| 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 | 40.8 | Very low | 39.2 | Very low | 249 Ų | 249 | 158.8 Ų | 158.8 | 100% | 1.227 | 88% | 0.881 | S | S | * | * | 0 | 114.6 | 0 | -69.8 | 179.2 | -174.3 | 0 | 0 | 107.3 | |||||
| 2 | M | 36.6 | Very low | 39.9 | Very low | 185 Ų | 185 | 155 Ų | 155 | 91% | 0.911 | 87% | 0.869 | S | S | * | * | trans | -62.2 | 146.1 | 168.6 | -69.7 | 170.3 | 149 | 0 | 0 | 108.8 | ||||
| 3 | S | 39.3 | Very low | 40.6 | Very low | 119 Ų | 119 | 150 Ų | 150 | 83% | 0.832 | 86% | 0.859 | S | S | * | * | 166.5 | 155.6 | 92.3 | -51.1 | 0 | 0 | 0 | 0 | 105.8 | |||||
| 4 | A | 40.4 | Very low | 41.5 | Very low | 100 Ų | 100 | 152.7 Ų | 152.7 | 83% | 0.826 | 86% | 0.861 | S | S | * | * | cis | -158.3 | 156.7 | -4.6 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 5 | I | 46.3 | Very low | 42.1 | Very low | 159 Ų | 159 | 153.8 Ų | 153.8 | 82% | 0.815 | 86% | 0.862 | S | S | * | * | trans | -75.8 | 143.5 | 174.2 | -62.6 | 153.2 | 0 | 0 | 0 | 108.7 | ||||
| 6 | E | 34.8 | Very low | 42.6 | Very low | 194 Ų | 194 | 153.3 Ų | 153.3 | 91% | 0.907 | 86% | 0.856 | S | S | * | * | trans | -157.2 | 123.6 | 141.1 | -123.5 | 165.8 | -174.9 | 0 | 0 | 113.7 | ||||
| 7 | A | 42.4 | Very low | 43.3 | Very low | 93 Ų | 93 | 149 Ų | 149 | 77% | 0.769 | 84% | 0.839 | S | S | * | * | trans | -82 | 128.5 | 173 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 8 | G | 34.6 | Very low | 43.6 | Very low | 81 Ų | 81 | 153.7 Ų | 153.7 | 84% | 0.835 | 84% | 0.841 | S | S | * | * | trans | -108.8 | 109.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 9 | L | 34.4 | Very low | 44.3 | Very low | 166 Ų | 166 | 151.6 Ų | 151.6 | 87% | 0.869 | 83% | 0.834 | S | S | * | * | trans | -61.4 | 134.8 | 179.4 | -72.3 | 147.9 | 0 | 0 | 0 | 112.3 | ||||
| 10 | Y | 40.1 | Very low | 44.8 | Very low | 228 Ų | 228 | 152.9 Ų | 152.9 | 89% | 0.894 | 83% | 0.827 | S | S | * | * | trans | -78 | 118.8 | 167.7 | -164 | -99.5 | 0 | 0 | 0 | 108.7 | ||||
| 11 | Q | 42 | Very low | 44.9 | Very low | 173 Ų | 173 | 153.4 Ų | 153.4 | 81% | 0.808 | 83% | 0.826 | S | S | * | * | trans | -130.4 | 139.9 | 172.5 | -128.6 | 174.4 | -13.2 | 0 | 0 | 110.3 | ||||
| 12 | P | 47.5 | Very low | 45.3 | Very low | 113 Ų | 113 | 146.6 Ų | 146.6 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | trans | -99.3 | 120.6 | -159.8 | 35.2 | -25.3 | 0 | 0 | 0 | 111.6 | ||||
| 13 | A | 49 | Very low | 46 | Very low | 90 Ų | 90 | 145.4 Ų | 145.4 | 74% | 0.744 | 80% | 0.799 | S | S | * | * | trans | -148.3 | 32.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 14 | Q | 52.6 | Low | 46.6 | Very low | 188 Ų | 188 | 146.8 Ų | 146.8 | 88% | 0.879 | 79% | 0.792 | S | S | * | * | trans | -94.1 | 14.1 | -178.7 | -72.3 | -91.7 | -34 | 0 | 0 | 114.4 | ||||
| 15 | L | 50.4 | Low | 46.4 | Very low | 169 Ų | 169 | 150.1 Ų | 150.1 | 89% | 0.885 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -103.5 | 15.6 | -178.9 | -80.8 | 172.7 | 0 | 0 | 0 | 115.3 | ||
| 16 | L | 50.5 | Low | 46.2 | Very low | 145 Ų | 145 | 147.1 Ų | 147.1 | 76% | 0.759 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -114.8 | 13.1 | 177.1 | -72.9 | 170.6 | 0 | 0 | 0 | 114.2 | ||
| 17 | S | 54.6 | Low | 46.3 | Very low | 81 Ų | 81 | 144.1 Ų | 144.1 | 57% | 0.566 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -81.2 | -21.6 | 179.7 | -173.6 | 0 | 0 | 0 | 0 | 114.2 | ||
| 18 | W | 49 | Very low | 45.8 | Very low | 233 Ų | 233 | 143.3 Ų | 143.3 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -90.6 | -13.9 | -172.6 | -67.6 | -8.7 | 0 | 0 | 0 | 114.7 | ||
| 19 | V | 57 | Low | 45.9 | Very low | 115 Ų | 115 | 145.2 Ų | 145.2 | 70% | 0.697 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -84.2 | -22.5 | 178 | -179.5 | 0 | 0 | 0 | 0 | 111.9 | ||
| 20 | Y | 53.5 | Low | 45.8 | Very low | 177 Ų | 177 | 141.9 Ų | 141.9 | 69% | 0.694 | 79% | 0.79 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | -7.5 | -169.6 | -167.1 | -106.1 | 0 | 0 | 0 | 115.6 | ||
| 21 | M | 47.7 | Very low | 45.5 | Very low | 164 Ų | 164 | 139.2 Ų | 139.2 | 81% | 0.808 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101 | 0.8 | -178.6 | -82.9 | -161.6 | 71.9 | 0 | 0 | 115.5 | ||
| 22 | S | 48.1 | Very low | 45 | Very low | 105 Ų | 105 | 138.3 Ų | 138.3 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -96.2 | 9.8 | -177.9 | -60.3 | 0 | 0 | 0 | 0 | 114.9 | ||
| 23 | L | 51.1 | Low | 44.1 | Very low | 161 Ų | 161 | 136.5 Ų | 136.5 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -122.4 | 18.9 | -174.6 | -75.4 | 172.4 | 0 | 0 | 0 | 115.3 | ||
| 24 | Q | 52 | Low | 43.1 | Very low | 147 Ų | 147 | 138.9 Ų | 138.9 | 69% | 0.687 | 79% | 0.791 | S | S | * | * | trans | -126 | 30.6 | -175.6 | -85.7 | 176.3 | 14.4 | 0 | 0 | 116.6 | ||||
| 25 | D | 37.8 | Very low | 41.9 | Very low | 171 Ų | 171 | 138.6 Ų | 138.6 | 91% | 0.914 | 79% | 0.787 | S | S | * | * | trans | -126.9 | 79.9 | 161.9 | -83.1 | -46.1 | 0 | 0 | 0 | 111.7 | ||||
| 26 | A | 41.2 | Very low | 40.9 | Very low | 96 Ų | 96 | 135.7 Ų | 135.7 | 79% | 0.793 | 78% | 0.776 | S | S | * | * | trans | -152.6 | 109.2 | 154.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 27 | P | 36.6 | Very low | 39.7 | Very low | 130 Ų | 130 | 136.7 Ų | 136.7 | 84% | 0.844 | 78% | 0.777 | S | S | * | * | trans | -99.1 | 120.3 | 158 | 27.3 | -17.1 | 0 | 0 | 0 | 110.1 | ||||
