very low | 104 Ų | 104 | 128.1 Ų | 128.1 | 86% | 0.86 | 83% | 0.827 | S | S | * | * | trans | -120.9 | 60.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 30 | A | 33.9 | Very low | 41.7 | Very low | 97 Ų | 97 | 127.6 Ų | 127.6 | 80% | 0.802 | 82% | 0.823 | S | S | * | * | trans | -171.3 | 106.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 31 | A | 41.4 | Very low | 41.7 | Very low | 94 Ų | 94 | 131.2 Ų | 131.2 | 78% | 0.777 | 83% | 0.827 | S | S | * | * | trans | 157.9 | 122.5 | 139.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 32 | V | 47.8 | Very low | 41.7 | Very low | 137 Ų | 137 | 126.5 Ų | 126.5 | 83% | 0.83 | 82% | 0.82 | S | S | * | * | trans | 70.7 | 93.8 | 157.5 | -156.7 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 33 | K | 40.6 | Very low | 41.7 | Very low | 197 Ų | 197 | 127.5 Ų | 127.5 | 86% | 0.857 | 82% | 0.821 | S | S | * | * | 53.2 | 106.1 | 53.3 | -129.4 | -174.9 | -172.9 | -169.5 | 0 | 113.5 | |||||
| 34 | M | 41.4 | Very low | 41.7 | Very low | 182 Ų | 182 | 126.7 Ų | 126.7 | 90% | 0.897 | 82% | 0.823 | S | S | * | * | trans | 84.1 | 92.9 | 169.5 | -54.5 | -160.5 | 125.8 | 0 | 0 | 118.2 | ||||
| 35 | E | 44 | Very low | 41.8 | Very low | 173 Ų | 173 | 123.2 Ų | 123.2 | 81% | 0.808 | 82% | 0.821 | S | S | * | * | trans | -170.8 | 58.4 | 150.4 | -125.7 | -178.5 | 123.9 | 0 | 0 | 111.7 | ||||
| 36 | A | 44.8 | Very low | 42.7 | Very low | 104 Ų | 104 | 122.9 Ų | 122.9 | 86% | 0.86 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -109.5 | 6.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 37 | E | 45.2 | Very low | 43.4 | Very low | 176 Ų | 176 | 123.5 Ų | 123.5 | 82% | 0.822 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -122.8 | -6.4 | -175.6 | -76.5 | -178.3 | 124.1 | 0 | 0 | 115.5 | ||
| 38 | Q | 41.6 | Very low | 43.7 | Very low | 145 Ų | 145 | 127.5 Ų | 127.5 | 68% | 0.678 | 82% | 0.816 | S | S | * | * | G | 310 helix | trans | -87.9 | -5.1 | -175.8 | -77.6 | -175.1 | 7.9 | 0 | 0 | 115.7 | A40 | Q38-A40 VanDerWaalsContact C-N 3.26Å; Q38-A40 PolarHBondContact O-N 3.02Å |
| 39 | A | 44.4 | Very low | 44.3 | Very low | 108 Ų | 108 | 131 Ų | 131 | 89% | 0.893 | 82% | 0.819 | S | S | * | * | G | 310 helix | trans | -76.7 | -7.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 40 | A | 48.5 | Very low | 44.5 | Very low | 87 Ų | 87 | 129.3 Ų | 129.3 | 72% | 0.719 | 81% | 0.811 | S | S | * | * | G | 310 helix | trans | -97.5 | -12.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q38 | Q38-A40 VanDerWaalsContact C-N 3.26Å; Q38-A40 PolarHBondContact O-N 3.02Å |
| 41 | M | 44.7 | Very low | 45.1 | Very low | 166 Ų | 166 | 130.9 Ų | 130.9 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -98.3 | -7.7 | -171.8 | -67.2 | -178.3 | 82.8 | 0 | 0 | 115.5 | ||
| 42 | A | 45.7 | Very low | 45.2 | Very low | 102 Ų | 102 | 130.2 Ų | 130.2 | 84% | 0.843 | 81% | 0.811 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.5 | 9.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 43 | S | 47.6 | Very low | 45.2 | Very low | 116 Ų | 116 | 131.5 Ų | 131.5 | 81% | 0.811 | 81% | 0.807 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.9 | 9.9 | -173.8 | -169.9 | 0 | 0 | 0 | 0 | 115 | ||
| 44 | A | 43.9 | Very low | 45.3 | Very low | 94 Ų | 94 | 130.5 Ų | 130.5 | 78% | 0.777 | 81% | 0.806 | S | S | * | * | trans | -134 | 67.6 | -173 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 45 | A | 44.8 | Very low | 45.3 | Very low | 105 Ų | 105 | 127.7 Ų | 127.7 | 87% | 0.868 | 79% | 0.79 | S | S | * | * | trans | -142.8 | 101.6 | 162 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 46 | A | 52.6 | Low | 45.3 | Very low | 95 Ų | 95 | 128.4 Ų | 128.4 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | -80.8 | -169.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 47 | P | 48 | Very low | 45.4 | Very low | 107 Ų | 107 | 132.6 Ų | 132.6 | 70% | 0.695 | 80% | 0.795 | S | S | * | * | cis | -139.4 | 169.8 | -47.9 | 40.6 | -22.9 | 0 | 0 | 0 | 113.9 | ||||
| 48 | Q | 42.3 | Very low | 45.1 | Very low | 181 Ų | 181 | 130 Ų | 130 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | trans | 39 | 127.1 | 152.4 | -6.4 | -160 | 52.7 | 0 | 0 | 122.4 | ||||
| 49 | L | 50.4 | Low | 45.1 | Very low | 182 Ų | 182 | 131 Ų | 131 | 95% | 0.953 | 79% | 0.787 | S | S | * | * | trans | 163.2 | 104.5 | 141.2 | -87.1 | 157 | 0 | 0 | 0 | 105.3 | ||||
| 50 | G | 41.9 | Very low | 45.2 | Very low | 68 Ų | 68 | 135.1 Ų | 135.1 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | 104.3 | 110.2 | 76.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 51 | S | 46.2 | Very low | 45.1 | Very low | 130 Ų | 130 | 139.2 Ų | 139.2 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | trans | 145.9 | 124.1 | 146.1 | -67.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 52 | A | 42.8 | Very low | 45 | Very low | 79 Ų | 79 | 139.3 Ų | 139.3 | 65% | 0.653 | 79% | 0.792 | S | S | * | * | trans | -70.2 | 174.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 53 | H | 47.3 | Very low | 45 | Very low | 165 Ų | 165 | 141.4 Ų | 141.4 | 76% | 0.764 | 79% | 0.785 | S | S | * | * | trans | 110.9 | 116.5 | 163.7 | -53.1 | 95.3 | 0 | 0 | 0 | 115.7 | ||||
| 54 | Q | 42.5 | Very low | 44.9 | Very low | 175 Ų | 175 | 140.4 Ų | 140.4 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | 81.2 | 74.4 | 158.2 | -54.6 | -179.7 | 38.6 | 0 | 0 | 120.6 | ||||
| 55 | H | 41.3 | Very low | 45.6 | Very low | 123 Ų | 123 | 147.9 Ų | 147.9 | 57% | 0.569 | 78% | 0.784 | S | S | * | * | trans | -147.3 | 75.8 | 162.9 | -69 | -58.4 | 0 | 0 | 0 | 114.4 | H57 Q58 | H55-H57 VanDerWaalsContact C-N 3.32Å; H55-Q58 HydrophobicContact CB-CB 4.39Å; H55-Q58 HydrophobicContact CB-CG 4.46Å; H55-Q58 PolarHBondContact CE1-NE2 2.91Å; H55-Q58 VanDerWaalsContact ND1-CD 3.34Å; H55-Q58 PolarHBondContact ND1-NE2 2.89Å | ||
| 56 | Q | 45.7 | Very low | 46.5 | Very low | 189 Ų | 189 | 153 Ų | 153 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -86.9 | 3 | 160.4 | -72.5 | -163.9 | 13.1 | 0 | 0 | 113.4 | ||
| 57 | H | 46 | Very low | 48.1 | Very low | 192 Ų | 192 | 153.2 Ų | 153.2 | 89% | 0.889 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -118.6 | 16.7 | -178.7 | -73.2 | -60.6 | 0 | 0 | 0 | 115.6 | H55 | H55-H57 VanDerWaalsContact C-N 3.32Š|
| 58 | Q | 39.6 | Very low | 50.2 | Low | 122 Ų | 122 | 151.3 Ų | 151.3 | 57% | 0.57 | 75% | 0.745 | S | S | * | * | trans | -117.9 | 9.8 | -179.2 | -66.2 | -159.9 | 18.9 | 0 | 0 | 116.1 | H55 Q60 | H55-Q58 HydrophobicContact CB-CB 4.39Å; H55-Q58 HydrophobicContact CB-CG 4.46Å; H55-Q58 PolarHBondContact CE1-NE2 2.91Å; H55-Q58 VanDerWaalsContact ND1-CD 3.34Å; H55-Q58 PolarHBondContact ND1-NE2 2.89Å; Q58-Q60 PolarHBondContact O-N 3.09Å | ||
| 59 | H | 40.4 | Very low | 52.5 | Low | 165 Ų | 165 | 147 Ų | 147 | 76% | 0.764 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | 5.3 | -177.9 | -80 | -59.1 | 0 | 0 | 0 | 116.2 | ||
| 60 | Q | 47.3 | Very low | 54.5 | Low | 195 Ų | 195 | 139.7 Ų | 139.7 | 91% | 0.911 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.9 | -7.8 | 177.3 | -76.2 | 177.1 | 55.6 | 0 | 0 | 114.9 | Q58 | Q58-Q60 PolarHBondContact O-N 3.09Š|
| 61 | Q | 46.8 | Very low | 57 | Low | 172 Ų | 172 | 137 Ų | 137 | 80% | 0.804 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -109.9 | -1.3 | -173.9 | -63.9 | -159.5 | 37 | 0 | 0 | 116.2 | ||
| 62 | M | 41.6 | Very low | 59.3 | Low | 168 Ų | 168 | 135 Ų | 135 | 83% | 0.828 | 63% | 0.632 | S | S | * | * | trans | -145.3 | 59 | -177.9 | -69.9 | -71.5 | 153.4 | 0 | 0 | 111.9 | P64 | M62-P64 WeakPolarHBondContact O-CD 3.32Š| ||
| 63 | Q | 46.6 | Very low | 61.7 | Low | 146 Ų | 146 | 137 Ų | 137 | 68% | 0.682 | 63% | 0.629 | S | S | * | * | trans | -69.4 | 120.3 | 159.3 | -74.6 | -76 | 7.4 | 0 | 0 | 107.2 | R65 | Q63-R65 PolarHBondContact O-N 3.05Š| ||
| 64 | P | 45.9 | Very low | 63.9 | Low | 96 Ų | 96 | 135 Ų | 135 | 62% | 0.623 | 62% | 0.615 | S | S | * | * | trans | -63.9 | 101.3 | -174.3 | 24.7 | -33.5 | 0 | 0 | 0 | 110.2 | M62 R66 | M62-P64 WeakPolarHBondContact O-CD 3.32Å; P64-R66 PolarHBondContact O-N 2.73Å | ||
| 65 | R | 57.5 | Low | 66.2 | Low | 251 Ų | 251 | 137.2 Ų | 137.2 | 95% | 0.947 | 62% | 0.621 | S | S | * | * | S | Bend | trans | 37.5 | 23.9 | 163.2 | -63.7 | -117.3 | 169 | 141.5 | -1.2 | 117.5 | Q63 Q67 | Q63-R65 PolarHBondContact O-N 3.05Å; R65-Q67 PolarHBondContact O-N 2.84Å; R65-Q67 VanDerWaalsContact O-N 3.08Å |
| 66 | R | 64.6 | Low | 68.5 | Low | 211 Ų | 211 | 141 Ų | 141 | 80% | 0.796 | 63% | 0.631 | S | S | * | * | trans | -76 | 105 | 176.8 | -85.8 | 178 | 172.7 | -105.1 | 0.4 | 106.9 | P64 Y68 | P64-R66 PolarHBondContact O-N 2.73Å; R66-Y68 PolarHBondContact O-N 2.81Å | ||
| 67 | Q | 85.3 | Confident | 70.6 | Confident | 100 Ų | 100 | 134.2 Ų | 134.2 | 47% | 0.467 | 61% | 0.612 | S | S | . | * | P | Polyproline II helix | trans | -49.5 | 124.8 | 173 | -175.9 | 63 | 34.1 | 0 | 0 | 109.6 | R65 V71 | R65-Q67 PolarHBondContact O-N 2.84Å; R65-Q67 VanDerWaalsContact O-N 3.08Å; Q67-V71 PolarHBondContact NE2-O 3.45Å |
| 68 | Y | 91.8 | Very high | 72.9 | Confident | 68 Ų | 68 | 129.1 Ų | 129.1 | 27% | 0.267 | 59% | 0.587 | S | S | . | * | P | Polyproline II helix | trans | -61.1 | 141.5 | 174.3 | -64.2 | -74.7 | 0 | 0 | 0 | 110.6 | R66 G70 V71 A100 V101 A104 N122 F123 | R66-Y68 PolarHBondContact O-N 2.81Å; Y68-G70 PolarHBondContact O-N 2.69Å; Y68-V71 PolarHBondContact O-N 2.68Å; Y68-A100 HydrophobicContact CD2-CB 3.79Å; Y68-A100 HydrophobicContact CE2-CB 3.72Å; Y68-V101 HydrophobicContact CE2-CG2 4.21Å; Y68-A104 HydrophobicContact CD1-CB 3.78Å; Y68-A104 HydrophobicContact CD2-CB 4.03Å; Y68-A104 HydrophobicContact CE1-CB 4.44Å; Y68-A104 HydrophobicContact CG-CB 3.54Å; Y68-N122 HydrophobicContact CD1-CB 4.11Å; Y68-F123 HydrophobicContact CD1-CZ 4.24Å; Y68-F123 AromaticContact CE1-CE1 3.96Å; Y68-F123 HydrophobicContact CE1-CE1 3.96Å; Y68-F123 AromaticContact CE1-CZ 3.76Å; Y68-F123 HydrophobicContact CE1-CZ 3.76Å |
| 69 | R | 91.7 | Very high | 75.5 | Confident | 91 Ų | 91 | 126 Ų | 126 | 34% | 0.343 | 57% | 0.57 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62 | 136.5 | 177.6 | -63.6 | 171.9 | 57.8 | -115.6 | 0.6 | 109.3 | V71 Y107 R120 N122 | R69-V71 PolarHBondContact O-N 3.12Å; R69-Y107 HydrophobicContact CB-CE1 4.08Å; R69-Y107 WeakPolarHBondContact O-CD1 3.46Å; R69-Y107 WeakPolarHBondContact O-CE1 3.16Å; R69-R120 PolarHBondContact NH1-O 3.13Å; R69-N122 VanDerWaalsContact CB-OD1 3.27Å; R69-N122 WeakPolarHBondContact CB-OD1 3.47Å; R69-N122 PolarHBondContact N-OD1 2.65Å; R69-N122 PolarHBondContact O-ND2 3.18Å; R69-N122 VanDerWaalsContact O-ND2 3.11Å |
| 70 | G | 92.2 | Very high | 78.1 | Confident | 28 Ų | 28 | 118.2 Ų | 118.2 | 29% | 0.289 | 53% | 0.534 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.3 | 0.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y68 A81 E82 Y107 | Y68-G70 PolarHBondContact O-N 2.69Å; G70-A81 WeakPolarHBondContact O-CA 3.49Å; G70-E82 PolarHBondContact O-N 2.79Å; G70-Y107 VanDerWaalsContact CA-CE2 3.47Å |