| 28 | G | 33.4 | Very low | 38.5 | Very low | 76 Ų | 76 | 137.7 Ų | 137.7 | 78% | 0.784 | 78% | 0.784 | S | S | * | * | trans | -79.6 | 150.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 29 | S | 36.5 | Very low | 37.5 | Very low | 122 Ų | 122 | 133.8 Ų | 133.8 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | trans | 7.3 | 124.4 | 147.6 | -176.1 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 30 | A | 31.4 | Very low | 36.2 | Very low | 96 Ų | 96 | 133.1 Ų | 133.1 | 79% | 0.793 | 78% | 0.78 | S | S | * | * | trans | -142.7 | 144.2 | 145.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 31 | F | 34 | Very low | 35 | Very low | 171 Ų | 171 | 129.6 Ų | 129.6 | 75% | 0.75 | 78% | 0.782 | S | S | * | * | trans | -92.3 | 146.4 | -166.2 | 56.2 | -83 | 0 | 0 | 0 | 112.4 | ||||
| 32 | D | 32 | Very low | 34.2 | Very low | 154 Ų | 154 | 127.8 Ų | 127.8 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | 165.3 | 145.8 | 116.5 | -115.4 | -22.4 | 0 | 0 | 0 | 112.3 | |||||
| 33 | G | 28.1 | Very low | 33.6 | Very low | 75 Ų | 75 | 134.2 Ų | 134.2 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | trans | 126 | 87.4 | 154.4 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 34 | V | 28 | Very low | 32.6 | Very low | 140 Ų | 140 | 133.4 Ų | 133.4 | 85% | 0.848 | 79% | 0.785 | S | S | * | * | trans | -50.8 | 137.4 | 172.6 | -173.3 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 35 | K | 27.5 | Very low | 31.8 | Very low | 183 Ų | 183 | 129.7 Ų | 129.7 | 80% | 0.796 | 79% | 0.786 | S | S | * | * | 155.8 | 110.1 | 109.7 | -158.6 | 170.8 | 178.7 | 179.9 | 0 | 116.2 | |||||
| 36 | V | 28.4 | Very low | 32 | Very low | 108 Ų | 108 | 126.7 Ų | 126.7 | 66% | 0.655 | 77% | 0.774 | S | S | * | * | trans | 40.2 | 122.8 | 132.8 | -159.2 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 37 | E | 26.3 | Very low | 32 | Very low | 166 Ų | 166 | 131.4 Ų | 131.4 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | 166.2 | 121.6 | 112.8 | -74.7 | -92 | 106.7 | 0 | 0 | 111 | |||||
| 38 | S | 28.7 | Very low | 32.1 | Very low | 101 Ų | 101 | 136.5 Ų | 136.5 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | trans | 51 | 137.4 | 136.4 | -30.9 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 39 | D | 28.4 | Very low | 32.5 | Very low | 151 Ų | 151 | 139.6 Ų | 139.6 | 81% | 0.807 | 78% | 0.779 | S | S | * | * | cis | -169.9 | 150.8 | 14.8 | -145.3 | -9.5 | 0 | 0 | 0 | 111.7 | ||||
| 40 | S | 29.1 | Very low | 32.7 | Very low | 101 Ų | 101 | 138 Ų | 138 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | trans | 71.8 | 126 | 152.2 | 82.7 | 0 | 0 | 0 | 0 | 126.3 | ||||
| 41 | S | 29.9 | Very low | 33.3 | Very low | 103 Ų | 103 | 137.1 Ų | 137.1 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | trans | 102.8 | 99.4 | 134.4 | 75.1 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 42 | T | 30.6 | Very low | 33.8 | Very low | 127 Ų | 127 | 134.2 Ų | 134.2 | 78% | 0.779 | 76% | 0.758 | S | S | * | * | trans | 59.7 | 114.2 | 132.1 | 38.9 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 43 | R | 34.7 | Very low | 34.5 | Very low | 240 Ų | 240 | 133.1 Ų | 133.1 | 91% | 0.906 | 75% | 0.752 | S | S | * | * | 53 | 140.5 | 127 | -67.8 | -176.9 | 150.8 | -174.9 | -7.8 | 119.9 | |||||
| 44 | D | 29.6 | Very low | 35.7 | Very low | 143 Ų | 143 | 132.9 Ų | 132.9 | 77% | 0.765 | 74% | 0.738 | S | S | * | * | cis | -162.2 | 154 | 23.6 | -171.4 | 21.7 | 0 | 0 | 0 | 110.4 | ||||
| 45 | G | 35.4 | Very low | 36.8 | Very low | 69 Ų | 69 | 129.6 Ų | 129.6 | 71% | 0.711 | 72% | 0.722 | S | S | * | * | trans | -128 | 122.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 46 | T | 42.3 | Very low | 38.3 | Very low | 108 Ų | 108 | 125.4 Ų | 125.4 | 66% | 0.663 | 71% | 0.708 | S | S | * | * | trans | -147.1 | 88.8 | 174 | -48.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 47 | E | 40.4 | Very low | 39.5 | Very low | 196 Ų | 196 | 128.8 Ų | 128.8 | 92% | 0.916 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -161.9 | 26.7 | 166.8 | -119.2 | 171.3 | -147.6 | 0 | 0 | 116.3 | ||
| 48 | R | 40.3 | Very low | 40.8 | Very low | 236 Ų | 236 | 125.6 Ų | 125.6 | 89% | 0.891 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -127.8 | 11.9 | 178.1 | -66.9 | -168.8 | -177.8 | -157.1 | 1.7 | 116.5 | ||
| 49 | I | 41.2 | Very low | 42.1 | Very low | 142 Ų | 142 | 124 Ų | 124 | 73% | 0.728 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -103 | -8.9 | -170.7 | -57.1 | 178.3 | 0 | 0 | 0 | 113.7 | ||
| 50 | A | 41.4 | Very low | 43.4 | Very low | 88 Ų | 88 | 121.4 Ų | 121.4 | 73% | 0.727 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -83.9 | -27.5 | -170.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 51 | A | 43.3 | Very low | 45 | Very low | 77 Ų | 77 | 122.1 Ų | 122.1 | 64% | 0.636 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -78.6 | -35.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L53 S54 | A51-L53 VanDerWaalsContact C-N 3.32Å; A51-L53 PolarHBondContact O-N 3.43Å; A51-S54 PolarHBondContact O-N 3.11Å |
| 52 | D | 43.6 | Very low | 46.2 | Very low | 111 Ų | 111 | 123.8 Ų | 123.8 | 59% | 0.594 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -73.7 | -24.4 | -177.8 | -66.2 | -31.3 | 0 | 0 | 0 | 112.7 | N56 | D52-N56 PolarHBondContact O-ND2 3.08Å |
| 53 | L | 48.4 | Very low | 47.2 | Very low | 131 Ų | 131 | 123.4 Ų | 123.4 | 69% | 0.686 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -72.6 | -31 | 177.9 | -162.2 | 65.5 | 0 | 0 | 0 | 112.2 | A51 Y57 | A51-L53 VanDerWaalsContact C-N 3.32Å; A51-L53 PolarHBondContact O-N 3.43Å; L53-Y57 PolarHBondContact O-N 2.88Å |