| 71 | V | 94.7 | Very high | 80.4 | Confident | 10 Ų | 10 | 109 Ų | 109 | 6% | 0.061 | 49% | 0.491 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 142 | 176.5 | -176.3 | 0 | 0 | 0 | 0 | 109 | Q67 Y68 R69 W79 V80 A103 A104 | Q67-V71 PolarHBondContact NE2-O 3.45Å; Y68-V71 PolarHBondContact O-N 2.68Å; R69-V71 PolarHBondContact O-N 3.12Å; V71-W79 HydrophobicContact CG1-CB 4.15Å; V71-W79 HydrophobicContact CG1-CD2 4.48Å; V71-W79 HydrophobicContact CG1-CE3 3.69Å; V71-V80 WeakPolarHBondContact CA-O 3.42Å; V71-A103 HydrophobicContact CB-CB 4.35Å; V71-A103 HydrophobicContact CG1-CB 3.65Å; V71-A103 HydrophobicContact CG2-CB 3.76Å; V71-A104 HydrophobicContact CG2-CB 3.94Å |
| 72 | R | 93.6 | Very high | 82.7 | Confident | 89 Ų | 89 | 102.8 Ų | 102.8 | 34% | 0.336 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 142.8 | 169.5 | 61.2 | 179.8 | -179.7 | 73 | 0.8 | 111.2 | V80 E82 | R72-V80 HydrophobicContact CG-CB 4.06Å; R72-V80 PolarHBondContact N-O 2.93Å; R72-V80 PolarHBondContact O-N 3.36Å; R72-E82 IonicContact CZ-OE2 2.85Å; R72-E82 IonicContact NE-OE2 2.63Å; R72-E82 PolarHBondContact NE-OE2 2.91Å; R72-E82 VanDerWaalsContact NE-OE2 3.12Å; R72-E82 IonicContact NH2-OE2 3.05Å; R72-E82 PolarHBondContact NH2-OE2 3.33Å |
| 73 | M | 93.3 | Very high | 85.1 | Confident | 120 Ų | 120 | 95.1 Ų | 95.1 | 59% | 0.591 | 42% | 0.424 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 126 | 172.1 | -167.6 | 168.3 | 67.2 | 0 | 0 | 109.6 | W79 | M73-W79 HydrophobicContact CB-CD2 4.41Å; M73-W79 HydrophobicContact CB-CE3 3.93Å; M73-W79 HydrophobicContact CB-CH2 4.25Å; M73-W79 HydrophobicContact CB-CZ3 3.86Å; M73-W79 HydrophobicContact CG-CD2 4.45Å; M73-W79 HydrophobicContact CG-CE3 4.44Å; M73-W79 HydrophobicContact CG-CH2 4.45Å; M73-W79 HydrophobicContact CG-CZ2 4.42Å; M73-W79 HydrophobicContact CG-CZ3 4.46Å; M73-W79 HydrophobicContact SD-CH2 3.84Å; M73-W79 HydrophobicContact SD-CZ2 3.68Å; M73-W79 HydrophobicContact SD-CZ3 4.4Å |
| 74 | R | 93.1 | Very high | 87.3 | Confident | 125 Ų | 125 | 95.9 Ų | 95.9 | 47% | 0.472 | 42% | 0.421 | S | S | . | . | trans | -88.6 | 155.6 | 172.3 | -172.5 | 179.2 | -82.1 | 146.9 | -8.5 | 109.3 | W76 G77 K78 | R74-W76 HydrophobicContact CG-CB 4.41Å; R74-W76 PolarHBondContact O-N 3.27Å; R74-G77 PolarHBondContact O-N 3.2Å; R74-K78 PolarHBondContact N-O 2.64Å | ||
| 75 | K | 92 | Very high | 89.1 | Confident | 220 Ų | 220 | 92.4 Ų | 92.4 | 96% | 0.957 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | -22.2 | 171.9 | 67.1 | 175.1 | -177.9 | 175.8 | 0 | 115.1 | G77 | K75-G77 PolarHBondContact O-N 3.17Š|
| 76 | W | 88 | Confident | 90.1 | Very high | 203 Ų | 203 | 83.9 Ų | 83.9 | 77% | 0.769 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -4 | 173.8 | -177.1 | -112.3 | 0 | 0 | 0 | 113.6 | R74 K78 | R74-W76 HydrophobicContact CG-CB 4.41Å; R74-W76 PolarHBondContact O-N 3.27Å; W76-K78 VanDerWaalsContact C-N 3.34Å; W76-K78 VanDerWaalsContact CD1-CG 3.5Å; W76-K78 PolarHBondContact O-N 3.29Å |
| 77 | G | 90.6 | Very high | 91 | Very high | 47 Ų | 47 | 83.3 Ų | 83.3 | 49% | 0.485 | 38% | 0.38 | S | S | . | . | S | Bend | trans | 79.3 | 13.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | R74 K75 | R74-G77 PolarHBondContact O-N 3.2Å; K75-G77 PolarHBondContact O-N 3.17Å |
| 78 | K | 93.5 | Very high | 91 | Very high | 85 Ų | 85 | 83.4 Ų | 83.4 | 37% | 0.37 | 38% | 0.379 | S | S | . | . | trans | -102.5 | 141.8 | 172.9 | -63.3 | -67.3 | -175.5 | 179.8 | 0 | 111.1 | R74 W76 | R74-K78 PolarHBondContact N-O 2.64Å; W76-K78 VanDerWaalsContact C-N 3.34Å; W76-K78 VanDerWaalsContact CD1-CG 3.5Å; W76-K78 PolarHBondContact O-N 3.29Å | ||
| 79 | W | 94.9 | Very high | 90.7 | Very high | 56 Ų | 56 | 91.4 Ų | 91.4 | 21% | 0.212 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 128.1 | 174 | -59.2 | 88.6 | 0 | 0 | 0 | 108.8 | V71 M73 S96 Y97 T99 A100 A103 | V71-W79 HydrophobicContact CG1-CB 4.15Å; V71-W79 HydrophobicContact CG1-CD2 4.48Å; V71-W79 HydrophobicContact CG1-CE3 3.69Å; M73-W79 HydrophobicContact CB-CD2 4.41Å; M73-W79 HydrophobicContact CB-CE3 3.93Å; M73-W79 HydrophobicContact CB-CH2 4.25Å; M73-W79 HydrophobicContact CB-CZ3 3.86Å; M73-W79 HydrophobicContact CG-CD2 4.45Å; M73-W79 HydrophobicContact CG-CE3 4.44Å; M73-W79 HydrophobicContact CG-CH2 4.45Å; M73-W79 HydrophobicContact CG-CZ2 4.42Å; M73-W79 HydrophobicContact CG-CZ3 4.46Å; M73-W79 HydrophobicContact SD-CH2 3.84Å; M73-W79 HydrophobicContact SD-CZ2 3.68Å; M73-W79 HydrophobicContact SD-CZ3 4.4Å; W79-S96 CarbonylContact O-C 3.5Å; W79-S96 VanDerWaalsContact O-CA 3.3Å; W79-S96 WeakPolarHBondContact O-CA 3.19Å; W79-Y97 PolarHBondContact N-O 2.88Å; W79-Y97 PolarHBondContact O-N 2.94Å; W79-T99 VanDerWaalsContact CD1-C 3.41Å; W79-A100 HydrophobicContact CD2-CB 3.58Å; W79-A100 HydrophobicContact CE3-CB 3.7Å; W79-A100 HydrophobicContact CG-CB 4.16Å; W79-A100 HydrophobicContact CH2-CB 3.94Å; W79-A100 HydrophobicContact CZ2-CB 3.85Å; W79-A100 HydrophobicContact CZ3-CB 3.87Å; W79-A103 HydrophobicContact CB-CB 3.92Å |
| 80 | V | 95.2 | Very high | 90.5 | Very high | 2 Ų | 2 | 88.8 Ų | 88.8 | 1% | 0.012 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 133.9 | -178.6 | -177.2 | 0 | 0 | 0 | 0 | 109.4 | V71 R72 | V71-V80 WeakPolarHBondContact CA-O 3.42Å; R72-V80 HydrophobicContact CG-CB 4.06Å; R72-V80 PolarHBondContact N-O 2.93Å; R72-V80 PolarHBondContact O-N 3.36Å |
| 81 | A | 96.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 94 Ų | 94 | 0% | 0 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 130.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | G70 L94 G95 Y97 A103 A106 | G70-A81 WeakPolarHBondContact O-CA 3.49Å; A81-L94 HydrophobicContact CB-CB 4.07Å; A81-L94 HydrophobicContact CB-CD1 4.37Å; A81-L94 WeakPolarHBondContact O-CB 3.16Å; A81-L94 PolarHBondContact O-N 3.3Å; A81-G95 PolarHBondContact N-O 2.88Å; A81-G95 VanDerWaalsContact N-O 3.09Å; A81-G95 PolarHBondContact O-N 2.6Å; A81-Y97 HydrophobicContact CB-CE2 4.14Å; A81-A103 HydrophobicContact CB-CB 4.21Å; A81-A103 WeakPolarHBondContact CB-O 3.47Å; A81-A106 HydrophobicContact CB-CB 4.48Å |
| 82 | E | 94.3 | Very high | 90.4 | Very high | 42 Ų | 42 | 93.8 Ų | 93.8 | 20% | 0.196 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 150.7 | 174.6 | 62.5 | -176.3 | -116 | 0 | 0 | 110.3 | G70 R72 R91 I92 Y107 | G70-E82 PolarHBondContact O-N 2.79Å; R72-E82 IonicContact CZ-OE2 2.85Å; R72-E82 IonicContact NE-OE2 2.63Å; R72-E82 PolarHBondContact NE-OE2 2.91Å; R72-E82 VanDerWaalsContact NE-OE2 3.12Å; R72-E82 IonicContact NH2-OE2 3.05Å; R72-E82 PolarHBondContact NH2-OE2 3.33Å; E82-R91 IonicContact OE1-CZ 3.3Å; E82-R91 IonicContact OE1-NH1 3.54Å; E82-R91 PolarHBondContact OE1-NH1 2.63Å; E82-I92 WeakPolarHBondContact CA-O 3.09Å; E82-Y107 WeakPolarHBondContact O-CD2 3.48Å; E82-Y107 WeakPolarHBondContact O-CE2 3.42Å |
| 83 | I | 93.1 | Very high | 90.4 | Very high | 7 Ų | 7 | 97 Ų | 97 | 4% | 0.036 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 143.5 | 178.2 | -168.3 | 156 | 0 | 0 | 0 | 111.5 | I92 L94 Y107 A110 V111 L114 | I83-I92 HydrophobicContact CG2-CB 3.71Å; I83-I92 HydrophobicContact CG2-CD1 4.14Å; I83-I92 HydrophobicContact CG2-CG1 4.31Å; I83-I92 HydrophobicContact CG2-CG2 4.39Å; I83-I92 PolarHBondContact N-O 2.99Å; I83-I92 PolarHBondContact O-N 2.91Å; I83-L94 HydrophobicContact CB-CD1 4.21Å; I83-L94 HydrophobicContact CG2-CD1 4.12Å; I83-L94 HydrophobicContact CG2-CD2 4.06Å; I83-L94 HydrophobicContact CG2-CG 4.25Å; I83-Y107 HydrophobicContact CB-CD2 4.24Å; I83-Y107 HydrophobicContact CB-CE2 3.91Å; I83-Y107 HydrophobicContact CD1-CD2 4.4Å; I83-Y107 HydrophobicContact CD1-CE2 3.92Å; I83-Y107 HydrophobicContact CG1-CE2 3.89Å; I83-A110 HydrophobicContact CD1-CB 4.03Å; I83-A110 HydrophobicContact CG2-CB 4.14Å; I83-V111 HydrophobicContact CD1-CB 4.21Å; I83-V111 HydrophobicContact CD1-CG2 3.48Å; I83-V111 VanDerWaalsContact CD1-CG2 3.48Å; I83-L114 HydrophobicContact CD1-CD1 3.45Å; I83-L114 VanDerWaalsContact CD1-CD1 3.45Å; I83-L114 HydrophobicContact CG1-CD1 3.74Å; I83-L114 HydrophobicContact CG2-CD1 4.21Å |
| 84 | R | 91.9 | Very high | 90.5 | Very high | 162 Ų | 162 | 91.3 Ų | 91.3 | 61% | 0.611 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 123.8 | 170.3 | -62.3 | -171.7 | -174.1 | -177.4 | 10.3 | 108.1 | R91 | R84-R91 HydrophobicContact CG-CG 4.23Å |
| 85 | E | 84.6 | Confident | 90.6 | Very high | 23 Ų | 23 | 85.8 Ų | 85.8 | 11% | 0.107 | 38% | 0.378 | C | S | . | . | trans | -76.3 | 140.6 | 174.3 | -59.3 | -178.3 | -110.4 | 0 | 0 | 109.6 | K88 I92 L114 | E85-K88 HydrophobicContact CB-CB 4.13Å; E85-K88 HydrophobicContact CB-CD 4.22Å; E85-K88 HydrophobicContact CB-CG 4.25Å; E85-K88 VanDerWaalsContact CD-NZ 3.32Å; E85-K88 HydrophobicContact CG-CD 4.49Å; E85-K88 PolarHBondContact O-N 3.01Å; E85-K88 WeakPolarHBondContact OE1-CD 3.29Å; E85-K88 IonicContact OE1-NZ 3.2Å; E85-K88 PolarHBondContact OE1-NZ 3.17Å; E85-K88 WeakPolarHBondContact OE2-CE 3.45Å; E85-K88 IonicContact OE2-NZ 2.71Å; E85-K88 PolarHBondContact OE2-NZ 3.31Å; E85-I92 HydrophobicContact CG-CD1 3.85Å; E85-I92 HydrophobicContact CG-CG1 4.44Å; E85-I92 WeakPolarHBondContact OE1-CD1 3.17Å; E85-L114 HydrophobicContact CG-CD1 3.84Å; E85-L114 HydrophobicContact CG-CD2 3.79Å | ||
| 86 | P | 78.5 | Confident | 90.8 | Very high | 73 Ų | 73 | 78.4 Ų | 78.4 | 47% | 0.474 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | 144.3 | 165.8 | 29.2 | -32.5 | 0 | 0 | 0 | 108.7 | K88 | P86-K88 PolarHBondContact O-N 2.85Š|
| 87 | H | 82.4 | Confident | 91.2 | Very high | 198 Ų | 198 | 69 Ų | 69 | 92% | 0.917 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.5 | -8.5 | -178 | -41.8 | -71.9 | 0 | 0 | 0 | 117.1 | ||
| 88 | K | 84.9 | Confident | 91.3 | Very high | 103 Ų | 103 | 68.3 Ų | 68.3 | 45% | 0.448 | 31% | 0.308 | S | S | . | . | trans | -112.7 | 140.6 | 174.3 | -54.6 | -174.4 | -172 | 159.8 | 0 | 111.1 | E85 P86 | E85-K88 HydrophobicContact CB-CB 4.13Å; E85-K88 HydrophobicContact CB-CD 4.22Å; E85-K88 HydrophobicContact CB-CG 4.25Å; E85-K88 VanDerWaalsContact CD-NZ 3.32Å; E85-K88 HydrophobicContact CG-CD 4.49Å; E85-K88 PolarHBondContact O-N 3.01Å; E85-K88 WeakPolarHBondContact OE1-CD 3.29Å; E85-K88 IonicContact OE1-NZ 3.2Å; E85-K88 PolarHBondContact OE1-NZ 3.17Å; E85-K88 WeakPolarHBondContact OE2-CE 3.45Å; E85-K88 IonicContact OE2-NZ 2.71Å; E85-K88 PolarHBondContact OE2-NZ 3.31Å; P86-K88 PolarHBondContact O-N 2.85Å | ||
| 89 | R | 87.1 | Confident | 91.3 | Very high | 236 Ų | 236 | 65 Ų | 65 | 89% | 0.891 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -75.6 | -18.5 | 171.9 | -169.5 | 173.6 | -179.3 | -177.3 | 0.9 | 112.1 | ||
| 90 | T | 86.6 | Confident | 91.3 | Very high | 36 Ų | 36 | 63.1 Ų | 63.1 | 22% | 0.221 | 29% | 0.292 | C | S | . | . | trans | -74.1 | 151.8 | -174.1 | 57.9 | 0 | 0 | 0 | 0 | 111.9 | N241 | T90-N241 HydrophobicContact CG2-CB 4.27Å; T90-N241 WeakPolarHBondContact CG2-OD1 3.48Å | ||
| 91 | R | 91.9 | Very high | 91.2 | Very high | 137 Ų | 137 | 64.6 Ų | 64.6 | 52% | 0.517 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 141.5 | 171.3 | -54.8 | -166.4 | -172.8 | -165.6 | 15 | 109.2 | E82 R84 | E82-R91 IonicContact OE1-CZ 3.3Å; E82-R91 IonicContact OE1-NH1 3.54Å; E82-R91 PolarHBondContact OE1-NH1 2.63Å; R84-R91 HydrophobicContact CG-CG 4.23Å |