| 54 | S | 52.5 | Low | 48.2 | Very low | 70 Ų | 70 | 117.6 Ų | 117.6 | 49% | 0.49 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -75.7 | -39.1 | -177.8 | -174.4 | 0 | 0 | 0 | 0 | 112.9 | A51 Y57 L58 | A51-S54 PolarHBondContact O-N 3.11Å; S54-Y57 PolarHBondContact O-N 3.48Å; S54-L58 PolarHBondContact O-N 2.84Å; S54-L58 VanDerWaalsContact O-N 3.14Å |
| 55 | S | 51.1 | Low | 49.3 | Very low | 71 Ų | 71 | 114.2 Ų | 114.2 | 50% | 0.497 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -68 | -38.8 | 179.2 | -172.3 | 0 | 0 | 0 | 0 | 112.6 | S59 | S55-S59 WeakPolarHBondContact O-CB 3.3Å; S55-S59 PolarHBondContact O-N 3.17Å; S55-S59 PolarHBondContact O-OG 3.31Å |
| 56 | N | 58.1 | Low | 50.2 | Low | 94 Ų | 94 | 114.7 Ų | 114.7 | 50% | 0.503 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -68.4 | -35.8 | 175.3 | -74.9 | -54.7 | 0 | 0 | 0 | 111.7 | D52 N60 | D52-N56 PolarHBondContact O-ND2 3.08Å; N56-N60 WeakPolarHBondContact O-CB 3.35Å; N56-N60 PolarHBondContact O-N 3.05Å; N56-N60 PolarHBondContact O-ND2 2.98Å |
| 57 | Y | 53.7 | Low | 50.6 | Low | 179 Ų | 179 | 113.8 Ų | 113.8 | 70% | 0.702 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -69.4 | -41.7 | 178.9 | -150.1 | -92.5 | 0 | 0 | 0 | 112.5 | L53 S54 F61 | L53-Y57 PolarHBondContact O-N 2.88Å; S54-Y57 PolarHBondContact O-N 3.48Å; Y57-F61 WeakPolarHBondContact O-CB 3.24Å; Y57-F61 PolarHBondContact O-N 3.44Å |
| 58 | L | 54.8 | Low | 51.2 | Low | 99 Ų | 99 | 107.1 Ų | 107.1 | 52% | 0.518 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -66.8 | -45.1 | 174.9 | -69.9 | 175.8 | 0 | 0 | 0 | 111.3 | S54 N60 F61 F62 | S54-L58 PolarHBondContact O-N 2.84Å; S54-L58 VanDerWaalsContact O-N 3.14Å; L58-N60 VanDerWaalsContact C-N 3.35Å; L58-N60 PolarHBondContact O-N 3.31Å; L58-F61 WeakPolarHBondContact O-CB 3.34Å; L58-F61 PolarHBondContact O-N 3.27Å; L58-F62 WeakPolarHBondContact O-CD2 3.42Å; L58-F62 PolarHBondContact O-N 2.89Å |
| 59 | S | 55 | Low | 51.8 | Low | 68 Ų | 68 | 101.2 Ų | 101.2 | 48% | 0.476 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61.5 | -42.5 | 176.6 | -66 | 0 | 0 | 0 | 0 | 112.2 | S55 F61 F62 H63 | S55-S59 WeakPolarHBondContact O-CB 3.3Å; S55-S59 PolarHBondContact O-N 3.17Å; S55-S59 PolarHBondContact O-OG 3.31Å; S59-F61 VanDerWaalsContact C-N 3.34Å; S59-F61 PolarHBondContact O-N 3.19Å; S59-F62 PolarHBondContact O-N 2.86Å; S59-H63 WeakPolarHBondContact O-CB 3.45Å; S59-H63 PolarHBondContact O-N 3.44Å |
| 60 | N | 55.8 | Low | 52.3 | Low | 96 Ų | 96 | 97.9 Ų | 97.9 | 51% | 0.513 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.4 | -36.1 | 175.8 | -73.5 | -31.5 | 0 | 0 | 0 | 112.2 | N56 L58 H63 L64 | N56-N60 WeakPolarHBondContact O-CB 3.35Å; N56-N60 PolarHBondContact O-N 3.05Å; N56-N60 PolarHBondContact O-ND2 2.98Å; L58-N60 VanDerWaalsContact C-N 3.35Å; L58-N60 PolarHBondContact O-N 3.31Å; N60-H63 PolarHBondContact O-N 3.36Å; N60-L64 WeakPolarHBondContact O-CB 3.12Å; N60-L64 PolarHBondContact O-N 2.96Å |
| 61 | F | 64 | Low | 52.6 | Low | 117 Ų | 117 | 101.3 Ų | 101.3 | 51% | 0.513 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.2 | -41.2 | 175.7 | -176.9 | -97.5 | 0 | 0 | 0 | 112.4 | Y57 L58 S59 N65 | Y57-F61 WeakPolarHBondContact O-CB 3.24Å; Y57-F61 PolarHBondContact O-N 3.44Å; L58-F61 WeakPolarHBondContact O-CB 3.34Å; L58-F61 PolarHBondContact O-N 3.27Å; S59-F61 VanDerWaalsContact C-N 3.34Å; S59-F61 PolarHBondContact O-N 3.19Å; F61-N65 WeakPolarHBondContact CD1-ND2 3.46Å; F61-N65 WeakPolarHBondContact CE1-ND2 3.37Å; F61-N65 VanDerWaalsContact CZ-ND2 3.27Å; F61-N65 WeakPolarHBondContact CZ-ND2 3.49Å; F61-N65 WeakPolarHBondContact O-CB 3.44Å; F61-N65 PolarHBondContact O-N 3.06Å; F61-N65 VanDerWaalsContact O-N 3.13Å; F61-N65 PolarHBondContact O-ND2 3.19Å |
| 62 | F | 53.5 | Low | 52.8 | Low | 137 Ų | 137 | 102.2 Ų | 102.2 | 60% | 0.601 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -68.1 | -37.8 | 174.3 | -74.1 | -68.5 | 0 | 0 | 0 | 112 | L58 S59 T66 | L58-F62 WeakPolarHBondContact O-CD2 3.42Å; L58-F62 PolarHBondContact O-N 2.89Å; S59-F62 PolarHBondContact O-N 2.86Å; F62-T66 WeakPolarHBondContact O-CB 3.26Å; F62-T66 PolarHBondContact O-N 2.85Å; F62-T66 PolarHBondContact O-OG1 2.97Å |
| 63 | H | 53 | Low | 53.1 | Low | 120 Ų | 120 | 104.9 Ų | 104.9 | 56% | 0.556 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -67.4 | -44.9 | 177.2 | -142.3 | 75.8 | 0 | 0 | 0 | 112.2 | S59 N60 N65 T66 E67 | S59-H63 WeakPolarHBondContact O-CB 3.45Å; S59-H63 PolarHBondContact O-N 3.44Å; N60-H63 PolarHBondContact O-N 3.36Å; H63-N65 PolarHBondContact O-N 3.11Å; H63-T66 PolarHBondContact O-N 3.38Å; H63-E67 IonicContact CD2-OE1 2.76Å; H63-E67 IonicContact NE2-OE1 3.97Å; H63-E67 PolarHBondContact O-N 2.94Å |
| 64 | L | 54.5 | Low | 53.1 | Low | 117 Ų | 117 | 108.9 Ų | 108.9 | 61% | 0.613 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -62.2 | -40.3 | 176.6 | -89.4 | 154.3 | 0 | 0 | 0 | 112.8 | N60 T66 E67 A68 | N60-L64 WeakPolarHBondContact O-CB 3.12Å; N60-L64 PolarHBondContact O-N 2.96Å; L64-T66 VanDerWaalsContact C-N 3.35Å; L64-E67 PolarHBondContact O-N 2.93Å; L64-A68 WeakPolarHBondContact O-CB 3.26Å; L64-A68 PolarHBondContact O-N 3.47Å |
| 65 | N | 52.6 | Low | 52.5 | Low | 73 Ų | 73 | 114.7 Ų | 114.7 | 39% | 0.39 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -69.2 | -33.8 | 175.4 | -79.1 | -55.9 | 0 | 0 | 0 | 112.3 | F61 H63 A68 L69 | F61-N65 WeakPolarHBondContact CD1-ND2 3.46Å; F61-N65 WeakPolarHBondContact CE1-ND2 3.37Å; F61-N65 VanDerWaalsContact CZ-ND2 3.27Å; F61-N65 WeakPolarHBondContact CZ-ND2 3.49Å; F61-N65 WeakPolarHBondContact O-CB 3.44Å; F61-N65 PolarHBondContact O-N 3.06Å; F61-N65 VanDerWaalsContact O-N 3.13Å; F61-N65 PolarHBondContact O-ND2 3.19Å; H63-N65 PolarHBondContact O-N 3.11Å; N65-A68 PolarHBondContact O-N 3.47Å; N65-L69 VanDerWaalsContact O-CG 3.28Å; N65-L69 WeakPolarHBondContact O-CG 3.34Å; N65-L69 PolarHBondContact O-N 3.18Å |
| 66 | T | 53.8 | Low | 52.3 | Low | 79 Ų | 79 | 114.6 Ų | 114.6 | 49% | 0.485 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -68.7 | -39 | 175.6 | -53.2 | 0 | 0 | 0 | 0 | 111.3 | F62 H63 L64 L69 T70 | F62-T66 WeakPolarHBondContact O-CB 3.26Å; F62-T66 PolarHBondContact O-N 2.85Å; F62-T66 PolarHBondContact O-OG1 2.97Å; H63-T66 PolarHBondContact O-N 3.38Å; L64-T66 VanDerWaalsContact C-N 3.35Å; T66-L69 PolarHBondContact O-N 3.42Å; T66-T70 WeakPolarHBondContact O-CB 3.31Å; T66-T70 VanDerWaalsContact O-CG2 3.26Å; T66-T70 WeakPolarHBondContact O-CG2 3.38Å; T66-T70 PolarHBondContact O-N 2.69Å; T66-T70 PolarHBondContact O-OG1 3.05Å |
| 67 | E | 50.8 | Low | 51.5 | Low | 89 Ų | 89 | 115.8 Ų | 115.8 | 42% | 0.416 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -67.6 | -35.7 | 173 | -72.3 | -174.2 | -171.6 | 0 | 0 | 113 | H63 L64 T70 K71 | H63-E67 IonicContact CD2-OE1 2.76Å; H63-E67 IonicContact NE2-OE1 3.97Å; H63-E67 PolarHBondContact O-N 2.94Å; L64-E67 PolarHBondContact O-N 2.93Å; E67-T70 WeakPolarHBondContact CA-OG1 3.43Å; E67-T70 PolarHBondContact O-OG1 3.01Å; E67-K71 WeakPolarHBondContact O-CB 3.28Å; E67-K71 PolarHBondContact O-N 3.39Å |
| 68 | A | 53.3 | Low | 51.2 | Low | 55 Ų | 55 | 111.9 Ų | 111.9 | 46% | 0.455 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -68.2 | -37.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L64 N65 S72 | L64-A68 WeakPolarHBondContact O-CB 3.26Å; L64-A68 PolarHBondContact O-N 3.47Å; N65-A68 PolarHBondContact O-N 3.47Å; A68-S72 PolarHBondContact O-N 3.47Å; A68-S72 PolarHBondContact O-OG 2.88Å; A68-S72 VanDerWaalsContact O-OG 3.06Å |
| 69 | L | 52.9 | Low | 51 | Low | 112 Ų | 112 | 113.3 Ų | 113.3 | 59% | 0.586 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -69.2 | -48.4 | 173.9 | -71.7 | 168.5 | 0 | 0 | 0 | 110.7 | N65 T66 K71 S72 F73 | N65-L69 VanDerWaalsContact O-CG 3.28Å; N65-L69 WeakPolarHBondContact O-CG 3.34Å; N65-L69 PolarHBondContact O-N 3.18Å; T66-L69 PolarHBondContact O-N 3.42Å; L69-K71 PolarHBondContact O-N 2.99Å; L69-S72 WeakPolarHBondContact O-CB 3.22Å; L69-S72 PolarHBondContact O-N 2.94Å; L69-S72 VanDerWaalsContact O-N 3.11Å; L69-F73 WeakPolarHBondContact O-CD2 3.44Å |
| 70 | T | 52.6 | Low | 50.7 | Low | 73 Ų | 73 | 121 Ų | 121 | 45% | 0.448 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -68.4 | -32.3 | -177.3 | 53.1 | 0 | 0 | 0 | 0 | 113.7 | T66 E67 S72 F73 | T66-T70 WeakPolarHBondContact O-CB 3.31Å; T66-T70 VanDerWaalsContact O-CG2 3.26Å; T66-T70 WeakPolarHBondContact O-CG2 3.38Å; T66-T70 PolarHBondContact O-N 2.69Å; T66-T70 PolarHBondContact O-OG1 3.05Å; E67-T70 WeakPolarHBondContact CA-OG1 3.43Å; E67-T70 PolarHBondContact O-OG1 3.01Å; T70-S72 VanDerWaalsContact C-N 3.28Å; T70-S72 PolarHBondContact O-N 3.48Å; T70-F73 PolarHBondContact O-N 3.17Å |
| 71 | K | 48.5 | Very low | 50.7 | Low | 160 Ų | 160 | 119 Ų | 119 | 70% | 0.696 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -69.2 | -22.7 | 171.6 | -86.3 | 177.4 | 177.8 | 163.2 | 0 | 113.8 | E67 L69 | E67-K71 WeakPolarHBondContact O-CB 3.28Å; E67-K71 PolarHBondContact O-N 3.39Å; L69-K71 PolarHBondContact O-N 2.99Å |
| 72 | S | 47.4 | Very low | 50.4 | Low | 96 Ų | 96 | 116.8 Ų | 116.8 | 67% | 0.671 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -78.8 | -18.4 | 176.3 | -64.2 | 0 | 0 | 0 | 0 | 113.2 | A68 L69 T70 | A68-S72 PolarHBondContact O-N 3.47Å; A68-S72 PolarHBondContact O-OG 2.88Å; A68-S72 VanDerWaalsContact O-OG 3.06Å; L69-S72 WeakPolarHBondContact O-CB 3.22Å; L69-S72 PolarHBondContact O-N 2.94Å; L69-S72 VanDerWaalsContact O-N 3.11Å; T70-S72 VanDerWaalsContact C-N 3.28Å; T70-S72 PolarHBondContact O-N 3.48Å |
| 73 | F | 47.9 | Very low | 50.6 | Low | 166 Ų | 166 | 118.7 Ų | 118.7 | 73% | 0.728 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -87.1 | -16.8 | -178.8 | -79.6 | -76.1 | 0 | 0 | 0 | 115.1 | L69 T70 | L69-F73 WeakPolarHBondContact O-CD2 3.44Å; T70-F73 PolarHBondContact O-N 3.17Å |
| 74 | Y | 48.6 | Very low | 51.1 | Low | 215 Ų | 215 | 116.3 Ų | 116.3 | 84% | 0.843 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -106.6 | 6.4 | -177.2 | -71.3 | -74.5 | 0 | 0 | 0 | 115.3 | ||
| 75 | K | 40.9 | Very low | 51.7 | Low | 193 Ų | 193 | 116.3 Ų | 116.3 | 84% | 0.839 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -111.7 | 71.6 | 176.5 | -147.3 | 167.7 | -174.5 | 176.9 | 0 | 112.6 | ||
| 76 | G | 45.8 | Very low | 52.8 | Low | 69 Ų | 69 | 116.9 Ų | 116.9 | 71% | 0.711 | 64% | 0.643 | S | S | * | * | trans | 62.9 | 108.3 | 140.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 77 | S | 41.7 | Very low | 53.7 | Low | 118 Ų | 118 | 116.8 Ų | 116.8 | 83% | 0.825 | 64% | 0.642 | S | S | * | * | -176.5 | 132.5 | 123.5 | 33.1 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 78 | S | 46.8 | Very low | 54.7 | Low | 97 Ų | 97 | 117.3 Ų | 117.3 | 68% | 0.678 | 65% | 0.648 | S | S | * | * | trans | 40 | 131.6 | 146.4 | -159 | 0 | 0 | 0 | 0 | 121.2 | Y80 | S78-Y80 VanDerWaalsContact C-N 3.29Å; S78-Y80 PolarHBondContact O-N 3.21Å; S78-Y80 VanDerWaalsContact O-N 3.08Å | ||
| 79 | P | 51.8 | Low | 55.8 | Low | 130 Ų | 130 | 116.7 Ų | 116.7 | 84% | 0.844 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -79.4 | 13 | -171.8 | 13 | 1.5 | 0 | 0 | 0 | 116.4 | ||
| 80 | Y | 47.8 | Very low | 57 | Low | 229 Ų | 229 | 116.2 Ų | 116.2 | 90% | 0.898 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -134.7 | 90.8 | -177.4 | -118.5 | -98.9 | 0 | 0 | 0 | 110.8 | S78 | S78-Y80 VanDerWaalsContact C-N 3.29Å; S78-Y80 PolarHBondContact O-N 3.21Å; S78-Y80 VanDerWaalsContact O-N 3.08Å |