| 92 | I | 92.2 | Very high | 91.2 | Very high | 5 Ų | 5 | 64.6 Ų | 64.6 | 3% | 0.026 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 114.5 | 170.5 | -54.5 | 177.3 | 0 | 0 | 0 | 107.3 | E82 I83 E85 L94 A159 R163 | E82-I92 WeakPolarHBondContact CA-O 3.09Å; I83-I92 HydrophobicContact CG2-CB 3.71Å; I83-I92 HydrophobicContact CG2-CD1 4.14Å; I83-I92 HydrophobicContact CG2-CG1 4.31Å; I83-I92 HydrophobicContact CG2-CG2 4.39Å; I83-I92 PolarHBondContact N-O 2.99Å; I83-I92 PolarHBondContact O-N 2.91Å; E85-I92 HydrophobicContact CG-CD1 3.85Å; E85-I92 HydrophobicContact CG-CG1 4.44Å; E85-I92 WeakPolarHBondContact OE1-CD1 3.17Å; I92-L94 HydrophobicContact CG2-CD2 3.8Å; I92-A159 HydrophobicContact CD1-CB 3.7Å; I92-A159 HydrophobicContact CG1-CB 4.13Å; I92-R163 HydrophobicContact CG2-CG 3.12Å |
| 93 | W | 94.4 | Very high | 91.3 | Very high | 158 Ų | 158 | 62.6 Ų | 62.6 | 60% | 0.598 | 29% | 0.291 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 121.7 | 168.4 | 176.4 | 47.3 | 0 | 0 | 0 | 109.3 | G95 R163 | W93-G95 PolarHBondContact NE1-O 3.33Å; W93-R163 WeakPolarHBondContact O-CD 3.38Å; W93-R163 WeakPolarHBondContact O-CG 3.02Å |
| 94 | L | 95.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | -25.9 | -175.3 | -58 | 175.4 | 0 | 0 | 0 | 112.2 | A81 I83 I92 Y97 Y107 A110 R163 A166 I167 | A81-L94 HydrophobicContact CB-CB 4.07Å; A81-L94 HydrophobicContact CB-CD1 4.37Å; A81-L94 WeakPolarHBondContact O-CB 3.16Å; A81-L94 PolarHBondContact O-N 3.3Å; I83-L94 HydrophobicContact CB-CD1 4.21Å; I83-L94 HydrophobicContact CG2-CD1 4.12Å; I83-L94 HydrophobicContact CG2-CD2 4.06Å; I83-L94 HydrophobicContact CG2-CG 4.25Å; I92-L94 HydrophobicContact CG2-CD2 3.8Å; L94-Y97 PolarHBondContact O-OH 2.74Å; L94-Y107 HydrophobicContact CD1-CD2 4.21Å; L94-A110 HydrophobicContact CD1-CB 3.52Å; L94-A110 HydrophobicContact CD2-CB 3.69Å; L94-A110 HydrophobicContact CG-CB 4.26Å; L94-R163 HydrophobicContact CD2-CG 4.38Å; L94-A166 HydrophobicContact CB-CB 4.25Å; L94-A166 HydrophobicContact CD2-CB 3.87Å; L94-A166 HydrophobicContact CG-CB 4.45Å; L94-I167 WeakPolarHBondContact O-CG1 3.39Å |
| 95 | G | 95.6 | Very high | 91.5 | Very high | 9 Ų | 9 | 58.5 Ų | 58.5 | 9% | 0.093 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 151.1 | -179.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | A81 W93 | A81-G95 PolarHBondContact N-O 2.88Å; A81-G95 VanDerWaalsContact N-O 3.09Å; A81-G95 PolarHBondContact O-N 2.6Å; W93-G95 PolarHBondContact NE1-O 3.33Å |
| 96 | S | 96.1 | Very high | 92.1 | Very high | 64 Ų | 64 | 57.4 Ų | 57.4 | 45% | 0.448 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 133.1 | 171.7 | 60 | 0 | 0 | 0 | 0 | 109 | W79 | W79-S96 CarbonylContact O-C 3.5Å; W79-S96 VanDerWaalsContact O-CA 3.3Å; W79-S96 WeakPolarHBondContact O-CA 3.19Å |
| 97 | Y | 95.8 | Very high | 92.9 | Very high | 6 Ų | 6 | 55.2 Ų | 55.2 | 2% | 0.024 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 156.1 | -169.5 | -53.9 | -79.8 | 0 | 0 | 0 | 110.3 | W79 A81 L94 T99 A102 A103 A106 A166 G170 D174 | W79-Y97 PolarHBondContact N-O 2.88Å; W79-Y97 PolarHBondContact O-N 2.94Å; A81-Y97 HydrophobicContact CB-CE2 4.14Å; L94-Y97 PolarHBondContact O-OH 2.74Å; Y97-T99 VanDerWaalsContact C-N 3.33Å; Y97-A102 HydrophobicContact CD1-CB 4.05Å; Y97-A102 HydrophobicContact CG-CB 3.96Å; Y97-A103 HydrophobicContact CD2-CB 3.65Å; Y97-A103 HydrophobicContact CE2-CB 4.42Å; Y97-A103 HydrophobicContact CG-CB 4.39Å; Y97-A106 HydrophobicContact CE2-CB 3.71Å; Y97-A106 VanDerWaalsContact OH-CB 3.26Å; Y97-A106 WeakPolarHBondContact OH-CB 3.41Å; Y97-A166 PolarHBondContact OH-O 3.48Å; Y97-G170 VanDerWaalsContact CE1-CA 3.48Å; Y97-D174 WeakPolarHBondContact CB-OD1 3.28Å; Y97-D174 HydrophobicContact CD1-CB 4.08Å |
| 98 | A | 93 | Very high | 93.5 | Very high | 33 Ų | 33 | 46.2 Ų | 46.2 | 27% | 0.273 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -74.1 | -28.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | D174 | A98-D174 WeakPolarHBondContact CA-OD1 3.19Å; A98-D174 WeakPolarHBondContact CB-OD1 3.23Å; A98-D174 PolarHBondContact N-OD1 2.82Å |
| 99 | T | 93.5 | Very high | 93.9 | Very high | 14 Ų | 14 | 42.4 Ų | 42.4 | 9% | 0.086 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -112.5 | 149.7 | -179.6 | 77 | 0 | 0 | 0 | 0 | 113.4 | W79 Y97 V101 A102 A103 D174 Q177 M181 | W79-T99 VanDerWaalsContact CD1-C 3.41Å; Y97-T99 VanDerWaalsContact C-N 3.33Å; T99-V101 VanDerWaalsContact C-N 3.28Å; T99-V101 PolarHBondContact O-N 3.21Å; T99-A102 WeakPolarHBondContact OG1-CB 3.28Å; T99-A102 PolarHBondContact OG1-N 3.35Å; T99-A102 VanDerWaalsContact OG1-N 3.09Å; T99-A103 PolarHBondContact O-N 2.8Å; T99-D174 PolarHBondContact N-OD1 3.48Å; T99-Q177 HydrophobicContact CG2-CB 3.69Å; T99-Q177 PolarHBondContact OG1-OE1 3.07Å; T99-M181 HydrophobicContact CG2-SD 4.21Å |
| 100 | A | 94 | Very high | 94.2 | Very high | 18 Ų | 18 | 31.2 Ų | 31.2 | 15% | 0.149 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.8 | -34.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | Y68 W79 A103 A104 | Y68-A100 HydrophobicContact CD2-CB 3.79Å; Y68-A100 HydrophobicContact CE2-CB 3.72Å; W79-A100 HydrophobicContact CD2-CB 3.58Å; W79-A100 HydrophobicContact CE3-CB 3.7Å; W79-A100 HydrophobicContact CG-CB 4.16Å; W79-A100 HydrophobicContact CH2-CB 3.94Å; W79-A100 HydrophobicContact CZ2-CB 3.85Å; W79-A100 HydrophobicContact CZ3-CB 3.87Å; A100-A103 PolarHBondContact O-N 3.32Å; A100-A104 WeakPolarHBondContact O-CB 3.1Å; A100-A104 PolarHBondContact O-N 2.99Å |
| 101 | V | 94.1 | Very high | 94.4 | Very high | 32 Ų | 32 | 29.5 Ų | 29.5 | 19% | 0.194 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -71.7 | -42 | -178.3 | 174.6 | 0 | 0 | 0 | 0 | 111.3 | Y68 T99 A103 A104 R105 F123 V173 Q177 | Y68-V101 HydrophobicContact CE2-CG2 4.21Å; T99-V101 VanDerWaalsContact C-N 3.28Å; T99-V101 PolarHBondContact O-N 3.21Å; V101-A103 VanDerWaalsContact C-N 3.3Å; V101-A103 PolarHBondContact O-N 3.26Å; V101-A104 PolarHBondContact O-N 3.31Å; V101-R105 PolarHBondContact O-N 3.11Å; V101-F123 HydrophobicContact CG1-CE1 4.49Å; V101-F123 HydrophobicContact CG1-CZ 3.89Å; V101-V173 HydrophobicContact CG1-CG1 4.18Å; V101-Q177 VanDerWaalsContact CG1-NE2 3.34Å |
| 102 | A | 95.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -58.7 | -44.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y97 T99 A104 R105 A106 V173 D174 | Y97-A102 HydrophobicContact CD1-CB 4.05Å; Y97-A102 HydrophobicContact CG-CB 3.96Å; T99-A102 WeakPolarHBondContact OG1-CB 3.28Å; T99-A102 PolarHBondContact OG1-N 3.35Å; T99-A102 VanDerWaalsContact OG1-N 3.09Å; A102-A104 PolarHBondContact O-N 2.88Å; A102-R105 PolarHBondContact O-N 2.95Å; A102-A106 WeakPolarHBondContact O-CB 3.37Å; A102-A106 PolarHBondContact O-N 3.08Å; A102-V173 HydrophobicContact CB-CB 4.07Å; A102-V173 HydrophobicContact CB-CG1 3.91Å; A102-D174 HydrophobicContact CB-CB 3.76Å |
| 103 | A | 96.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.6 | -42.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | V71 W79 A81 Y97 T99 A100 V101 A106 Y107 | V71-A103 HydrophobicContact CB-CB 4.35Å; V71-A103 HydrophobicContact CG1-CB 3.65Å; V71-A103 HydrophobicContact CG2-CB 3.76Å; W79-A103 HydrophobicContact CB-CB 3.92Å; A81-A103 HydrophobicContact CB-CB 4.21Å; A81-A103 WeakPolarHBondContact CB-O 3.47Å; Y97-A103 HydrophobicContact CD2-CB 3.65Å; Y97-A103 HydrophobicContact CE2-CB 4.42Å; Y97-A103 HydrophobicContact CG-CB 4.39Å; T99-A103 PolarHBondContact O-N 2.8Å; A100-A103 PolarHBondContact O-N 3.32Å; V101-A103 VanDerWaalsContact C-N 3.3Å; V101-A103 PolarHBondContact O-N 3.26Å; A103-A106 PolarHBondContact O-N 3.02Å; A103-Y107 PolarHBondContact O-N 3.44Å |
| 104 | A | 95.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -66.7 | -40.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y68 V71 A100 V101 A102 Y107 D108 N122 F123 | Y68-A104 HydrophobicContact CD1-CB 3.78Å; Y68-A104 HydrophobicContact CD2-CB 4.03Å; Y68-A104 HydrophobicContact CE1-CB 4.44Å; Y68-A104 HydrophobicContact CG-CB 3.54Å; V71-A104 HydrophobicContact CG2-CB 3.94Å; A100-A104 WeakPolarHBondContact O-CB 3.1Å; A100-A104 PolarHBondContact O-N 2.99Å; V101-A104 PolarHBondContact O-N 3.31Å; A102-A104 PolarHBondContact O-N 2.88Å; A104-Y107 WeakPolarHBondContact O-CB 3.34Å; A104-Y107 PolarHBondContact O-N 2.86Å; A104-D108 PolarHBondContact O-N 2.85Å; A104-N122 HydrophobicContact CB-CB 4.42Å; A104-F123 HydrophobicContact CB-CE2 3.48Å; A104-F123 VanDerWaalsContact CB-CE2 3.48Å; A104-F123 HydrophobicContact CB-CZ 3.81Å |
| 105 | R | 94.9 | Very high | 93.5 | Very high | 84 Ų | 84 | 29.9 Ų | 29.9 | 32% | 0.317 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -67.8 | -37.8 | 176.1 | -77 | -171.2 | 163.3 | -168.4 | 4.1 | 112.6 | V101 A102 Y107 D108 T109 F123 E126 V169 V173 | V101-R105 PolarHBondContact O-N 3.11Å; A102-R105 PolarHBondContact O-N 2.95Å; R105-Y107 VanDerWaalsContact C-N 3.32Å; R105-D108 PolarHBondContact O-N 3.47Å; R105-T109 WeakPolarHBondContact O-CB 3.34Å; R105-T109 PolarHBondContact O-N 3.17Å; R105-T109 PolarHBondContact O-OG1 3.42Å; R105-F123 HydrophobicContact CB-CE2 4.45Å; R105-F123 HydrophobicContact CG-CD2 3.69Å; R105-F123 HydrophobicContact CG-CE2 3.53Å; R105-F123 HydrophobicContact CG-CZ 4.42Å; R105-E126 IonicContact CZ-OE1 3.37Å; R105-E126 IonicContact CZ-OE2 3.8Å; R105-E126 IonicContact NE-OE1 3.72Å; R105-E126 PolarHBondContact NE-OE1 3.21Å; R105-E126 IonicContact NE-OE2 3.93Å; R105-E126 PolarHBondContact NE-OE2 2.82Å; R105-E126 VanDerWaalsContact NH2-CD 3.33Å; R105-E126 IonicContact NH2-OE1 3.12Å; R105-E126 PolarHBondContact NH2-OE1 3.33Å; R105-E126 IonicContact NH2-OE2 2.75Å; R105-V169 HydrophobicContact CB-CG1 4.12Å; R105-V173 HydrophobicContact CB-CG2 4.38Å; R105-V173 VanDerWaalsContact CD-CG2 3.41Å |
| 106 | A | 95.7 | Very high | 93 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.7 | -42.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | A81 Y97 A102 A103 A110 A166 | A81-A106 HydrophobicContact CB-CB 4.48Å; Y97-A106 HydrophobicContact CE2-CB 3.71Å; Y97-A106 VanDerWaalsContact OH-CB 3.26Å; Y97-A106 WeakPolarHBondContact OH-CB 3.41Å; A102-A106 WeakPolarHBondContact O-CB 3.37Å; A102-A106 PolarHBondContact O-N 3.08Å; A103-A106 PolarHBondContact O-N 3.02Å; A106-A110 PolarHBondContact O-N 2.88Å; A106-A166 HydrophobicContact CB-CB 4.36Å; A106-A166 WeakPolarHBondContact CB-O 3.33Å; A106-A166 WeakPolarHBondContact O-CB 3.38Å |
| 107 | Y | 95.8 | Very high | 92.2 | Very high | 27 Ų | 27 | 36.4 Ų | 36.4 | 11% | 0.106 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.1 | -48 | 175 | -178.2 | -100.7 | 0 | 0 | 0 | 112.2 | R69 G70 E82 I83 L94 A103 A104 R105 T109 A110 V111 | R69-Y107 HydrophobicContact CB-CE1 4.08Å; R69-Y107 WeakPolarHBondContact O-CD1 3.46Å; R69-Y107 WeakPolarHBondContact O-CE1 3.16Å; G70-Y107 VanDerWaalsContact CA-CE2 3.47Å; E82-Y107 WeakPolarHBondContact O-CD2 3.48Å; E82-Y107 WeakPolarHBondContact O-CE2 3.42Å; I83-Y107 HydrophobicContact CB-CD2 4.24Å; I83-Y107 HydrophobicContact CB-CE2 3.91Å; I83-Y107 HydrophobicContact CD1-CD2 4.4Å; I83-Y107 HydrophobicContact CD1-CE2 3.92Å; I83-Y107 HydrophobicContact CG1-CE2 3.89Å; L94-Y107 HydrophobicContact CD1-CD2 4.21Å; A103-Y107 PolarHBondContact O-N 3.44Å; A104-Y107 WeakPolarHBondContact O-CB 3.34Å; A104-Y107 PolarHBondContact O-N 2.86Å; R105-Y107 VanDerWaalsContact C-N 3.32Å; Y107-T109 VanDerWaalsContact C-N 3.3Å; Y107-T109 PolarHBondContact O-N 2.89Å; Y107-A110 WeakPolarHBondContact O-CA 3.45Å; Y107-A110 WeakPolarHBondContact O-CB 3.47Å; Y107-A110 PolarHBondContact O-N 3.26Å; Y107-V111 HydrophobicContact CD1-CG2 3.72Å; Y107-V111 HydrophobicContact CD2-CG2 4.46Å; Y107-V111 HydrophobicContact CE1-CG2 3.33Å; Y107-V111 HydrophobicContact CE2-CG2 4.12Å; Y107-V111 HydrophobicContact CG-CG2 4.3Å; Y107-V111 WeakPolarHBondContact O-CG2 3.46Å; Y107-V111 PolarHBondContact O-N 3.42Å |
| 108 | D | 94.4 | Very high | 91.4 | Very high | 9 Ų | 9 | 41.7 Ų | 41.7 | 5% | 0.048 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.6 | -42.2 | -179.6 | -76 | -2.9 | 0 | 0 | 0 | 112.1 | A104 R105 A110 V111 F112 L121 N122 F123 | A104-D108 PolarHBondContact O-N 2.85Å; R105-D108 PolarHBondContact O-N 3.47Å; D108-A110 VanDerWaalsContact C-N 3.29Å; D108-A110 PolarHBondContact O-N 3.48Å; D108-V111 PolarHBondContact O-N 3.37Å; D108-F112 WeakPolarHBondContact O-CB 3.28Å; D108-F112 PolarHBondContact O-N 3.24Å; D108-L121 HydrophobicContact CB-CB 4.16Å; D108-L121 HydrophobicContact CB-CD1 4.25Å; D108-L121 HydrophobicContact CB-CD2 4.03Å; D108-L121 HydrophobicContact CB-CG 4.37Å; D108-L121 WeakPolarHBondContact O-CD2 3.39Å; D108-N122 PolarHBondContact OD1-N 2.96Å; D108-N122 PolarHBondContact OD1-ND2 3.47Å; D108-N122 WeakPolarHBondContact OD2-CA 3.5Å; D108-N122 WeakPolarHBondContact OD2-CB 3.41Å; D108-N122 PolarHBondContact OD2-N 2.72Å; D108-F123 VanDerWaalsContact OD2-CD2 3.23Å; D108-F123 WeakPolarHBondContact OD2-CD2 3.13Å; D108-F123 PolarHBondContact OD2-N 3.41Å |
| 109 | T | 93.6 | Very high | 91.1 | Very high | 23 Ų | 23 | 40.4 Ų | 40.4 | 14% | 0.141 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -55.3 | -46 | 172.4 | -57.4 | 0 | 0 | 0 | 0 | 111.1 | R105 Y107 F112 Y113 K165 V169 | R105-T109 WeakPolarHBondContact O-CB 3.34Å; R105-T109 PolarHBondContact O-N 3.17Å; R105-T109 PolarHBondContact O-OG1 3.42Å; Y107-T109 VanDerWaalsContact C-N 3.3Å; Y107-T109 PolarHBondContact O-N 2.89Å; T109-F112 PolarHBondContact O-N 2.74Å; T109-Y113 HydrophobicContact CG2-CD2 3.95Å; T109-Y113 HydrophobicContact CG2-CE2 3.56Å; T109-Y113 WeakPolarHBondContact O-CD2 3.48Å; T109-Y113 PolarHBondContact O-N 3.47Å; T109-K165 HydrophobicContact CG2-CB 4.36Å; T109-K165 HydrophobicContact CG2-CG 3.93Å; T109-V169 HydrophobicContact CG2-CG2 4.21Å |
| 110 | A | 93.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -68.3 | -40.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | I83 L94 A106 Y107 D108 F112 Y113 L114 I162 A166 | I83-A110 HydrophobicContact CD1-CB 4.03Å; I83-A110 HydrophobicContact CG2-CB 4.14Å; L94-A110 HydrophobicContact CD1-CB 3.52Å; L94-A110 HydrophobicContact CD2-CB 3.69Å; L94-A110 HydrophobicContact CG-CB 4.26Å; A106-A110 PolarHBondContact O-N 2.88Å; Y107-A110 WeakPolarHBondContact O-CA 3.45Å; Y107-A110 WeakPolarHBondContact O-CB 3.47Å; Y107-A110 PolarHBondContact O-N 3.26Å; D108-A110 VanDerWaalsContact C-N 3.29Å; D108-A110 PolarHBondContact O-N 3.48Å; A110-F112 VanDerWaalsContact C-N 3.32Å; A110-F112 PolarHBondContact O-N 3.26Å; A110-Y113 PolarHBondContact O-N 3.18Å; A110-L114 WeakPolarHBondContact O-CG 3.47Å; A110-L114 PolarHBondContact O-N 2.8Å; A110-L114 VanDerWaalsContact O-N 3.09Å; A110-I162 HydrophobicContact CB-CG2 3.63Å; A110-A166 HydrophobicContact CB-CB 4.43Å |
| 111 | V | 92 | Very high | 90.7 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63 | -42.1 | 176.6 | -177.2 | 0 | 0 | 0 | 0 | 110.4 | I83 Y107 D108 Y113 L114 R115 A119 L121 | I83-V111 HydrophobicContact CD1-CB 4.21Å; I83-V111 HydrophobicContact CD1-CG2 3.48Å; I83-V111 VanDerWaalsContact CD1-CG2 3.48Å; Y107-V111 HydrophobicContact CD1-CG2 3.72Å; Y107-V111 HydrophobicContact CD2-CG2 4.46Å; Y107-V111 HydrophobicContact CE1-CG2 3.33Å; Y107-V111 HydrophobicContact CE2-CG2 4.12Å; Y107-V111 HydrophobicContact CG-CG2 4.3Å; Y107-V111 WeakPolarHBondContact O-CG2 3.46Å; Y107-V111 PolarHBondContact O-N 3.42Å; D108-V111 PolarHBondContact O-N 3.37Å; V111-Y113 VanDerWaalsContact C-N 3.3Å; V111-Y113 PolarHBondContact O-N 3.03Å; V111-L114 PolarHBondContact O-N 3.09Å; V111-L114 VanDerWaalsContact O-N 3.16Å; V111-R115 HydrophobicContact CG1-CG 4.27Å; V111-R115 PolarHBondContact O-N 3.47Å; V111-A119 HydrophobicContact CG1-CB 3.72Å; V111-L121 HydrophobicContact CB-CD2 3.9Å; V111-L121 HydrophobicContact CG1-CD2 4.08Å |
| 112 | F | 90.6 | Very high | 90.5 | Very high | 46 Ų | 46 | 49.8 Ų | 49.8 | 20% | 0.202 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -57.4 | -43.8 | 177.5 | 176.6 | -94.8 | 0 | 0 | 0 | 111.5 | D108 T109 A110 L114 G116 R117 L130 | D108-F112 WeakPolarHBondContact O-CB 3.28Å; D108-F112 PolarHBondContact O-N 3.24Å; T109-F112 PolarHBondContact O-N 2.74Å; A110-F112 VanDerWaalsContact C-N 3.32Å; A110-F112 PolarHBondContact O-N 3.26Å; F112-L114 PolarHBondContact O-N 3.12Å; F112-G116 WeakPolarHBondContact O-CA 3.37Å; F112-G116 PolarHBondContact O-N 3.46Å; F112-R117 HydrophobicContact CE2-CB 4.48Å; F112-R117 HydrophobicContact CE2-CG 3.86Å; F112-R117 HydrophobicContact CZ-CG 4.21Å; F112-L130 HydrophobicContact CE1-CD2 3.9Å; F112-L130 HydrophobicContact CE2-CD2 3.57Å; F112-L130 HydrophobicContact CZ-CD2 3.09Å |
| 113 | Y | 89 | Confident | 90.2 | Very high | 83 Ų | 83 | 51.5 Ų | 51.5 | 33% | 0.325 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -74.3 | -23.5 | 177.9 | -70.4 | -58.2 | 0 | 0 | 0 | 114.6 | T109 A110 V111 L157 K165 | T109-Y113 HydrophobicContact CG2-CD2 3.95Å; T109-Y113 HydrophobicContact CG2-CE2 3.56Å; T109-Y113 WeakPolarHBondContact O-CD2 3.48Å; T109-Y113 PolarHBondContact O-N 3.47Å; A110-Y113 PolarHBondContact O-N 3.18Å; V111-Y113 VanDerWaalsContact C-N 3.3Å; V111-Y113 PolarHBondContact O-N 3.03Å; Y113-L157 HydrophobicContact CD1-CD1 3.06Å; Y113-L157 HydrophobicContact CD1-CG 4.48Å; Y113-L157 HydrophobicContact CD2-CD1 4.35Å; Y113-L157 HydrophobicContact CE1-CD1 3.52Å; Y113-L157 HydrophobicContact CG-CD1 3.53Å; Y113-K165 HydrophobicContact CE2-CB 3.94Å; Y113-K165 HydrophobicContact CE2-CG 3.55Å |
| 114 | L | 88.5 | Confident | 89.4 | Confident | 45 Ų | 45 | 55.1 Ų | 55.1 | 24% | 0.236 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -85.1 | -35.4 | 176.6 | -71.8 | 178 | 0 | 0 | 0 | 113.8 | I83 E85 A110 V111 F112 I162 | I83-L114 HydrophobicContact CD1-CD1 3.45Å; I83-L114 VanDerWaalsContact CD1-CD1 3.45Å; I83-L114 HydrophobicContact CG1-CD1 3.74Å; I83-L114 HydrophobicContact CG2-CD1 4.21Å; E85-L114 HydrophobicContact CG-CD1 3.84Å; E85-L114 HydrophobicContact CG-CD2 3.79Å; A110-L114 WeakPolarHBondContact O-CG 3.47Å; A110-L114 PolarHBondContact O-N 2.8Å; A110-L114 VanDerWaalsContact O-N 3.09Å; V111-L114 PolarHBondContact O-N 3.09Å; V111-L114 VanDerWaalsContact O-N 3.16Å; F112-L114 PolarHBondContact O-N 3.12Å; L114-I162 HydrophobicContact CD2-CD1 3.42Å; L114-I162 VanDerWaalsContact CD2-CD1 3.42Å; L114-I162 HydrophobicContact CG-CD1 3.93Å |
| 115 | R | 87.1 | Confident | 88.5 | Confident | 135 Ų | 135 | 62 Ų | 62 | 51% | 0.509 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -112.9 | -11.9 | -173.4 | -61.6 | -176.3 | -177.1 | -173.8 | -3.6 | 113.6 | V111 A119 | V111-R115 HydrophobicContact CG1-CG 4.27Å; V111-R115 PolarHBondContact O-N 3.47Å; R115-A119 HydrophobicContact CB-CB 4.09Å |
| 116 | G | 84.7 | Confident | 87.2 | Confident | 29 Ų | 29 | 62.3 Ų | 62.3 | 30% | 0.299 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | 76.4 | -157.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | F112 S118 A119 | F112-G116 WeakPolarHBondContact O-CA 3.37Å; F112-G116 PolarHBondContact O-N 3.46Å; G116-S118 VanDerWaalsContact C-N 3.26Å; G116-S118 PolarHBondContact O-N 2.82Å; G116-A119 WeakPolarHBondContact O-CB 3.27Å; G116-A119 PolarHBondContact O-N 2.91Å; G116-A119 VanDerWaalsContact O-N 3.12Å |
| 117 | R | 78.3 | Confident | 85.5 | Confident | 180 Ų | 180 | 64.6 Ų | 64.6 | 68% | 0.679 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -66.7 | -22.6 | -173.8 | -65.4 | 151.4 | -172.4 | -175.7 | -1.5 | 113.9 | F112 A119 | F112-R117 HydrophobicContact CE2-CB 4.48Å; F112-R117 HydrophobicContact CE2-CG 3.86Å; F112-R117 HydrophobicContact CZ-CG 4.21Å; R117-A119 PolarHBondContact O-N 3.27Å |
| 118 | S | 80.6 | Confident | 83.4 | Confident | 117 Ų | 117 | 67.8 Ų | 67.8 | 82% | 0.818 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | -78.5 | 5.4 | 174.8 | -175 | 0 | 0 | 0 | 0 | 113.4 | G116 R120 | G116-S118 VanDerWaalsContact C-N 3.26Å; G116-S118 PolarHBondContact O-N 2.82Å; S118-R120 PolarHBondContact O-N 3.46Å |
| 119 | A | 86.1 | Confident | 81.2 | Confident | 7 Ų | 7 | 72.8 Ų | 72.8 | 6% | 0.058 | 37% | 0.373 | C | S | . | . | trans | -62.7 | 129.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | V111 R115 G116 R117 L121 | V111-A119 HydrophobicContact CG1-CB 3.72Å; R115-A119 HydrophobicContact CB-CB 4.09Å; G116-A119 WeakPolarHBondContact O-CB 3.27Å; G116-A119 PolarHBondContact O-N 2.91Å; G116-A119 VanDerWaalsContact O-N 3.12Å; R117-A119 PolarHBondContact O-N 3.27Å; A119-L121 HydrophobicContact CB-CD2 3.65Å; A119-L121 HydrophobicContact CB-CG 4.28Å; A119-L121 PolarHBondContact O-N 3.34Å | ||
| 120 | R | 86.8 | Confident | 79.2 | Confident | 197 Ų | 197 | 76 Ų | 76 | 74% | 0.743 | 39% | 0.389 | S | S | * | . | trans | -74.3 | 113.3 | 164.2 | -64.5 | 179.6 | 68.2 | -173.4 | 3.2 | 108.4 | R69 S118 | R69-R120 PolarHBondContact NH1-O 3.13Å; S118-R120 PolarHBondContact O-N 3.46Å | ||
| 121 | L | 91.4 | Very high | 77 | Confident | 33 Ų | 33 | 78.6 Ų | 78.6 | 17% | 0.173 | 41% | 0.411 | C | S | . | . | trans | -104.9 | 167.5 | -179.8 | -55.4 | -171 | 0 | 0 | 0 | 111.1 | D108 V111 A119 I127 | D108-L121 HydrophobicContact CB-CB 4.16Å; D108-L121 HydrophobicContact CB-CD1 4.25Å; D108-L121 HydrophobicContact CB-CD2 4.03Å; D108-L121 HydrophobicContact CB-CG 4.37Å; D108-L121 WeakPolarHBondContact O-CD2 3.39Å; V111-L121 HydrophobicContact CB-CD2 3.9Å; V111-L121 HydrophobicContact CG1-CD2 4.08Å; A119-L121 HydrophobicContact CB-CD2 3.65Å; A119-L121 HydrophobicContact CB-CG 4.28Å; A119-L121 PolarHBondContact O-N 3.34Å; L121-I127 HydrophobicContact CB-CD1 4.18Å; L121-I127 HydrophobicContact CD1-CD1 3.77Å; L121-I127 HydrophobicContact CD1-CG1 3.71Å; L121-I127 HydrophobicContact CG-CD1 3.91Å; L121-I127 HydrophobicContact CG-CG1 4.4Å | ||
| 122 | N | 90.2 | Very high | 75 | Confident | 31 Ų | 31 | 83.1 Ų | 83.1 | 17% | 0.166 | 44% | 0.44 | C | S | . | . | S | Bend | trans | -75.3 | -34.2 | 169.8 | -65 | -67.3 | 0 | 0 | 0 | 111.6 | Y68 R69 A104 D108 P124 | Y68-N122 HydrophobicContact CD1-CB 4.11Å; R69-N122 VanDerWaalsContact CB-OD1 3.27Å; R69-N122 WeakPolarHBondContact CB-OD1 3.47Å; R69-N122 PolarHBondContact N-OD1 2.65Å; R69-N122 PolarHBondContact O-ND2 3.18Å; R69-N122 VanDerWaalsContact O-ND2 3.11Å; A104-N122 HydrophobicContact CB-CB 4.42Å; D108-N122 PolarHBondContact OD1-N 2.96Å; D108-N122 PolarHBondContact OD1-ND2 3.47Å; D108-N122 WeakPolarHBondContact OD2-CA 3.5Å; D108-N122 WeakPolarHBondContact OD2-CB 3.41Å; D108-N122 PolarHBondContact OD2-N 2.72Å; N122-P124 WeakPolarHBondContact O-CD 3.37Å |