| 81 | G | 56.7 | Low | 58.1 | Low | 54 Ų | 54 | 117 Ų | 117 | 56% | 0.557 | 65% | 0.645 | S | S | * | * | S | Bend | trans | 153.9 | 10.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | N85 | G81-N85 PolarHBondContact O-ND2 3.04Š|
| 82 | S | 56.8 | Low | 59.4 | Low | 70 Ų | 70 | 112.1 Ų | 112.1 | 49% | 0.49 | 63% | 0.631 | S | S | . | * | trans | -92.2 | -12.3 | -162.3 | -168.7 | 0 | 0 | 0 | 0 | 115.6 | I86 | S82-I86 WeakPolarHBondContact O-CD1 3.04Å; S82-I86 VanDerWaalsContact O-CG1 3.3Å; S82-I86 WeakPolarHBondContact O-CG1 3.46Å | ||
| 83 | F | 58.4 | Low | 61 | Low | 177 Ų | 177 | 111.6 Ų | 111.6 | 78% | 0.776 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -78.1 | -34.3 | -172.8 | -68 | -74.3 | 0 | 0 | 0 | 114.6 | I86 V87 | F83-I86 PolarHBondContact O-N 2.85Å; F83-V87 WeakPolarHBondContact O-CG2 3.33Å; F83-V87 PolarHBondContact O-N 3.34Å; F83-V87 VanDerWaalsContact O-N 3.11Å |
| 84 | S | 63.5 | Low | 62.4 | Low | 70 Ų | 70 | 106 Ų | 106 | 49% | 0.49 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -65.4 | -45.1 | 179.4 | 48.4 | 0 | 0 | 0 | 0 | 112 | I86 V87 D88 | S84-I86 VanDerWaalsContact C-N 3.28Å; S84-I86 PolarHBondContact O-N 3.36Å; S84-V87 PolarHBondContact O-N 2.89Å; S84-D88 WeakPolarHBondContact O-CB 3.42Å; S84-D88 VanDerWaalsContact O-CG 3.26Å; S84-D88 PolarHBondContact O-N 3.36Å |
| 85 | N | 67.7 | Low | 63.5 | Low | 117 Ų | 117 | 101 Ų | 101 | 63% | 0.626 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -64.4 | -31.6 | 179.9 | -64.8 | -69 | 0 | 0 | 0 | 113 | G81 G89 | G81-N85 PolarHBondContact O-ND2 3.04Å; N85-G89 PolarHBondContact O-N 3.45Å |
| 86 | I | 73.8 | Confident | 64.9 | Low | 86 Ų | 86 | 96.9 Ų | 96.9 | 44% | 0.441 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -72.4 | -45.3 | 175.3 | -64.7 | 167.1 | 0 | 0 | 0 | 110 | S82 F83 S84 G89 L90 | S82-I86 WeakPolarHBondContact O-CD1 3.04Å; S82-I86 VanDerWaalsContact O-CG1 3.3Å; S82-I86 WeakPolarHBondContact O-CG1 3.46Å; F83-I86 PolarHBondContact O-N 2.85Å; S84-I86 VanDerWaalsContact C-N 3.28Å; S84-I86 PolarHBondContact O-N 3.36Å; I86-G89 PolarHBondContact O-N 3.1Å; I86-L90 HydrophobicContact CG2-CD1 3.93Å; I86-L90 HydrophobicContact CG2-CG 4.33Å; I86-L90 WeakPolarHBondContact O-CB 3.27Å; I86-L90 VanDerWaalsContact O-CG 3.24Å; I86-L90 WeakPolarHBondContact O-CG 3.18Å; I86-L90 PolarHBondContact O-N 3.45Å |
| 87 | V | 74.4 | Confident | 66.1 | Low | 77 Ų | 77 | 99.8 Ų | 99.8 | 47% | 0.467 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -64.5 | -42.7 | 179.5 | 171.9 | 0 | 0 | 0 | 0 | 111.2 | F83 S84 G89 L90 N91 | F83-V87 WeakPolarHBondContact O-CG2 3.33Å; F83-V87 PolarHBondContact O-N 3.34Å; F83-V87 VanDerWaalsContact O-N 3.11Å; S84-V87 PolarHBondContact O-N 2.89Å; V87-G89 VanDerWaalsContact C-N 3.34Å; V87-L90 PolarHBondContact O-N 2.94Å; V87-N91 WeakPolarHBondContact O-CB 3.48Å; V87-N91 VanDerWaalsContact O-CG 3.28Å; V87-N91 PolarHBondContact O-N 3.4Å; V87-N91 PolarHBondContact O-ND2 3.47Å; V87-N91 VanDerWaalsContact O-ND2 3.17Å |
| 88 | D | 71.8 | Confident | 67.2 | Low | 100 Ų | 100 | 98.3 Ų | 98.3 | 54% | 0.535 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -66.4 | -37.8 | 176.6 | -66 | -30.6 | 0 | 0 | 0 | 111.5 | S84 N91 S92 | S84-D88 WeakPolarHBondContact O-CB 3.42Å; S84-D88 VanDerWaalsContact O-CG 3.26Å; S84-D88 PolarHBondContact O-N 3.36Å; D88-N91 PolarHBondContact O-N 3.13Å; D88-S92 WeakPolarHBondContact O-CB 3.46Å; D88-S92 PolarHBondContact O-N 3.01Å |
| 89 | G | 76 | Confident | 67.8 | Low | 41 Ų | 41 | 100.3 Ų | 100.3 | 42% | 0.423 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64.3 | -39.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | N85 I86 V87 L93 | N85-G89 PolarHBondContact O-N 3.45Å; I86-G89 PolarHBondContact O-N 3.1Å; V87-G89 VanDerWaalsContact C-N 3.34Å; G89-L93 VanDerWaalsContact O-CB 3.26Å; G89-L93 WeakPolarHBondContact O-CB 3.34Å; G89-L93 PolarHBondContact O-N 2.88Å |
| 90 | L | 78.5 | Confident | 68.3 | Low | 103 Ų | 103 | 99.1 Ų | 99.1 | 54% | 0.539 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -72.3 | -35.8 | 176.8 | -70 | 174.5 | 0 | 0 | 0 | 112.4 | I86 V87 L93 A94 | I86-L90 HydrophobicContact CG2-CD1 3.93Å; I86-L90 HydrophobicContact CG2-CG 4.33Å; I86-L90 WeakPolarHBondContact O-CB 3.27Å; I86-L90 VanDerWaalsContact O-CG 3.24Å; I86-L90 WeakPolarHBondContact O-CG 3.18Å; I86-L90 PolarHBondContact O-N 3.45Å; V87-L90 PolarHBondContact O-N 2.94Å; L90-L93 PolarHBondContact O-N 2.76Å; L90-A94 VanDerWaalsContact O-CB 3.31Å; L90-A94 WeakPolarHBondContact O-CB 3.32Å; L90-A94 PolarHBondContact O-N 3.13Å |
| 91 | N | 74.9 | Confident | 68.6 | Low | 88 Ų | 88 | 93.1 Ų | 93.1 | 47% | 0.471 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66.1 | -46.5 | 173.7 | -75.3 | -34.8 | 0 | 0 | 0 | 111 | V87 D88 L93 A94 D95 | V87-N91 WeakPolarHBondContact O-CB 3.48Å; V87-N91 VanDerWaalsContact O-CG 3.28Å; V87-N91 PolarHBondContact O-N 3.4Å; V87-N91 PolarHBondContact O-ND2 3.47Å; V87-N91 VanDerWaalsContact O-ND2 3.17Å; D88-N91 PolarHBondContact O-N 3.13Å; N91-L93 VanDerWaalsContact C-N 3.28Å; N91-L93 PolarHBondContact O-N 3Å; N91-A94 PolarHBondContact O-N 3.35Å; N91-D95 PolarHBondContact O-N 2.89Å |
| 92 | S | 76.6 | Confident | 68.2 | Low | 58 Ų | 58 | 98.3 Ų | 98.3 | 41% | 0.406 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -60.1 | -40.7 | 174.6 | 177.5 | 0 | 0 | 0 | 0 | 111.3 | D88 D95 H96 | D88-S92 WeakPolarHBondContact O-CB 3.46Å; D88-S92 PolarHBondContact O-N 3.01Å; S92-D95 PolarHBondContact O-N 3.04Å; S92-H96 PolarHBondContact O-CD2 3.14Å; S92-H96 PolarHBondContact O-N 3Å; S92-H96 VanDerWaalsContact O-N 3.1Å |