| 123 | F | 88.9 | Confident | 72.9 | Confident | 36 Ų | 36 | 86.6 Ų | 86.6 | 16% | 0.158 | 47% | 0.471 | C | S | . | . | trans | -111.2 | 81.1 | 177.8 | -53.3 | -73.7 | 0 | 0 | 0 | 110.6 | Y68 V101 A104 R105 D108 D125 E126 | Y68-F123 HydrophobicContact CD1-CZ 4.24Å; Y68-F123 AromaticContact CE1-CE1 3.96Å; Y68-F123 HydrophobicContact CE1-CE1 3.96Å; Y68-F123 AromaticContact CE1-CZ 3.76Å; Y68-F123 HydrophobicContact CE1-CZ 3.76Å; V101-F123 HydrophobicContact CG1-CE1 4.49Å; V101-F123 HydrophobicContact CG1-CZ 3.89Å; A104-F123 HydrophobicContact CB-CE2 3.48Å; A104-F123 VanDerWaalsContact CB-CE2 3.48Å; A104-F123 HydrophobicContact CB-CZ 3.81Å; R105-F123 HydrophobicContact CB-CE2 4.45Å; R105-F123 HydrophobicContact CG-CD2 3.69Å; R105-F123 HydrophobicContact CG-CE2 3.53Å; R105-F123 HydrophobicContact CG-CZ 4.42Å; D108-F123 VanDerWaalsContact OD2-CD2 3.23Å; D108-F123 WeakPolarHBondContact OD2-CD2 3.13Å; D108-F123 PolarHBondContact OD2-N 3.41Å; F123-D125 PolarHBondContact O-N 3.27Å; F123-E126 HydrophobicContact CB-CB 4.37Å; F123-E126 HydrophobicContact CB-CG 3.95Å; F123-E126 PolarHBondContact O-N 2.68Å | ||
| 124 | P | 80.4 | Confident | 71 | Confident | 75 Ų | 75 | 90.3 Ų | 90.3 | 49% | 0.487 | 49% | 0.491 | S | S | . | . | G | 310 helix | trans | -65.1 | -28.2 | 179.3 | 28 | -34.9 | 0 | 0 | 0 | 112.4 | N122 E126 I127 | N122-P124 WeakPolarHBondContact O-CD 3.37Å; P124-E126 PolarHBondContact O-N 3.12Å; P124-E126 VanDerWaalsContact O-N 3.17Å; P124-I127 HydrophobicContact CB-CD1 4.32Å; P124-I127 WeakPolarHBondContact O-CB 3.09Å; P124-I127 VanDerWaalsContact O-CG1 3.28Å; P124-I127 WeakPolarHBondContact O-CG1 3.15Å; P124-I127 PolarHBondContact O-N 2.96Å |
| 125 | D | 75.9 | Confident | 68.9 | Low | 144 Ų | 144 | 90.8 Ų | 90.8 | 77% | 0.77 | 51% | 0.507 | S | S | * | . | G | 310 helix | trans | -69.3 | -11 | -179.8 | -54 | -33.5 | 0 | 0 | 0 | 113.3 | F123 P128 | F123-D125 PolarHBondContact O-N 3.27Å; D125-P128 WeakPolarHBondContact O-CD 3.49Å |
| 126 | E | 68.4 | Low | 67.1 | Low | 92 Ų | 92 | 93.5 Ų | 93.5 | 43% | 0.43 | 53% | 0.525 | S | S | . | . | G | 310 helix | trans | -89.7 | -8.7 | 173.7 | -62.7 | -178.7 | -158.7 | 0 | 0 | 112.3 | R105 F123 P124 P128 | R105-E126 IonicContact CZ-OE1 3.37Å; R105-E126 IonicContact CZ-OE2 3.8Å; R105-E126 IonicContact NE-OE1 3.72Å; R105-E126 PolarHBondContact NE-OE1 3.21Å; R105-E126 IonicContact NE-OE2 3.93Å; R105-E126 PolarHBondContact NE-OE2 2.82Å; R105-E126 VanDerWaalsContact NH2-CD 3.33Å; R105-E126 IonicContact NH2-OE1 3.12Å; R105-E126 PolarHBondContact NH2-OE1 3.33Å; R105-E126 IonicContact NH2-OE2 2.75Å; F123-E126 HydrophobicContact CB-CB 4.37Å; F123-E126 HydrophobicContact CB-CG 3.95Å; F123-E126 PolarHBondContact O-N 2.68Å; P124-E126 PolarHBondContact O-N 3.12Å; P124-E126 VanDerWaalsContact O-N 3.17Å; E126-P128 VanDerWaalsContact C-CD 3.44Å |
| 127 | I | 59.5 | Low | 65.2 | Low | 47 Ų | 47 | 95.5 Ų | 95.5 | 24% | 0.241 | 55% | 0.546 | C | S | . | . | S | Bend | trans | -76.2 | -30.2 | 178 | -52.9 | 176.5 | 0 | 0 | 0 | 114.8 | L121 P124 S129 L130 | L121-I127 HydrophobicContact CB-CD1 4.18Å; L121-I127 HydrophobicContact CD1-CD1 3.77Å; L121-I127 HydrophobicContact CD1-CG1 3.71Å; L121-I127 HydrophobicContact CG-CD1 3.91Å; L121-I127 HydrophobicContact CG-CG1 4.4Å; P124-I127 HydrophobicContact CB-CD1 4.32Å; P124-I127 WeakPolarHBondContact O-CB 3.09Å; P124-I127 VanDerWaalsContact O-CG1 3.28Å; P124-I127 WeakPolarHBondContact O-CG1 3.15Å; P124-I127 PolarHBondContact O-N 2.96Å; I127-S129 PolarHBondContact O-N 2.84Å; I127-L130 PolarHBondContact O-N 2.94Å |
| 128 | P | 51.9 | Low | 63.7 | Low | 94 Ų | 94 | 95.4 Ų | 95.4 | 61% | 0.61 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.2 | -10.2 | -173.4 | -22.7 | 33 | 0 | 0 | 0 | 115.9 | D125 E126 | D125-P128 WeakPolarHBondContact O-CD 3.49Å; E126-P128 VanDerWaalsContact C-CD 3.44Å |
| 129 | S | 48.9 | Very low | 62.1 | Low | 114 Ų | 114 | 93.2 Ų | 93.2 | 80% | 0.797 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | -2.7 | 175.5 | -49.9 | 0 | 0 | 0 | 0 | 114.1 | I127 | I127-S129 PolarHBondContact O-N 2.84Š|
| 130 | L | 51.9 | Low | 60.1 | Low | 90 Ų | 90 | 100.8 Ų | 100.8 | 47% | 0.471 | 59% | 0.594 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -119.3 | -7.3 | -176.9 | -120 | 96.4 | 0 | 0 | 0 | 115.6 | F112 I127 | F112-L130 HydrophobicContact CE1-CD2 3.9Å; F112-L130 HydrophobicContact CE2-CD2 3.57Å; F112-L130 HydrophobicContact CZ-CD2 3.09Å; I127-L130 PolarHBondContact O-N 2.94Å |
| 131 | A | 47.1 | Very low | 57.9 | Low | 56 Ų | 56 | 94.9 Ų | 94.9 | 46% | 0.463 | 60% | 0.595 | S | S | . | * | S | Bend | trans | -111 | 115.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | S133 | A131-S133 PolarHBondContact O-N 3.06Š|
| 132 | P | 49.2 | Very low | 55.5 | Low | 94 Ų | 94 | 96.8 Ų | 96.8 | 61% | 0.61 | 62% | 0.622 | S | S | * | * | trans | -59.7 | 130.8 | 165.2 | 25.8 | -30.1 | 0 | 0 | 0 | 107.9 | E134 | P132-E134 HydrophobicContact CB-CG 4.28Å; P132-E134 PolarHBondContact O-N 3.48Å | ||
| 133 | S | 45.8 | Very low | 53.3 | Low | 120 Ų | 120 | 103.9 Ų | 103.9 | 84% | 0.839 | 65% | 0.654 | S | S | * | * | trans | -60.6 | 83.9 | 168.7 | 51.7 | 0 | 0 | 0 | 0 | 109.5 | A131 | A131-S133 PolarHBondContact O-N 3.06Š| ||
| 134 | E | 50.3 | Low | 51.6 | Low | 160 Ų | 160 | 107.5 Ų | 107.5 | 75% | 0.748 | 68% | 0.681 | S | S | * | * | trans | -133.9 | 81.6 | 176.1 | -63.8 | -173.5 | -179.5 | 0 | 0 | 108.4 | P132 | P132-E134 HydrophobicContact CB-CG 4.28Å; P132-E134 PolarHBondContact O-N 3.48Å | ||
| 135 | G | 43.6 | Very low | 49.7 | Very low | 55 Ų | 55 | 108 Ų | 108 | 57% | 0.567 | 69% | 0.692 | S | S | * | * | trans | -60.9 | 154.7 | 132.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 136 | E | 48.6 | Very low | 48.6 | Very low | 192 Ų | 192 | 111.5 Ų | 111.5 | 90% | 0.897 | 69% | 0.694 | S | S | * | * | trans | 79.9 | 105.4 | 179.7 | -67.9 | 85.5 | 102.1 | 0 | 0 | 116.3 | ||||
| 137 | G | 44.8 | Very low | 47.4 | Very low | 71 Ų | 71 | 114.8 Ų | 114.8 | 73% | 0.732 | 72% | 0.715 | S | S | * | * | trans | 158.7 | 63.6 | 162.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | G139 | G137-G139 PolarHBondContact O-N 2.99Å; G137-G139 VanDerWaalsContact O-N 3.17Å | ||
| 138 | D | 48 | Very low | 47.2 | Very low | 179 Ų | 179 | 116.9 Ų | 116.9 | 96% | 0.957 | 73% | 0.731 | S | S | * | * | trans | -52.3 | 113.5 | 154.5 | -62.9 | -84.9 | 0 | 0 | 0 | 109.4 | ||||
| 139 | G | 46.3 | Very low | 46.9 | Very low | 71 Ų | 71 | 117 Ų | 117 | 73% | 0.732 | 74% | 0.74 | S | S | * | * | trans | -170.4 | 83.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | G137 | G137-G139 PolarHBondContact O-N 2.99Å; G137-G139 VanDerWaalsContact O-N 3.17Å | ||
| 140 | D | 45.4 | Very low | 46.7 | Very low | 166 Ų | 166 | 119.7 Ų | 119.7 | 89% | 0.888 | 75% | 0.746 | S | S | * | * | trans | 14.2 | 128.9 | 137.1 | -167.6 | 46.1 | 0 | 0 | 0 | 119.9 | ||||
| 141 | G | 40.6 | Very low | 46 | Very low | 73 Ų | 73 | 119.5 Ų | 119.5 | 75% | 0.753 | 77% | 0.765 | S | S | * | * | trans | 76.5 | 112.3 | 139.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 142 | G | 39.7 | Very low | 45.6 | Very low | 72 Ų | 72 | 119.1 Ų | 119.1 | 74% | 0.742 | 77% | 0.767 | S | S | * | * | trans | 161.4 | 69.9 | 160.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | P144 | G142-P144 WeakPolarHBondContact O-CD 3.37Š| ||
| 143 | E | 43.3 | Very low | 44.9 | Very low | 181 Ų | 181 | 118.3 Ų | 118.3 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | trans | -55.5 | 123.2 | 163.6 | -166.4 | -172.5 | 147.7 | 0 | 0 | 110.8 | A145 | E143-A145 PolarHBondContact O-N 2.84Š| ||
| 144 | P | 53.4 | Low | 44.3 | Very low | 111 Ų | 111 | 116.6 Ų | 116.6 | 72% | 0.721 | 78% | 0.777 | S | S | * | * | trans | -90.5 | 86.2 | 173.6 | 32.9 | -30.2 | 0 | 0 | 0 | 110.4 | G142 R146 | G142-P144 WeakPolarHBondContact O-CD 3.37Å; P144-R146 PolarHBondContact O-N 3.33Å; P144-R146 VanDerWaalsContact O-N 3.13Å | ||
| 145 | A | 42.3 | Very low | 44.2 | Very low | 86 Ų | 86 | 111.6 Ų | 111.6 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | trans | -68.7 | 97.4 | 157.1 | 0 | 0 | 0 | 0 | 0 | 109 | E143 | E143-A145 PolarHBondContact O-N 2.84Š| ||
| 146 | R | 51.2 | Low | 45.2 | Very low | 218 Ų | 218 | 115.5 Ų | 115.5 | 82% | 0.823 | 78% | 0.782 | S | S | * | * | trans | -143.3 | 112.1 | 164.5 | -66.3 | -168.6 | 179 | 119.8 | 2.2 | 109.7 | P144 | P144-R146 PolarHBondContact O-N 3.33Å; P144-R146 VanDerWaalsContact O-N 3.13Å | ||
| 147 | D | 43.3 | Very low | 46.4 | Very low | 161 Ų | 161 | 110.5 Ų | 110.5 | 86% | 0.861 | 76% | 0.76 | S | S | * | * | trans | -53.1 | 139 | 173 | -55.6 | -86.4 | 0 | 0 | 0 | 112.8 | ||||
| 148 | P | 55.4 | Low | 48.4 | Very low | 91 Ų | 91 | 110 Ų | 110 | 59% | 0.591 | 75% | 0.746 | S | S | * | * | trans | -115 | 88.1 | 147.5 | 33.3 | -23.4 | 0 | 0 | 0 | 108.6 | D150 | P148-D150 PolarHBondContact O-N 3.28Š| ||
| 149 | A | 46.3 | Very low | 50.3 | Low | 97 Ų | 97 | 103 Ų | 103 | 80% | 0.802 | 71% | 0.713 | S | S | * | * | trans | -60.4 | 126.5 | 160.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 150 | D | 43.4 | Very low | 52.4 | Low | 169 Ų | 169 | 102.1 Ų | 102.1 | 90% | 0.904 | 70% | 0.699 | S | S | * | * | S | Bend | trans | 87.8 | 88.5 | 175.8 | -148.7 | 33.7 | 0 | 0 | 0 | 116.8 | P148 | P148-D150 PolarHBondContact O-N 3.28Š|
| 151 | G | 37.1 | Very low | 54.6 | Low | 86 Ų | 86 | 96.6 Ų | 96.6 | 89% | 0.887 | 67% | 0.673 | S | S | * | * | S | Bend | trans | 77 | 41.7 | 150.8 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||
| 152 | G | 40.2 | Very low | 57.1 | Low | 48 Ų | 48 | 93.1 Ų | 93.1 | 50% | 0.495 | 64% | 0.637 | S | S | . | * | trans | -162.2 | 74.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | G154 | G152-G154 PolarHBondContact O-N 2.8Š| ||
| 153 | G | 33.6 | Very low | 59.6 | Low | 77 Ų | 77 | 94.9 Ų | 94.9 | 79% | 0.794 | 62% | 0.621 | S | S | * | * | trans | -63.8 | 105.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | G155 | G153-G155 PolarHBondContact O-N 3.5Å; G153-G155 VanDerWaalsContact O-N 3.14Å | ||
| 154 | G | 33.9 | Very low | 62.1 | Low | 84 Ų | 84 | 93.8 Ų | 93.8 | 87% | 0.866 | 61% | 0.614 | S | S | * | * | trans | -56.8 | 112.6 | 159.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | G152 | G152-G154 PolarHBondContact O-N 2.8Š| ||
| 155 | G | 48 | Very low | 64 | Low | 56 Ų | 56 | 91.8 Ų | 91.8 | 58% | 0.577 | 59% | 0.594 | S | S | * | * | S | Bend | trans | 151.1 | 119.8 | -176 | 0 | 0 | 0 | 0 | 0 | 110.3 | G153 | G153-G155 PolarHBondContact O-N 3.5Å; G153-G155 VanDerWaalsContact O-N 3.14Å |
| 156 | T | 64.5 | Low | 66.5 | Low | 137 Ų | 137 | 87.7 Ų | 87.7 | 84% | 0.84 | 56% | 0.56 | S | S | * | * | S | Bend | trans | 32.6 | 101.6 | 164 | 60.9 | 0 | 0 | 0 | 0 | 116 | S158 | T156-S158 PolarHBondContact O-N 2.85Š|
| 157 | L | 74.6 | Confident | 68.6 | Low | 86 Ų | 86 | 81 Ų | 81 | 45% | 0.45 | 54% | 0.54 | S | S | . | . | trans | -43.5 | 134.7 | 176.1 | -74.1 | 165.8 | 0 | 0 | 0 | 112.3 | Y113 I162 | Y113-L157 HydrophobicContact CD1-CD1 3.06Å; Y113-L157 HydrophobicContact CD1-CG 4.48Å; Y113-L157 HydrophobicContact CD2-CD1 4.35Å; Y113-L157 HydrophobicContact CE1-CD1 3.52Å; Y113-L157 HydrophobicContact CG-CD1 3.53Å; L157-I162 HydrophobicContact CB-CD1 4.43Å; L157-I162 HydrophobicContact CB-CG1 3.93Å; L157-I162 WeakPolarHBondContact O-CD1 3.37Å | ||
| 158 | S | 86.4 | Confident | 71.1 | Confident | 62 Ų | 62 | 78.2 Ų | 78.2 | 43% | 0.434 | 52% | 0.522 | S | S | . | . | trans | -57.2 | 150.8 | 177.4 | 82.4 | 0 | 0 | 0 | 0 | 111.4 | T156 A160 S161 I162 | T156-S158 PolarHBondContact O-N 2.85Å; S158-A160 PolarHBondContact O-N 3.16Å; S158-A160 VanDerWaalsContact O-N 3.1Å; S158-A160 PolarHBondContact OG-N 2.87Å; S158-S161 WeakPolarHBondContact O-CA 3.45Å; S158-S161 WeakPolarHBondContact O-CB 3.48Å; S158-S161 PolarHBondContact O-N 3.4Å; S158-S161 PolarHBondContact OG-N 3.49Å; S158-S161 VanDerWaalsContact OG-N 3.09Å; S158-S161 PolarHBondContact OG-OG 3.46Å; S158-I162 WeakPolarHBondContact O-CG1 3.34Å; S158-I162 PolarHBondContact O-N 3.24Å | ||
| 159 | A | 87.6 | Confident | 73 | Confident | 30 Ų | 30 | 75.8 Ų | 75.8 | 25% | 0.248 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -55.4 | -31.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | I92 R163 | I92-A159 HydrophobicContact CD1-CB 3.7Å; I92-A159 HydrophobicContact CG1-CB 4.13Å; A159-R163 WeakPolarHBondContact O-CG 3.35Å; A159-R163 PolarHBondContact O-N 3.01Å |
| 160 | A | 90.3 | Very high | 75.4 | Confident | 54 Ų | 54 | 71.1 Ų | 71.1 | 45% | 0.446 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -66.8 | -43.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | S158 R163 K164 | S158-A160 PolarHBondContact O-N 3.16Å; S158-A160 VanDerWaalsContact O-N 3.1Å; S158-A160 PolarHBondContact OG-N 2.87Å; A160-R163 PolarHBondContact O-N 3.2Å; A160-K164 WeakPolarHBondContact O-CB 3.26Å; A160-K164 PolarHBondContact O-N 3.01Å |
| 161 | S | 92 | Very high | 77.8 | Confident | 49 Ų | 49 | 66 Ų | 66 | 34% | 0.343 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -62.8 | -42.8 | 176.3 | -52.4 | 0 | 0 | 0 | 0 | 111.6 | S158 K164 K165 | S158-S161 WeakPolarHBondContact O-CA 3.45Å; S158-S161 WeakPolarHBondContact O-CB 3.48Å; S158-S161 PolarHBondContact O-N 3.4Å; S158-S161 PolarHBondContact OG-N 3.49Å; S158-S161 VanDerWaalsContact OG-N 3.09Å; S158-S161 PolarHBondContact OG-OG 3.46Å; S161-K164 PolarHBondContact O-N 3.45Å; S161-K165 PolarHBondContact O-N 2.78Å; S161-K165 VanDerWaalsContact O-N 3.07Å |
| 162 | I | 91.8 | Very high | 80.5 | Confident | 1 Ų | 1 | 71 Ų | 71 | 1% | 0.005 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -61.6 | -47.4 | 176.7 | -64 | 174.6 | 0 | 0 | 0 | 110.5 | A110 L114 L157 S158 K164 K165 A166 | A110-I162 HydrophobicContact CB-CG2 3.63Å; L114-I162 HydrophobicContact CD2-CD1 3.42Å; L114-I162 VanDerWaalsContact CD2-CD1 3.42Å; L114-I162 HydrophobicContact CG-CD1 3.93Å; L157-I162 HydrophobicContact CB-CD1 4.43Å; L157-I162 HydrophobicContact CB-CG1 3.93Å; L157-I162 WeakPolarHBondContact O-CD1 3.37Å; S158-I162 WeakPolarHBondContact O-CG1 3.34Å; S158-I162 PolarHBondContact O-N 3.24Å; I162-K164 PolarHBondContact O-N 2.89Å; I162-K165 PolarHBondContact O-N 3.37Å; I162-A166 WeakPolarHBondContact O-CB 3.28Å; I162-A166 PolarHBondContact O-N 2.89Å |
| 163 | R | 93.5 | Very high | 83 | Confident | 108 Ų | 108 | 69.1 Ų | 69.1 | 41% | 0.408 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -57.2 | -50.3 | 175 | -77.3 | -174.5 | -68.6 | -167.2 | 3.8 | 111.9 | I92 W93 L94 A159 A160 K165 A166 I167 | I92-R163 HydrophobicContact CG2-CG 3.12Å; W93-R163 WeakPolarHBondContact O-CD 3.38Å; W93-R163 WeakPolarHBondContact O-CG 3.02Å; L94-R163 HydrophobicContact CD2-CG 4.38Å; A159-R163 WeakPolarHBondContact O-CG 3.35Å; A159-R163 PolarHBondContact O-N 3.01Å; A160-R163 PolarHBondContact O-N 3.2Å; R163-K165 VanDerWaalsContact C-N 3.27Å; R163-K165 PolarHBondContact O-N 3.37Å; R163-A166 PolarHBondContact O-N 3.49Å; R163-I167 WeakPolarHBondContact O-CB 3.48Å; R163-I167 VanDerWaalsContact O-CG1 3.24Å; R163-I167 WeakPolarHBondContact O-CG1 3.3Å; R163-I167 PolarHBondContact O-N 3.26Å |
| 164 | K | 94.7 | Very high | 85.9 | Confident | 159 Ų | 159 | 67.1 Ų | 67.1 | 69% | 0.691 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -54.4 | -47.3 | -178.5 | -175.1 | 179.7 | 179.1 | -178.2 | 0 | 110.7 | A160 S161 I162 E168 | A160-K164 WeakPolarHBondContact O-CB 3.26Å; A160-K164 PolarHBondContact O-N 3.01Å; S161-K164 PolarHBondContact O-N 3.45Å; I162-K164 PolarHBondContact O-N 2.89Å; K164-E168 PolarHBondContact O-N 3.13Å; K164-E168 VanDerWaalsContact O-N 3.11Å |
| 165 | K | 94.3 | Very high | 88.7 | Confident | 69 Ų | 69 | 66.3 Ų | 66.3 | 30% | 0.3 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -72.1 | -39.3 | -178 | -165.9 | 60 | -178 | 178.1 | 0 | 113.2 | T109 Y113 S161 I162 R163 I167 E168 V169 | T109-K165 HydrophobicContact CG2-CB 4.36Å; T109-K165 HydrophobicContact CG2-CG 3.93Å; Y113-K165 HydrophobicContact CE2-CB 3.94Å; Y113-K165 HydrophobicContact CE2-CG 3.55Å; S161-K165 PolarHBondContact O-N 2.78Å; S161-K165 VanDerWaalsContact O-N 3.07Å; I162-K165 PolarHBondContact O-N 3.37Å; R163-K165 VanDerWaalsContact C-N 3.27Å; R163-K165 PolarHBondContact O-N 3.37Å; K165-I167 VanDerWaalsContact C-N 3.34Å; K165-I167 PolarHBondContact O-N 3.2Å; K165-E168 WeakPolarHBondContact CD-OE2 3.46Å; K165-E168 VanDerWaalsContact NZ-CD 3.3Å; K165-E168 IonicContact NZ-OE1 3.09Å; K165-E168 PolarHBondContact NZ-OE1 3.27Å; K165-E168 IonicContact NZ-OE2 2.91Å; K165-E168 PolarHBondContact NZ-OE2 2.97Å; K165-E168 PolarHBondContact O-N 3.21Å; K165-V169 WeakPolarHBondContact O-CG2 3.47Å; K165-V169 PolarHBondContact O-N 3.36Å; K165-V169 VanDerWaalsContact O-N 3.13Å |
| 166 | A | 94.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -62.1 | -41.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L94 Y97 A106 A110 I162 R163 G170 | L94-A166 HydrophobicContact CB-CB 4.25Å; L94-A166 HydrophobicContact CD2-CB 3.87Å; L94-A166 HydrophobicContact CG-CB 4.45Å; Y97-A166 PolarHBondContact OH-O 3.48Å; A106-A166 HydrophobicContact CB-CB 4.36Å; A106-A166 WeakPolarHBondContact CB-O 3.33Å; A106-A166 WeakPolarHBondContact O-CB 3.38Å; A110-A166 HydrophobicContact CB-CB 4.43Å; I162-A166 WeakPolarHBondContact O-CB 3.28Å; I162-A166 PolarHBondContact O-N 2.89Å; R163-A166 PolarHBondContact O-N 3.49Å; A166-G170 PolarHBondContact O-N 3.11Å |
| 167 | I | 95.9 | Very high | 91.8 | Very high | 76 Ų | 76 | 64.4 Ų | 64.4 | 39% | 0.39 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61.5 | -50 | 175.7 | -69.5 | 166.2 | 0 | 0 | 0 | 110.1 | L94 R163 K165 V169 G170 S171 | L94-I167 WeakPolarHBondContact O-CG1 3.39Å; R163-I167 WeakPolarHBondContact O-CB 3.48Å; R163-I167 VanDerWaalsContact O-CG1 3.24Å; R163-I167 WeakPolarHBondContact O-CG1 3.3Å; R163-I167 PolarHBondContact O-N 3.26Å; K165-I167 VanDerWaalsContact C-N 3.34Å; K165-I167 PolarHBondContact O-N 3.2Å; I167-V169 VanDerWaalsContact C-N 3.34Å; I167-V169 PolarHBondContact O-N 3.38Å; I167-G170 PolarHBondContact O-N 3.45Å; I167-S171 VanDerWaalsContact O-CB 3.28Å; I167-S171 WeakPolarHBondContact O-CB 3.34Å; I167-S171 PolarHBondContact O-N 3.12Å; I167-S171 PolarHBondContact O-OG 2.74Å; I167-S171 VanDerWaalsContact O-OG 3.11Å |
| 168 | E | 95.7 | Very high | 92.4 | Very high | 104 Ų | 104 | 62.6 Ų | 62.6 | 49% | 0.486 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -53.9 | -49 | 179.5 | -173.7 | -162.8 | 130.2 | 0 | 0 | 112.1 | K164 K165 R172 | K164-E168 PolarHBondContact O-N 3.13Å; K164-E168 VanDerWaalsContact O-N 3.11Å; K165-E168 WeakPolarHBondContact CD-OE2 3.46Å; K165-E168 VanDerWaalsContact NZ-CD 3.3Å; K165-E168 IonicContact NZ-OE1 3.09Å; K165-E168 PolarHBondContact NZ-OE1 3.27Å; K165-E168 IonicContact NZ-OE2 2.91Å; K165-E168 PolarHBondContact NZ-OE2 2.97Å; K165-E168 PolarHBondContact O-N 3.21Å; E168-R172 WeakPolarHBondContact O-CB 3.45Å; E168-R172 PolarHBondContact O-N 3.33Å; E168-R172 VanDerWaalsContact O-N 3.13Å |
| 169 | V | 95.3 | Very high | 92 | Very high | 39 Ų | 39 | 62.2 Ų | 62.2 | 24% | 0.236 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.6 | -49.1 | 178.7 | 173.8 | 0 | 0 | 0 | 0 | 111.1 | R105 T109 K165 I167 S171 R172 V173 | R105-V169 HydrophobicContact CB-CG1 4.12Å; T109-V169 HydrophobicContact CG2-CG2 4.21Å; K165-V169 WeakPolarHBondContact O-CG2 3.47Å; K165-V169 PolarHBondContact O-N 3.36Å; K165-V169 VanDerWaalsContact O-N 3.13Å; I167-V169 VanDerWaalsContact C-N 3.34Å; I167-V169 PolarHBondContact O-N 3.38Å; V169-S171 PolarHBondContact O-N 3.09Å; V169-R172 PolarHBondContact O-N 3.11Å; V169-V173 VanDerWaalsContact O-CG2 3.28Å; V169-V173 WeakPolarHBondContact O-CG2 3.24Å; V169-V173 PolarHBondContact O-N 3.01Å; V169-V173 VanDerWaalsContact O-N 3.12Å |
| 170 | G | 95.1 | Very high | 91 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.6 | -45.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y97 A166 I167 R172 V173 D174 | Y97-G170 VanDerWaalsContact CE1-CA 3.48Å; A166-G170 PolarHBondContact O-N 3.11Å; I167-G170 PolarHBondContact O-N 3.45Å; G170-R172 PolarHBondContact O-N 2.96Å; G170-V173 PolarHBondContact O-N 3.09Å; G170-D174 VanDerWaalsContact O-CB 3.28Å; G170-D174 WeakPolarHBondContact O-CB 3.46Å; G170-D174 PolarHBondContact O-N 3.37Å |
| 171 | S | 94 | Very high | 89.7 | Confident | 60 Ų | 60 | 72 Ų | 72 | 42% | 0.42 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.4 | -39.4 | 178.9 | -69.5 | 0 | 0 | 0 | 0 | 112.4 | I167 V169 D174 A175 | I167-S171 VanDerWaalsContact O-CB 3.28Å; I167-S171 WeakPolarHBondContact O-CB 3.34Å; I167-S171 PolarHBondContact O-N 3.12Å; I167-S171 PolarHBondContact O-OG 2.74Å; I167-S171 VanDerWaalsContact O-OG 3.11Å; V169-S171 PolarHBondContact O-N 3.09Å; S171-D174 PolarHBondContact O-N 3.31Å; S171-A175 WeakPolarHBondContact O-CB 3.41Å; S171-A175 PolarHBondContact O-N 3.37Å |
| 172 | R | 94 | Very high | 88.3 | Confident | 192 Ų | 192 | 74.3 Ų | 74.3 | 73% | 0.725 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -61.9 | -44.6 | 175.1 | -177.7 | 178.3 | 177.7 | -174.8 | -0.9 | 111.5 | E168 V169 G170 L176 | E168-R172 WeakPolarHBondContact O-CB 3.45Å; E168-R172 PolarHBondContact O-N 3.33Å; E168-R172 VanDerWaalsContact O-N 3.13Å; V169-R172 PolarHBondContact O-N 3.11Å; G170-R172 PolarHBondContact O-N 2.96Å; R172-L176 HydrophobicContact CG-CD1 4.48Å; R172-L176 WeakPolarHBondContact O-CG 3.47Å; R172-L176 PolarHBondContact O-N 3.44Å |
| 173 | V | 93.3 | Very high | 86.9 | Confident | 9 Ų | 9 | 78.4 Ų | 78.4 | 6% | 0.055 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -69.2 | -41.4 | 179.8 | 176.6 | 0 | 0 | 0 | 0 | 110.8 | V101 A102 R105 V169 G170 A175 L176 Q177 | V101-V173 HydrophobicContact CG1-CG1 4.18Å; A102-V173 HydrophobicContact CB-CB 4.07Å; A102-V173 HydrophobicContact CB-CG1 3.91Å; R105-V173 HydrophobicContact CB-CG2 4.38Å; R105-V173 VanDerWaalsContact CD-CG2 3.41Å; V169-V173 VanDerWaalsContact O-CG2 3.28Å; V169-V173 WeakPolarHBondContact O-CG2 3.24Å; V169-V173 PolarHBondContact O-N 3.01Å; V169-V173 VanDerWaalsContact O-N 3.12Å; G170-V173 PolarHBondContact O-N 3.09Å; V173-A175 VanDerWaalsContact C-N 3.35Å; V173-A175 PolarHBondContact O-N 3.18Å; V173-L176 PolarHBondContact O-N 2.95Å; V173-Q177 HydrophobicContact CG1-CG 4.3Å; V173-Q177 WeakPolarHBondContact O-CB 3.35Å; V173-Q177 WeakPolarHBondContact O-CG 3.4Å; V173-Q177 PolarHBondContact O-N 3.27Å |