| 93 | L | 79.8 | Confident | 67.6 | Low | 85 Ų | 85 | 99.5 Ų | 99.5 | 45% | 0.445 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -66.3 | -40.8 | 176.1 | -171.6 | 62.8 | 0 | 0 | 0 | 112 | G89 L90 N91 D95 H96 F97 | G89-L93 VanDerWaalsContact O-CB 3.26Å; G89-L93 WeakPolarHBondContact O-CB 3.34Å; G89-L93 PolarHBondContact O-N 2.88Å; L90-L93 PolarHBondContact O-N 2.76Å; N91-L93 VanDerWaalsContact C-N 3.28Å; N91-L93 PolarHBondContact O-N 3Å; L93-D95 VanDerWaalsContact C-N 3.35Å; L93-H96 PolarHBondContact O-N 3.44Å; L93-F97 HydrophobicContact CD1-CD2 3.99Å; L93-F97 HydrophobicContact CD1-CE2 3.59Å; L93-F97 HydrophobicContact CD2-CE2 4.02Å; L93-F97 HydrophobicContact CG-CD2 3.75Å; L93-F97 HydrophobicContact CG-CE2 3.57Å; L93-F97 WeakPolarHBondContact O-CD2 3.36Å; L93-F97 PolarHBondContact O-N 3.32Å |
| 94 | A | 77.9 | Confident | 67.3 | Low | 49 Ų | 49 | 96.9 Ų | 96.9 | 41% | 0.405 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64.2 | -37.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L90 N91 H96 F97 S98 | L90-A94 VanDerWaalsContact O-CB 3.31Å; L90-A94 WeakPolarHBondContact O-CB 3.32Å; L90-A94 PolarHBondContact O-N 3.13Å; N91-A94 PolarHBondContact O-N 3.35Å; A94-H96 VanDerWaalsContact C-N 3.35Å; A94-F97 PolarHBondContact O-N 2.93Å; A94-S98 PolarHBondContact O-N 3.19Å; A94-S98 PolarHBondContact O-OG 2.99Å |
| 95 | D | 71.6 | Confident | 66.3 | Low | 109 Ų | 109 | 100.9 Ų | 100.9 | 58% | 0.583 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -63.1 | -42.4 | 172.6 | -72.6 | -26.2 | 0 | 0 | 0 | 110.8 | N91 S92 L93 S98 | N91-D95 PolarHBondContact O-N 2.89Å; S92-D95 PolarHBondContact O-N 3.04Å; L93-D95 VanDerWaalsContact C-N 3.35Å; D95-S98 WeakPolarHBondContact O-CB 3.17Å; D95-S98 PolarHBondContact O-N 2.96Å |
| 96 | H | 70.9 | Confident | 65.4 | Low | 108 Ų | 108 | 101.7 Ų | 101.7 | 50% | 0.5 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -67.8 | -34.7 | 175.6 | -69.1 | -53.8 | 0 | 0 | 0 | 113.5 | S92 L93 A94 S98 D99 I100 | S92-H96 PolarHBondContact O-CD2 3.14Å; S92-H96 PolarHBondContact O-N 3Å; S92-H96 VanDerWaalsContact O-N 3.1Å; L93-H96 PolarHBondContact O-N 3.44Å; A94-H96 VanDerWaalsContact C-N 3.35Å; H96-S98 VanDerWaalsContact C-N 3.33Å; H96-D99 PolarHBondContact O-N 3.04Å; H96-I100 WeakPolarHBondContact O-CD1 3.34Å; H96-I100 WeakPolarHBondContact O-CG1 3.48Å |
| 97 | F | 69.6 | Low | 64.2 | Low | 129 Ų | 129 | 105.3 Ų | 105.3 | 57% | 0.566 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -70.8 | -29.2 | 175.5 | -88.4 | -72.2 | 0 | 0 | 0 | 113 | L93 A94 D99 I100 S101 | L93-F97 HydrophobicContact CD1-CD2 3.99Å; L93-F97 HydrophobicContact CD1-CE2 3.59Å; L93-F97 HydrophobicContact CD2-CE2 4.02Å; L93-F97 HydrophobicContact CG-CD2 3.75Å; L93-F97 HydrophobicContact CG-CE2 3.57Å; L93-F97 WeakPolarHBondContact O-CD2 3.36Å; L93-F97 PolarHBondContact O-N 3.32Å; A94-F97 PolarHBondContact O-N 2.93Å; F97-D99 PolarHBondContact O-N 2.88Å; F97-I100 PolarHBondContact O-N 3.44Å; F97-I100 VanDerWaalsContact O-N 3.13Å; F97-S101 PolarHBondContact O-N 2.83Å |
| 98 | S | 66.5 | Low | 63 | Low | 87 Ų | 87 | 110.8 Ų | 110.8 | 61% | 0.608 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -62.4 | -30.1 | 174.7 | -59.3 | 0 | 0 | 0 | 0 | 111.9 | A94 D95 H96 | A94-S98 PolarHBondContact O-N 3.19Å; A94-S98 PolarHBondContact O-OG 2.99Å; D95-S98 WeakPolarHBondContact O-CB 3.17Å; D95-S98 PolarHBondContact O-N 2.96Å; H96-S98 VanDerWaalsContact C-N 3.33Å |
| 99 | D | 59 | Low | 61.9 | Low | 140 Ų | 140 | 111.8 Ų | 111.8 | 75% | 0.749 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -82.3 | -15.7 | 176.5 | -72.9 | -26.3 | 0 | 0 | 0 | 114 | H96 F97 | H96-D99 PolarHBondContact O-N 3.04Å; F97-D99 PolarHBondContact O-N 2.88Å |
| 100 | I | 62.3 | Low | 61.1 | Low | 104 Ų | 104 | 114.5 Ų | 114.5 | 53% | 0.533 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -100.3 | -0.1 | -175.6 | -60.4 | 163.9 | 0 | 0 | 0 | 112 | H96 F97 L102 | H96-I100 WeakPolarHBondContact O-CD1 3.34Å; H96-I100 WeakPolarHBondContact O-CG1 3.48Å; F97-I100 PolarHBondContact O-N 3.44Å; F97-I100 VanDerWaalsContact O-N 3.13Å; I100-L102 VanDerWaalsContact C-N 3.28Å; I100-L102 PolarHBondContact O-N 3.31Å |
| 101 | S | 53.2 | Low | 60.8 | Low | 103 Ų | 103 | 118 Ų | 118 | 72% | 0.72 | 65% | 0.65 | S | S | * | * | trans | -69 | 84.7 | 174.7 | -157.9 | 0 | 0 | 0 | 0 | 111.2 | F97 S103 | F97-S101 PolarHBondContact O-N 2.83Å; S101-S103 VanDerWaalsContact C-N 3.33Å; S101-S103 PolarHBondContact O-N 3.03Å | ||
| 102 | L | 48.7 | Very low | 60.8 | Low | 164 Ų | 164 | 124.3 Ų | 124.3 | 86% | 0.859 | 67% | 0.668 | S | S | * | * | trans | -75.1 | 80 | 177.1 | -68 | 169.4 | 0 | 0 | 0 | 110.1 | I100 | I100-L102 VanDerWaalsContact C-N 3.28Å; I100-L102 PolarHBondContact O-N 3.31Å | ||
| 103 | S | 44.8 | Very low | 61.3 | Low | 94 Ų | 94 | 122.3 Ų | 122.3 | 66% | 0.657 | 65% | 0.653 | S | S | * | * | trans | -77.6 | 124.1 | 153.3 | 175.5 | 0 | 0 | 0 | 0 | 108.6 | S101 E105 | S101-S103 VanDerWaalsContact C-N 3.33Å; S101-S103 PolarHBondContact O-N 3.03Å; S103-E105 VanDerWaalsContact C-N 3.31Å; S103-E105 PolarHBondContact O-N 2.99Å | ||
| 104 | P | 50.9 | Low | 61.7 | Low | 122 Ų | 122 | 122 Ų | 122 | 79% | 0.792 | 66% | 0.657 | S | S | * | * | trans | -81.7 | 77.4 | 179.8 | 34 | -31.7 | 0 | 0 | 0 | 109.7 | ||||
| 105 | E | 44 | Very low | 61.8 | Low | 155 Ų | 155 | 125.5 Ų | 125.5 | 72% | 0.724 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -157.3 | 89.1 | 165.6 | -110.1 | 171.2 | -147.7 | 0 | 0 | 112.4 | S103 H107 | S103-E105 VanDerWaalsContact C-N 3.31Å; S103-E105 PolarHBondContact O-N 2.99Å; E105-H107 VanDerWaalsContact C-N 3.29Å; E105-H107 PolarHBondContact O-N 2.77Å |