| 174 | D | 94 | Very high | 85.2 | Confident | 35 Ų | 35 | 78.1 Ų | 78.1 | 19% | 0.187 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -61.9 | -42.5 | 178.3 | -162.6 | 68.1 | 0 | 0 | 0 | 111.3 | Y97 A98 T99 A102 G170 S171 T178 | Y97-D174 WeakPolarHBondContact CB-OD1 3.28Å; Y97-D174 HydrophobicContact CD1-CB 4.08Å; A98-D174 WeakPolarHBondContact CA-OD1 3.19Å; A98-D174 WeakPolarHBondContact CB-OD1 3.23Å; A98-D174 PolarHBondContact N-OD1 2.82Å; T99-D174 PolarHBondContact N-OD1 3.48Å; A102-D174 HydrophobicContact CB-CB 3.76Å; G170-D174 VanDerWaalsContact O-CB 3.28Å; G170-D174 WeakPolarHBondContact O-CB 3.46Å; G170-D174 PolarHBondContact O-N 3.37Å; S171-D174 PolarHBondContact O-N 3.31Å; D174-T178 WeakPolarHBondContact O-CB 3Å; D174-T178 PolarHBondContact O-N 3.03Å; D174-T178 PolarHBondContact O-OG1 3.37Å |
| 175 | A | 92.3 | Very high | 83.6 | Confident | 67 Ų | 67 | 76 Ų | 76 | 55% | 0.554 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -62.5 | -45.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | S171 V173 G179 | S171-A175 WeakPolarHBondContact O-CB 3.41Å; S171-A175 PolarHBondContact O-N 3.37Å; V173-A175 VanDerWaalsContact C-N 3.35Å; V173-A175 PolarHBondContact O-N 3.18Å; A175-G179 PolarHBondContact O-N 3.35Å |
| 176 | L | 91.4 | Very high | 81.6 | Confident | 101 Ų | 101 | 80.8 Ų | 80.8 | 53% | 0.529 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -64.4 | -45.6 | 179 | -70.2 | 172.2 | 0 | 0 | 0 | 111.8 | R172 V173 M180 | R172-L176 HydrophobicContact CG-CD1 4.48Å; R172-L176 WeakPolarHBondContact O-CG 3.47Å; R172-L176 PolarHBondContact O-N 3.44Å; V173-L176 PolarHBondContact O-N 2.95Å; L176-M180 HydrophobicContact CB-CE 4.47Å; L176-M180 WeakPolarHBondContact O-CE 3.43Å; L176-M180 WeakPolarHBondContact O-CG 3.34Å; L176-M180 PolarHBondContact O-N 3.49Å |
| 177 | Q | 87.1 | Confident | 79.6 | Confident | 52 Ų | 52 | 88 Ų | 88 | 24% | 0.243 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -76.2 | -40.6 | -176.7 | -66.7 | -177.5 | -43.4 | 0 | 0 | 112.2 | T99 V101 V173 G179 M180 M181 | T99-Q177 HydrophobicContact CG2-CB 3.69Å; T99-Q177 PolarHBondContact OG1-OE1 3.07Å; V101-Q177 VanDerWaalsContact CG1-NE2 3.34Å; V173-Q177 HydrophobicContact CG1-CG 4.3Å; V173-Q177 WeakPolarHBondContact O-CB 3.35Å; V173-Q177 WeakPolarHBondContact O-CG 3.4Å; V173-Q177 PolarHBondContact O-N 3.27Å; Q177-G179 VanDerWaalsContact C-N 3.34Å; Q177-M180 PolarHBondContact O-N 2.93Å; Q177-M181 VanDerWaalsContact O-CG 3.29Å; Q177-M181 WeakPolarHBondContact O-CG 3.46Å; Q177-M181 PolarHBondContact O-N 3.45Å |
| 178 | T | 86.9 | Confident | 77.5 | Confident | 47 Ų | 47 | 94.9 Ų | 94.9 | 29% | 0.288 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.7 | -36.7 | 177.9 | -54.3 | 0 | 0 | 0 | 0 | 111.1 | D174 M180 M181 V182 | D174-T178 WeakPolarHBondContact O-CB 3Å; D174-T178 PolarHBondContact O-N 3.03Å; D174-T178 PolarHBondContact O-OG1 3.37Å; T178-M180 PolarHBondContact O-N 2.75Å; T178-M181 WeakPolarHBondContact O-CA 3.38Å; T178-M181 PolarHBondContact O-N 2.91Å; T178-V182 PolarHBondContact O-N 2.71Å |
| 179 | G | 79 | Confident | 75.3 | Confident | 55 Ų | 55 | 96.4 Ų | 96.4 | 57% | 0.567 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.4 | -27.4 | 174 | 0 | 0 | 0 | 0 | 0 | 113.6 | A175 Q177 M181 | A175-G179 PolarHBondContact O-N 3.35Å; Q177-G179 VanDerWaalsContact C-N 3.34Å; G179-M181 VanDerWaalsContact C-N 3.34Å |
| 180 | M | 65.9 | Low | 73.3 | Confident | 151 Ų | 151 | 103.2 Ų | 103.2 | 74% | 0.744 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -12.3 | 172.1 | -68 | -174.6 | -108.6 | 0 | 0 | 113.5 | L176 Q177 T178 | L176-M180 HydrophobicContact CB-CE 4.47Å; L176-M180 WeakPolarHBondContact O-CE 3.43Å; L176-M180 WeakPolarHBondContact O-CG 3.34Å; L176-M180 PolarHBondContact O-N 3.49Å; Q177-M180 PolarHBondContact O-N 2.93Å; T178-M180 PolarHBondContact O-N 2.75Å |
| 181 | M | 62.9 | Low | 71.1 | Confident | 139 Ų | 139 | 110.5 Ų | 110.5 | 69% | 0.685 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.8 | -6 | -177.2 | -64.8 | 177.6 | 99.3 | 0 | 0 | 113.6 | T99 Q177 T178 G179 P183 | T99-M181 HydrophobicContact CG2-SD 4.21Å; Q177-M181 VanDerWaalsContact O-CG 3.29Å; Q177-M181 WeakPolarHBondContact O-CG 3.46Å; Q177-M181 PolarHBondContact O-N 3.45Å; T178-M181 WeakPolarHBondContact O-CA 3.38Å; T178-M181 PolarHBondContact O-N 2.91Å; G179-M181 VanDerWaalsContact C-N 3.34Å; M181-P183 WeakPolarHBondContact O-CD 3.33Å |
| 182 | V | 63 | Low | 69.2 | Low | 97 Ų | 97 | 116.1 Ų | 116.1 | 59% | 0.588 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -78.2 | 108 | 167.7 | -179.1 | 0 | 0 | 0 | 0 | 106.7 | T178 | T178-V182 PolarHBondContact O-N 2.71Š|
| 183 | P | 61.6 | Low | 67.3 | Low | 87 Ų | 87 | 113.7 Ų | 113.7 | 57% | 0.565 | 58% | 0.576 | S | S | * | * | trans | -56.6 | 139.6 | 172.5 | 25.2 | -32.6 | 0 | 0 | 0 | 107.6 | M181 | M181-P183 WeakPolarHBondContact O-CD 3.33Š| ||
| 184 | P | 57.1 | Low | 65.5 | Low | 101 Ų | 101 | 119.5 Ų | 119.5 | 66% | 0.656 | 60% | 0.602 | S | S | * | * | trans | -49.6 | 137.1 | 174.6 | 21.7 | -31.8 | 0 | 0 | 0 | 107.5 | H186 | P184-H186 PolarHBondContact O-N 3.2Š| ||
| 185 | P | 62.7 | Low | 63.5 | Low | 115 Ų | 115 | 125.1 Ų | 125.1 | 75% | 0.747 | 63% | 0.627 | S | S | * | * | trans | -53.7 | 115.9 | 176.3 | 23.5 | -31.6 | 0 | 0 | 0 | 105.7 | H187 | P185-H187 PolarHBondContact O-N 3.35Š| ||
| 186 | H | 52.1 | Low | 61.9 | Low | 169 Ų | 169 | 130.3 Ų | 130.3 | 78% | 0.782 | 64% | 0.639 | S | S | * | * | trans | -57.7 | 102.6 | 169.4 | -73.1 | -76.6 | 0 | 0 | 0 | 104.4 | P184 R188 | P184-H186 PolarHBondContact O-N 3.2Å; H186-R188 PolarHBondContact O-N 2.92Å | ||
| 187 | H | 51.5 | Low | 60.3 | Low | 153 Ų | 153 | 133.2 Ų | 133.2 | 71% | 0.708 | 65% | 0.65 | S | S | * | * | trans | -66.2 | 81.4 | 171.1 | -150.1 | -58.1 | 0 | 0 | 0 | 104.5 | P185 E189 | P185-H187 PolarHBondContact O-N 3.35Å; H187-E189 IonicContact CE1-OE2 3.2Å; H187-E189 PolarHBondContact CE1-OE2 3.14Å; H187-E189 IonicContact ND1-OE2 2.74Å; H187-E189 PolarHBondContact ND1-OE2 3.13Å; H187-E189 VanDerWaalsContact ND1-OE2 3.09Å; H187-E189 IonicContact NE2-OE2 3.64Å; H187-E189 PolarHBondContact O-N 3.1Å | ||
| 188 | R | 53.3 | Low | 58.3 | Low | 220 Ų | 220 | 140.2 Ų | 140.2 | 83% | 0.83 | 68% | 0.682 | S | S | * | * | trans | -70.7 | 78.1 | 158.1 | -126.1 | -179.1 | -177.4 | 155.3 | 1.3 | 103.2 | H186 R190 | H186-R188 PolarHBondContact O-N 2.92Å; R188-R190 PolarHBondContact O-N 3.03Å | ||
| 189 | E | 49.5 | Very low | 56.9 | Low | 135 Ų | 135 | 146.3 Ų | 146.3 | 63% | 0.631 | 71% | 0.707 | S | S | * | * | trans | -51.7 | 79.1 | 157.3 | -170.9 | 73.9 | -137 | 0 | 0 | 105.6 | H187 Q191 | H187-E189 IonicContact CE1-OE2 3.2Å; H187-E189 PolarHBondContact CE1-OE2 3.14Å; H187-E189 IonicContact ND1-OE2 2.74Å; H187-E189 PolarHBondContact ND1-OE2 3.13Å; H187-E189 VanDerWaalsContact ND1-OE2 3.09Å; H187-E189 IonicContact NE2-OE2 3.64Å; H187-E189 PolarHBondContact O-N 3.1Å; E189-Q191 PolarHBondContact O-N 3.47Å | ||
| 190 | R | 51.8 | Low | 55.4 | Low | 183 Ų | 183 | 151.6 Ų | 151.6 | 69% | 0.691 | 72% | 0.716 | S | S | * | * | trans | -66.9 | 96.6 | 160.5 | -83.1 | -164 | -170.6 | -110.4 | 7 | 102.8 | R188 R192 | R188-R190 PolarHBondContact O-N 3.03Å; R190-R192 HydrophobicContact CB-CG 4.23Å; R190-R192 PolarHBondContact O-N 3.09Å | ||
| 191 | Q | 50.4 | Low | 55.1 | Low | 152 Ų | 152 | 152.6 Ų | 152.6 | 71% | 0.71 | 72% | 0.724 | S | S | * | * | trans | -35.5 | 82.8 | 143.4 | -72.9 | -179.7 | -5.2 | 0 | 0 | 108.5 | E189 H193 | E189-Q191 PolarHBondContact O-N 3.47Å; Q191-H193 PolarHBondContact O-N 2.86Å; Q191-H193 VanDerWaalsContact O-N 3.12Å | ||
| 192 | R | 54 | Low | 54.6 | Low | 179 Ų | 179 | 150.4 Ų | 150.4 | 68% | 0.675 | 72% | 0.72 | S | S | * | * | trans | -86.1 | 74.3 | 167.2 | -81.5 | -146.5 | -175.5 | -122.9 | 10.8 | 104.3 | R190 H194 | R190-R192 HydrophobicContact CB-CG 4.23Å; R190-R192 PolarHBondContact O-N 3.09Å; R192-H194 WeakPolarHBondContact CA-ND1 3.2Å; R192-H194 VanDerWaalsContact CB-ND1 3.32Å; R192-H194 WeakPolarHBondContact CB-ND1 3.39Å; R192-H194 VanDerWaalsContact CD-CE1 3.47Å; R192-H194 WeakPolarHBondContact CD-CE1 2.83Å; R192-H194 PolarHBondContact O-N 3.17Å | ||
| 193 | H | 53.5 | Low | 53.9 | Low | 141 Ų | 141 | 154.5 Ų | 154.5 | 65% | 0.653 | 73% | 0.733 | S | S | * | * | trans | -62.6 | 77.7 | 156.1 | -66 | -70.2 | 0 | 0 | 0 | 108 | Q191 | Q191-H193 PolarHBondContact O-N 2.86Å; Q191-H193 VanDerWaalsContact O-N 3.12Å | ||
| 194 | H | 56.5 | Low | 53.4 | Low | 131 Ų | 131 | 158.7 Ų | 158.7 | 61% | 0.606 | 75% | 0.75 | S | S | * | * | trans | -105.2 | 82.9 | 164.7 | -62.6 | 66.1 | 0 | 0 | 0 | 105.7 | R192 | R192-H194 WeakPolarHBondContact CA-ND1 3.2Å; R192-H194 VanDerWaalsContact CB-ND1 3.32Å; R192-H194 WeakPolarHBondContact CB-ND1 3.39Å; R192-H194 VanDerWaalsContact CD-CE1 3.47Å; R192-H194 WeakPolarHBondContact CD-CE1 2.83Å; R192-H194 PolarHBondContact O-N 3.17Å | ||
| 195 | H | 50.6 | Low | 53.2 | Low | 153 Ų | 153 | 164.3 Ų | 164.3 | 71% | 0.708 | 76% | 0.758 | S | S | * | * | trans | -50.5 | 138.7 | 141.1 | -66.6 | 78.6 | 0 | 0 | 0 | 106.3 | ||||
| 196 | H | 59.3 | Low | 52.9 | Low | 176 Ų | 176 | 166.3 Ų | 166.3 | 82% | 0.815 | 76% | 0.759 | S | S | * | * | trans | 162.4 | 101.1 | 148.1 | -82.8 | 100.2 | 0 | 0 | 0 | 109.8 | ||||
| 197 | H | 56.9 | Low | 52.6 | Low | 162 Ų | 162 | 167 Ų | 167 | 75% | 0.75 | 76% | 0.762 | S | S | * | * | trans | 61.3 | 105.4 | 139.3 | -77.1 | 52.5 | 0 | 0 | 0 | 120.2 | H199 | H197-H199 PolarHBondContact O-N 3.34Š| ||
| 198 | H | 46.2 | Very low | 52.1 | Low | 198 Ų | 198 | 164.9 Ų | 164.9 | 92% | 0.917 | 77% | 0.771 | S | S | * | * | trans | -58.3 | 112.9 | 157.3 | -85.4 | -92.3 | 0 | 0 | 0 | 110.8 | ||||
| 199 | H | 58.2 | Low | 51.6 | Low | 175 Ų | 175 | 159.1 Ų | 159.1 | 81% | 0.81 | 77% | 0.771 | S | S | * | * | trans | -128.1 | 121.6 | 156 | -89.6 | -78.9 | 0 | 0 | 0 | 111.1 | H197 | H197-H199 PolarHBondContact O-N 3.34Š| ||
| 200 | H | 46.2 | Very low | 51.3 | Low | 166 Ų | 166 | 157.7 Ų | 157.7 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | trans | -50.5 | 127.8 | 174.5 | 178.5 | 83.4 | 0 | 0 | 0 | 114.7 | ||||
| 201 | L | 59.3 | Low | 51.1 | Low | 172 Ų | 172 | 154 Ų | 154 | 90% | 0.901 | 79% | 0.791 | S | S | * | * | trans | -146.9 | 130.6 | 150.2 | -89.2 | 174.3 | 0 | 0 | 0 | 109.9 | ||||
| 202 | P | 53.4 | Low | 50.6 | Low | 94 Ų | 94 | 156.3 Ų | 156.3 | 61% | 0.61 | 80% | 0.801 | S | S | * | * | trans | -90.4 | 145.7 | -176.9 | 35.3 | -32.2 | 0 | 0 | 0 | 113.2 | ||||
| 203 | Q | 47.1 | Very low | 50.1 | Low | 182 Ų | 182 | 152.6 Ų | 152.6 | 85% | 0.85 | 81% | 0.809 | S | S | * | * | trans | 26.3 | 108.6 | 155.6 | -72.9 | -168.2 | -8.2 | 0 | 0 | 120 | ||||
| 204 | L | 53 | Low | 49.6 | Very low | 176 Ų | 176 | 151.1 Ų | 151.1 | 92% | 0.921 | 82% | 0.821 | S | S | * | * | trans | -128.5 | 92.3 | 143.9 | -98 | 154.6 | 0 | 0 | 0 | 108.2 | M206 | L204-M206 PolarHBondContact O-N 3.23Š| ||