| 106 | T | 48.3 | Very low | 62.6 | Low | 133 Ų | 133 | 127 Ų | 127 | 82% | 0.816 | 68% | 0.683 | S | S | * | * | trans | 25.1 | 20.5 | 145 | 55.3 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 107 | H | 47.8 | Very low | 63.6 | Low | 162 Ų | 162 | 124.3 Ų | 124.3 | 75% | 0.75 | 67% | 0.669 | S | S | * | * | trans | -122.4 | 97.5 | 179.2 | -66.4 | -78.6 | 0 | 0 | 0 | 111.7 | E105 | E105-H107 VanDerWaalsContact C-N 3.29Å; E105-H107 PolarHBondContact O-N 2.77Å | ||
| 108 | K | 49.1 | Very low | 64.8 | Low | 193 Ų | 193 | 121.6 Ų | 121.6 | 84% | 0.839 | 66% | 0.66 | S | S | * | * | trans | -40.5 | 138.7 | 162 | -70.3 | 174.4 | 177.2 | 178.5 | 0 | 109.5 | S110 | K108-S110 PolarHBondContact O-N 3.27Š| ||
| 109 | P | 49.7 | Very low | 66 | Low | 120 Ų | 120 | 117.5 Ų | 117.5 | 78% | 0.779 | 63% | 0.631 | S | S | * | * | trans | -53.1 | 121.9 | 173.9 | 21.4 | -31 | 0 | 0 | 0 | 108.1 | K111 | P109-K111 PolarHBondContact O-N 3.34Š| ||
| 110 | S | 59.6 | Low | 67.5 | Low | 99 Ų | 99 | 117.1 Ų | 117.1 | 69% | 0.692 | 62% | 0.624 | S | S | * | * | trans | -57 | 100.7 | -175.3 | 54.5 | 0 | 0 | 0 | 0 | 108.8 | K108 R112 | K108-S110 PolarHBondContact O-N 3.27Å; S110-R112 PolarHBondContact O-N 2.69Å | ||
| 111 | K | 71.7 | Confident | 68.8 | Low | 175 Ų | 175 | 116.2 Ų | 116.2 | 76% | 0.761 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -57 | 116.2 | 171 | -64 | -172.8 | 179.8 | -167.6 | 0 | 105.9 | P109 Y128 | P109-K111 PolarHBondContact O-N 3.34Å; K111-Y128 WeakPolarHBondContact O-CE2 3.33Å |
| 112 | R | 76 | Confident | 70.6 | Confident | 221 Ų | 221 | 112 Ų | 112 | 83% | 0.834 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 139.9 | 173.1 | -68.2 | -169.6 | -176.8 | -170.7 | 2.4 | 107.9 | S110 | S110-R112 PolarHBondContact O-N 2.69Š|
| 113 | P | 86.6 | Confident | 72.8 | Confident | 16 Ų | 16 | 111.5 Ų | 111.5 | 10% | 0.104 | 58% | 0.582 | C | S | . | * | P | Polyproline II helix | trans | -56.9 | 153.1 | 175.8 | -16.1 | 24.2 | 0 | 0 | 0 | 111.3 | Y117 Y128 | P113-Y117 HydrophobicContact CB-CD1 3.37Å; P113-Y117 HydrophobicContact CB-CE1 4.24Å; P113-Y117 HydrophobicContact CB-CG 3.71Å; P113-Y117 HydrophobicContact CG-CD1 3.82Å; P113-Y117 HydrophobicContact CG-CE1 4.3Å; P113-Y128 HydrophobicContact CB-CD1 4.15Å; P113-Y128 HydrophobicContact CB-CE1 3.78Å; P113-Y128 HydrophobicContact CB-CE2 4.37Å; P113-Y128 HydrophobicContact CG-CD1 3.91Å; P113-Y128 HydrophobicContact CG-CD2 3.92Å; P113-Y128 HydrophobicContact CG-CE1 3.98Å; P113-Y128 HydrophobicContact CG-CE2 4.02Å; P113-Y128 HydrophobicContact CG-CG 3.87Å |
| 114 | P | 87.6 | Confident | 75 | Confident | 80 Ų | 80 | 111.1 Ų | 111.1 | 52% | 0.519 | 57% | 0.573 | S | S | . | * | P | Polyproline II helix | trans | -51.8 | 153.2 | 171.6 | -26.4 | 34.5 | 0 | 0 | 0 | 112.3 | N116 Y117 | P114-N116 PolarHBondContact O-N 2.87Å; P114-Y117 WeakPolarHBondContact O-CB 3.45Å; P114-Y117 PolarHBondContact O-N 3.2Å |
| 115 | P | 80.6 | Confident | 76.9 | Confident | 121 Ų | 121 | 111.8 Ų | 111.8 | 79% | 0.786 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.5 | -22.6 | -174.4 | -24.3 | 32.7 | 0 | 0 | 0 | 115.2 | ||
| 116 | N | 88.8 | Confident | 79.1 | Confident | 141 Ų | 141 | 107 Ų | 107 | 75% | 0.754 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.7 | 1.3 | 178.5 | -159.7 | 29.9 | 0 | 0 | 0 | 113.8 | P114 | P114-N116 PolarHBondContact O-N 2.87Š|
| 117 | Y | 91.9 | Very high | 81.2 | Confident | 51 Ų | 51 | 102 Ų | 102 | 20% | 0.2 | 52% | 0.522 | C | S | . | . | trans | -77.4 | 126.1 | 174.2 | 178.3 | -91.4 | 0 | 0 | 0 | 110.2 | P113 P114 H120 H127 Y128 | P113-Y117 HydrophobicContact CB-CD1 3.37Å; P113-Y117 HydrophobicContact CB-CE1 4.24Å; P113-Y117 HydrophobicContact CB-CG 3.71Å; P113-Y117 HydrophobicContact CG-CD1 3.82Å; P113-Y117 HydrophobicContact CG-CE1 4.3Å; P114-Y117 WeakPolarHBondContact O-CB 3.45Å; P114-Y117 PolarHBondContact O-N 3.2Å; Y117-H120 AromaticContact CE2-CD2 3.81Å; Y117-H120 AromaticContact CE2-NE2 3.73Å; Y117-H120 AromaticContact CZ-CD2 3.84Å; Y117-H120 PolarHBondContact OH-CD2 3.46Å; Y117-H127 VanDerWaalsContact CE1-O 3.3Å; Y117-H127 WeakPolarHBondContact CE1-O 3.13Å; Y117-Y128 HydrophobicContact CD1-CD1 4.28Å; Y117-Y128 AromaticContact CE1-CD1 3.79Å; Y117-Y128 HydrophobicContact CE1-CD1 3.79Å; Y117-Y128 HydrophobicContact CE1-CE1 4.39Å; Y117-Y128 HydrophobicContact CE2-CD1 4.36Å; Y117-Y128 AromaticContact CZ-CD1 3.82Å | ||
| 118 | L | 93.4 | Very high | 83.3 | Confident | 73 Ų | 73 | 98.1 Ų | 98.1 | 38% | 0.382 | 50% | 0.502 | S | S | . | . | B | Isolated β-bridge | trans | -104.3 | 134.4 | 169.8 | -58.9 | 175.7 | 0 | 0 | 0 | 108.6 | H120 K125 | L118-H120 PolarHBondContact O-CD2 3.49Å; L118-H120 VanDerWaalsContact O-CD2 3.27Å; L118-H120 PolarHBondContact O-N 2.86Å; L118-K125 HydrophobicContact CD2-CB 4.47Å; L118-K125 HydrophobicContact CD2-CD 4.27Å; L118-K125 HydrophobicContact CD2-CG 3.35Å |
| 119 | C | 91.4 | Very high | 85.2 | Confident | 0 Ų | 0 | 92.6 Ų | 92.6 | 0% | 0 | 48% | 0.48 | C | S | . | . | trans | -58.1 | 126.6 | 172.5 | 173.5 | 0 | 0 | 0 | 0 | 109.9 | L121 F123 N124 H127 C132 | C119-L121 PolarHBondContact O-N 3.15Å; C119-L121 VanDerWaalsContact O-N 3.1Å; C119-L121 PolarHBondContact SG-N 3.33Å; C119-F123 WeakPolarHBondContact O-CA 3.19Å; C119-F123 PolarHBondContact O-N 3.25Å; C119-N124 WeakPolarHBondContact CB-O 3.43Å; C119-N124 PolarHBondContact N-O 3.24Å; C119-H127 WeakPolarHBondContact CB-NE2 3.4Å; C119-H127 PolarHBondContact SG-NE2 2.78Å; C119-C132 VanDerWaalsContact SG-SG 3.61Å | ||