| 205 | R | 52.3 | Low | 49.2 | Very low | 218 Ų | 218 | 149.8 Ų | 149.8 | 82% | 0.823 | 83% | 0.833 | S | S | * | * | trans | -79.5 | 101.2 | 172.5 | 171.9 | -175.6 | -180 | 123.7 | -2.5 | 107.9 | ||||
| 206 | M | 55.2 | Low | 48.9 | Very low | 158 Ų | 158 | 146.6 Ų | 146.6 | 78% | 0.778 | 83% | 0.833 | S | S | * | * | trans | -158.7 | 128 | 158.3 | -78.6 | -48 | 153.6 | 0 | 0 | 110.2 | L204 | L204-M206 PolarHBondContact O-N 3.23Š| ||
| 207 | H | 46.2 | Very low | 48.3 | Very low | 184 Ų | 184 | 147.2 Ų | 147.2 | 85% | 0.852 | 84% | 0.836 | S | S | * | * | trans | 71.9 | 68.4 | 164.8 | -55.9 | -71.3 | 0 | 0 | 0 | 120.4 | ||||
| 208 | A | 40.5 | Very low | 47.8 | Very low | 107 Ų | 107 | 148.7 Ų | 148.7 | 88% | 0.884 | 84% | 0.843 | S | S | * | * | trans | -111.9 | 86 | 154.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 209 | A | 42.9 | Very low | 47.6 | Very low | 100 Ų | 100 | 150.6 Ų | 150.6 | 83% | 0.826 | 84% | 0.842 | S | S | * | * | trans | -166.8 | 62.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 210 | A | 44.9 | Very low | 47 | Very low | 105 Ų | 105 | 150.9 Ų | 150.9 | 87% | 0.868 | 84% | 0.844 | S | S | * | * | S | Bend | trans | -158.9 | 54.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 211 | A | 47 | Very low | 47.2 | Very low | 106 Ų | 106 | 152 Ų | 152 | 88% | 0.876 | 85% | 0.849 | S | S | * | * | S | Bend | trans | -162.4 | -13.7 | 165.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 212 | E | 40.5 | Very low | 46.8 | Very low | 200 Ų | 200 | 149.6 Ų | 149.6 | 94% | 0.935 | 84% | 0.842 | S | S | * | * | S | Bend | trans | -119.9 | 35.8 | -161.8 | -142.4 | -171.9 | 173.7 | 0 | 0 | 115.4 | ||
| 213 | A | 43 | Very low | 46.6 | Very low | 101 Ų | 101 | 153.7 Ų | 153.7 | 84% | 0.835 | 85% | 0.85 | S | S | * | * | trans | -133.3 | 22 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 214 | A | 43.4 | Very low | 46.6 | Very low | 109 Ų | 109 | 154.2 Ų | 154.2 | 90% | 0.901 | 85% | 0.852 | S | S | * | * | S | Bend | trans | -99.6 | 7.5 | -177 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 215 | A | 47 | Very low | 46.1 | Very low | 104 Ų | 104 | 151.3 Ų | 151.3 | 86% | 0.86 | 85% | 0.846 | S | S | * | * | S | Bend | trans | -122.3 | 2 | -170.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 216 | A | 43.5 | Very low | 46 | Very low | 86 Ų | 86 | 146.4 Ų | 146.4 | 71% | 0.711 | 84% | 0.843 | S | S | * | * | S | Bend | trans | -153.5 | 82.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 217 | E | 47.7 | Very low | 45.6 | Very low | 188 Ų | 188 | 147.8 Ų | 147.8 | 88% | 0.879 | 85% | 0.848 | S | S | * | * | trans | 172.6 | 98.7 | 148.9 | -107.4 | 177.8 | 93.1 | 0 | 0 | 110.4 | ||||
| 218 | H | 46.4 | Very low | 45.5 | Very low | 193 Ų | 193 | 150.6 Ų | 150.6 | 89% | 0.894 | 85% | 0.851 | S | S | * | * | trans | -165.8 | 74.3 | 146 | -116.4 | 100.2 | 0 | 0 | 0 | 109.4 | ||||
| 219 | R | 43 | Very low | 46.2 | Very low | 238 Ų | 238 | 150.4 Ų | 150.4 | 90% | 0.898 | 84% | 0.84 | S | S | * | * | trans | -136.5 | 125.4 | 165.2 | -157 | 177.1 | -167.3 | -164.1 | 3.5 | 105.1 | ||||
| 220 | Q | 45.4 | Very low | 46.3 | Very low | 182 Ų | 182 | 149.9 Ų | 149.9 | 85% | 0.85 | 84% | 0.836 | S | S | * | * | trans | 89.5 | 121.8 | -164.9 | -53.8 | 174.4 | -3.8 | 0 | 0 | 110.3 | ||||
| 221 | E | 49.9 | Very low | 46.2 | Very low | 190 Ų | 190 | 156.1 Ų | 156.1 | 89% | 0.888 | 84% | 0.837 | S | S | * | * | -150.7 | 148 | 51.3 | -162.2 | 171.4 | 114.6 | 0 | 0 | 112.7 | |||||
| 222 | V | 50.7 | Low | 46.1 | Very low | 121 Ų | 121 | 157.2 Ų | 157.2 | 73% | 0.733 | 84% | 0.838 | S | S | * | * | trans | -98.2 | 124.4 | 178.7 | 158.5 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 223 | K | 49.1 | Very low | 46.4 | Very low | 179 Ų | 179 | 150.3 Ų | 150.3 | 78% | 0.778 | 82% | 0.821 | S | S | * | * | trans | 133.3 | 109 | 153.2 | -78.5 | 158.7 | 178.4 | -176.4 | 0 | 111.1 | ||||
| 224 | Q | 47.1 | Very low | 46.5 | Very low | 193 Ų | 193 | 156.8 Ų | 156.8 | 90% | 0.902 | 82% | 0.824 | S | S | * | * | 168.9 | 118 | 114.7 | -88.2 | 170.6 | 56 | 0 | 0 | 109.8 | |||||
| 225 | S | 43.2 | Very low | 47.2 | Very low | 115 Ų | 115 | 157.6 Ų | 157.6 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | trans | -76.9 | 145.8 | 167.9 | -163.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 226 | P | 48.9 | Very low | 48 | Very low | 116 Ų | 116 | 161.1 Ų | 161.1 | 75% | 0.753 | 81% | 0.813 | S | S | * | * | -148.1 | 151.8 | 101.1 | 31.5 | -11.6 | 0 | 0 | 0 | 116.4 | |||||
| 227 | Q | 46.6 | Very low | 48.6 | Very low | 187 Ų | 187 | 164.4 Ų | 164.4 | 87% | 0.874 | 82% | 0.819 | S | S | * | * | trans | 56.9 | 106 | 150.1 | -67.9 | -158.3 | -36.8 | 0 | 0 | 120.9 | ||||
| 228 | R | 45.3 | Very low | 49.3 | Very low | 243 Ų | 243 | 160.5 Ų | 160.5 | 92% | 0.917 | 81% | 0.81 | S | S | * | * | trans | -79 | 131 | 164.1 | -56.9 | 170.3 | 72.7 | -156.4 | 4.4 | 109.5 | ||||
| 229 | P | 54.5 | Low | 50.3 | Low | 102 Ų | 102 | 156.4 Ų | 156.4 | 66% | 0.662 | 80% | 0.795 | S | S | * | * | trans | -78.1 | 130.7 | 157.5 | 21.3 | -11.5 | 0 | 0 | 0 | 109.2 | W231 | P229-W231 PolarHBondContact O-N 3.04Š| ||
| 230 | A | 45.1 | Very low | 51.4 | Low | 90 Ų | 90 | 152.9 Ų | 152.9 | 74% | 0.744 | 79% | 0.793 | S | S | * | * | trans | -72.7 | 112.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 231 | W | 43.5 | Very low | 52.2 | Low | 236 Ų | 236 | 149.2 Ų | 149.2 | 89% | 0.894 | 78% | 0.779 | S | S | * | * | trans | -113.8 | 92.7 | 163.6 | -66.6 | -24.9 | 0 | 0 | 0 | 110.3 | P229 G233 | P229-W231 PolarHBondContact O-N 3.04Å; W231-G233 VanDerWaalsContact C-N 3.33Å; W231-G233 PolarHBondContact O-N 3.43Å | ||
| 232 | S | 44.8 | Very low | 52.9 | Low | 128 Ų | 128 | 150 Ų | 150 | 90% | 0.895 | 77% | 0.774 | S | S | * | * | trans | -61.5 | 92.9 | 156.4 | -48.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 233 | G | 46.5 | Very low | 53.3 | Low | 55 Ų | 55 | 147.2 Ų | 147.2 | 57% | 0.567 | 76% | 0.764 | S | S | * | * | trans | -140.7 | 90.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | W231 V235 | W231-G233 VanDerWaalsContact C-N 3.33Å; W231-G233 PolarHBondContact O-N 3.43Å; G233-V235 VanDerWaalsContact C-N 3.31Å; G233-V235 PolarHBondContact O-N 3.04Å | ||
| 234 | R | 45.8 | Very low | 53.6 | Low | 237 Ų | 237 | 144.7 Ų | 144.7 | 89% | 0.894 | 77% | 0.765 | S | S | * | * | trans | -61.4 | 86.5 | 173.5 | 179.4 | -174.2 | -72.2 | -124.8 | -2 | 109.6 | ||||
| 235 | V | 57.8 | Low | 54.1 | Low | 127 Ų | 127 | 140.6 Ų | 140.6 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | trans | -99.3 | 111.3 | 170 | -171.4 | 0 | 0 | 0 | 0 | 108 | G233 N237 | G233-V235 VanDerWaalsContact C-N 3.31Å; G233-V235 PolarHBondContact O-N 3.04Å; V235-N237 PolarHBondContact O-N 3.11Å | ||
| 236 | K | 63.4 | Low | 54.8 | Low | 177 Ų | 177 | 139.8 Ų | 139.8 | 77% | 0.77 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 121.4 | 171.4 | -79.7 | 141.5 | 173 | 177.4 | 0 | 108.2 | ||
| 237 | N | 57 | Low | 54.7 | Low | 155 Ų | 155 | 143.2 Ų | 143.2 | 83% | 0.829 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -50 | 122.6 | 171.2 | -77.5 | -21.5 | 0 | 0 | 0 | 109.1 | V235 D239 | V235-N237 PolarHBondContact O-N 3.11Å; N237-D239 PolarHBondContact O-N 3.34Å |
| 238 | P | 61 | Low | 55.1 | Low | 106 Ų | 106 | 140 Ų | 140 | 69% | 0.688 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 127.1 | 177.1 | 27 | -31.2 | 0 | 0 | 0 | 108.7 | L240 | P238-L240 PolarHBondContact O-N 3.31Å; P238-L240 VanDerWaalsContact O-N 3.11Å |
| 239 | D | 68.4 | Low | 55.6 | Low | 108 Ų | 108 | 133.9 Ų | 133.9 | 58% | 0.578 | 75% | 0.749 | S | S | * | * | trans | -70.1 | 105.6 | 178.8 | -176.6 | 2.2 | 0 | 0 | 0 | 109.9 | N237 N241 R242 | N237-D239 PolarHBondContact O-N 3.34Å; D239-N241 PolarHBondContact O-N 2.86Å; D239-N241 WeakPolarHBondContact OD1-CB 3.4Å; D239-N241 PolarHBondContact OD1-N 3.27Å; D239-R242 PolarHBondContact O-N 3.07Å | ||
| 240 | L | 66.1 | Low | 55.9 | Low | 164 Ų | 164 | 136.2 Ų | 136.2 | 86% | 0.859 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | 4.2 | -179.7 | -66.9 | 167.6 | 0 | 0 | 0 | 113.5 | P238 | P238-L240 PolarHBondContact O-N 3.31Å; P238-L240 VanDerWaalsContact O-N 3.11Å |
| 241 | N | 61.8 | Low | 56.1 | Low | 104 Ų | 104 | 136 Ų | 136 | 56% | 0.556 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114 | 3.7 | -178.9 | -57.3 | -38.7 | 0 | 0 | 0 | 114.6 | T90 D239 A243 | T90-N241 HydrophobicContact CG2-CB 4.27Å; T90-N241 WeakPolarHBondContact CG2-OD1 3.48Å; D239-N241 PolarHBondContact O-N 2.86Å; D239-N241 WeakPolarHBondContact OD1-CB 3.4Å; D239-N241 PolarHBondContact OD1-N 3.27Å; N241-A243 PolarHBondContact O-N 3.37Å |
| 242 | R | 64.2 | Low | 56.5 | Low | 207 Ų | 207 | 137.8 Ų | 137.8 | 78% | 0.781 | 77% | 0.772 | S | S | * | * | trans | -79.2 | 106 | -178.8 | -166.8 | 158 | -178.1 | 168.6 | -1.3 | 110.9 | D239 | D239-R242 PolarHBondContact O-N 3.07Š| ||
| 243 | A | 59.1 | Low | 57 | Low | 63 Ų | 63 | 138.3 Ų | 138.3 | 52% | 0.521 | 77% | 0.766 | S | S | . | * | P | Polyproline II helix | trans | -65.4 | 148.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | N241 S245 | N241-A243 PolarHBondContact O-N 3.37Å; A243-S245 PolarHBondContact O-N 3.49Å |
| 244 | P | 56.6 | Low | 57.6 | Low | 125 Ų | 125 | 142.7 Ų | 142.7 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 123.5 | 171.6 | 28.4 | -32.1 | 0 | 0 | 0 | 108.8 | P246 | P244-P246 WeakPolarHBondContact O-CD 3.47Š|
| 245 | S | 56.7 | Low | 58.3 | Low | 108 Ų | 108 | 137.4 Ų | 137.4 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -66 | 128.1 | 171.7 | -62.3 | 0 | 0 | 0 | 0 | 109.6 | A243 | A243-S245 PolarHBondContact O-N 3.49Š|
| 246 | P | 58.1 | Low | 58.3 | Low | 98 Ų | 98 | 138.1 Ų | 138.1 | 64% | 0.636 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 156.4 | 161.5 | 35 | -29.9 | 0 | 0 | 0 | 109.9 | P244 | P244-P246 WeakPolarHBondContact O-CD 3.47Š|
| 247 | E | 47.1 | Very low | 58 | Low | 188 Ų | 188 | 135.6 Ų | 135.6 | 88% | 0.879 | 77% | 0.77 | S | S | * | * | trans | 80 | 106.9 | 162.3 | -63.3 | 160.3 | 79 | 0 | 0 | 118.4 | ||||
| 248 | S | 54.7 | Low | 58 | Low | 120 Ų | 120 | 134.3 Ų | 134.3 | 84% | 0.839 | 77% | 0.766 | S | S | * | * | -159.8 | 98.3 | 119.3 | -167.2 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 249 | S | 56.3 | Low | 57.8 | Low | 114 Ų | 114 | 136.4 Ų | 136.4 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | trans | -63.5 | 136.6 | 151.7 | -87.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 250 | D | 58.8 | Low | 57 | Low | 151 Ų | 151 | 138.5 Ų | 138.5 | 81% | 0.807 | 79% | 0.787 | S | S | * | * | trans | 177 | 101.7 | 144.7 | -118.4 | -100.4 | 0 | 0 | 0 | 104.5 | ||||
| 251 | A | 51.1 | Low | 56.2 | Low | 85 Ų | 85 | 136.4 Ų | 136.4 | 70% | 0.702 | 78% | 0.781 | S | S | * | * | 61.1 | 85.3 | 81 | 0 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 252 | E | 50.3 | Low | 55.7 | Low | 274 Ų | 274 | 139.4 Ų | 139.4 | 100% | 1.28 | 80% | 0.801 | S | S | * | * | -168.8 | 0 | 124.4 | -118.2 | -179.9 | 84.1 | 0 | 0 | 110.5 |
Retrieved 252 of 252 residues in 186.4 ms
(Link to these results)