| 120 | H | 91.8 | Very high | 86.8 | Confident | 132 Ų | 132 | 95.9 Ų | 95.9 | 61% | 0.611 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -5.6 | -176.1 | -69.9 | -129.2 | 0 | 0 | 0 | 113.8 | Y117 L118 I129 | Y117-H120 AromaticContact CE2-CD2 3.81Å; Y117-H120 AromaticContact CE2-NE2 3.73Å; Y117-H120 AromaticContact CZ-CD2 3.84Å; Y117-H120 PolarHBondContact OH-CD2 3.46Å; L118-H120 PolarHBondContact O-CD2 3.49Å; L118-H120 VanDerWaalsContact O-CD2 3.27Å; L118-H120 PolarHBondContact O-N 2.86Å; H120-I129 HydrophobicContact CB-CD1 4.15Å |
| 121 | L | 89.4 | Confident | 88.1 | Confident | 85 Ų | 85 | 96 Ų | 96 | 45% | 0.445 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | -47.4 | 177.1 | -177.5 | 64.6 | 0 | 0 | 0 | 112.4 | C119 I129 C132 A135 | C119-L121 PolarHBondContact O-N 3.15Å; C119-L121 VanDerWaalsContact O-N 3.1Å; C119-L121 PolarHBondContact SG-N 3.33Å; L121-I129 HydrophobicContact CB-CD1 4.09Å; L121-I129 HydrophobicContact CB-CG1 4.04Å; L121-C132 HydrophobicContact CD2-CB 4.31Å; L121-A135 VanDerWaalsContact CD2-CA 3.43Å; L121-A135 HydrophobicContact CD2-CB 3.7Å |
| 122 | C | 91.4 | Very high | 88.9 | Confident | 15 Ų | 15 | 88 Ų | 88 | 10% | 0.101 | 44% | 0.441 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.1 | -1.5 | -174.8 | 69.6 | 0 | 0 | 0 | 0 | 114.3 | N124 H127 Q134 | C122-N124 PolarHBondContact O-N 3.24Å; C122-N124 VanDerWaalsContact O-N 3.08Å; C122-N124 PolarHBondContact O-ND2 3.35Å; C122-H127 PolarHBondContact SG-CE1 3.48Å; C122-H127 PolarHBondContact SG-NE2 2.88Å; C122-Q134 HydrophobicContact CB-CB 4.27Å; C122-Q134 HydrophobicContact CB-CG 4.19Å |
| 123 | F | 93 | Very high | 89.4 | Confident | 153 Ų | 153 | 82.9 Ų | 82.9 | 67% | 0.671 | 44% | 0.437 | S | S | * | . | trans | 57.4 | 18.1 | -177.8 | -58.2 | -84.4 | 0 | 0 | 0 | 115.3 | C119 | C119-F123 WeakPolarHBondContact O-CA 3.19Å; C119-F123 PolarHBondContact O-N 3.25Å | ||
| 124 | N | 91.7 | Very high | 89.2 | Confident | 87 Ų | 87 | 88 Ų | 88 | 47% | 0.465 | 46% | 0.459 | S | S | . | . | trans | -95.3 | 151 | 175.8 | -64.8 | -53.3 | 0 | 0 | 0 | 112.4 | C119 C122 | C119-N124 WeakPolarHBondContact CB-O 3.43Å; C119-N124 PolarHBondContact N-O 3.24Å; C122-N124 PolarHBondContact O-N 3.24Å; C122-N124 VanDerWaalsContact O-N 3.08Å; C122-N124 PolarHBondContact O-ND2 3.35Å | ||
| 125 | K | 91.8 | Very high | 89 | Confident | 136 Ų | 136 | 85.7 Ų | 85.7 | 59% | 0.591 | 45% | 0.447 | S | S | * | . | B | Isolated β-bridge | trans | -75.4 | 164.1 | 174.8 | -65.1 | 179.7 | -179.1 | -171.7 | 0 | 111.5 | L118 | L118-K125 HydrophobicContact CD2-CB 4.47Å; L118-K125 HydrophobicContact CD2-CD 4.27Å; L118-K125 HydrophobicContact CD2-CG 3.35Å |
| 126 | G | 90.2 | Very high | 88.7 | Confident | 53 Ų | 53 | 91 Ų | 91 | 55% | 0.546 | 45% | 0.451 | S | S | . | . | S | Bend | trans | 97.3 | -9.7 | 163.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 127 | H | 91.6 | Very high | 87.7 | Confident | 29 Ų | 29 | 89.7 Ų | 89.7 | 13% | 0.134 | 45% | 0.451 | C | S | . | . | S | Bend | trans | -143.1 | 151.8 | 177.4 | 61.9 | -87.9 | 0 | 0 | 0 | 111.9 | Y117 C119 C122 D131 C132 | Y117-H127 VanDerWaalsContact CE1-O 3.3Å; Y117-H127 WeakPolarHBondContact CE1-O 3.13Å; C119-H127 WeakPolarHBondContact CB-NE2 3.4Å; C119-H127 PolarHBondContact SG-NE2 2.78Å; C122-H127 PolarHBondContact SG-CE1 3.48Å; C122-H127 PolarHBondContact SG-NE2 2.88Å; H127-D131 HydrophobicContact CB-CB 4.42Å; H127-C132 WeakPolarHBondContact CD2-CA 3.3Å; H127-C132 PolarHBondContact NE2-SG 3.1Å |
| 128 | Y | 91.9 | Very high | 86.4 | Confident | 81 Ų | 81 | 97.2 Ų | 97.2 | 32% | 0.318 | 49% | 0.485 | S | S | . | . | trans | -76.5 | 155.9 | 168.5 | -73.9 | -63.7 | 0 | 0 | 0 | 110.1 | K111 P113 Y117 K130 D131 C132 | K111-Y128 WeakPolarHBondContact O-CE2 3.33Å; P113-Y128 HydrophobicContact CB-CD1 4.15Å; P113-Y128 HydrophobicContact CB-CE1 3.78Å; P113-Y128 HydrophobicContact CB-CE2 4.37Å; P113-Y128 HydrophobicContact CG-CD1 3.91Å; P113-Y128 HydrophobicContact CG-CD2 3.92Å; P113-Y128 HydrophobicContact CG-CE1 3.98Å; P113-Y128 HydrophobicContact CG-CE2 4.02Å; P113-Y128 HydrophobicContact CG-CG 3.87Å; Y117-Y128 HydrophobicContact CD1-CD1 4.28Å; Y117-Y128 AromaticContact CE1-CD1 3.79Å; Y117-Y128 HydrophobicContact CE1-CD1 3.79Å; Y117-Y128 HydrophobicContact CE1-CE1 4.39Å; Y117-Y128 HydrophobicContact CE2-CD1 4.36Å; Y117-Y128 AromaticContact CZ-CD1 3.82Å; Y128-K130 PolarHBondContact O-N 3.08Å; Y128-D131 CarbonylContact O-C 3.5Å; Y128-D131 PolarHBondContact O-N 2.88Å; Y128-C132 PolarHBondContact O-N 3.42Å | ||
| 129 | I | 88.7 | Confident | 85 | Confident | 76 Ų | 76 | 95.9 Ų | 95.9 | 39% | 0.39 | 49% | 0.488 | S | S | . | . | G | 310 helix | trans | -50.5 | -28.8 | 176.7 | -173.2 | 165.9 | 0 | 0 | 0 | 114.1 | H120 L121 D131 C132 | H120-I129 HydrophobicContact CB-CD1 4.15Å; L121-I129 HydrophobicContact CB-CD1 4.09Å; L121-I129 HydrophobicContact CB-CG1 4.04Å; I129-D131 VanDerWaalsContact C-N 3.3Å; I129-D131 PolarHBondContact O-N 3.43Å; I129-C132 WeakPolarHBondContact O-CB 3.4Å; I129-C132 PolarHBondContact O-N 3.29Å |
| 130 | K | 84.2 | Confident | 84.3 | Confident | 189 Ų | 189 | 106 Ų | 106 | 82% | 0.822 | 54% | 0.535 | S | S | * | . | G | 310 helix | trans | -67.6 | -30.5 | 177.7 | -60.6 | -179.6 | -177 | 177.1 | 0 | 113 | Y128 | Y128-K130 PolarHBondContact O-N 3.08Š|
| 131 | D | 85.9 | Confident | 83.9 | Confident | 101 Ų | 101 | 100.7 Ų | 100.7 | 54% | 0.54 | 52% | 0.517 | S | S | . | . | G | 310 helix | trans | -106.5 | 17.9 | -176.2 | -43 | -51.8 | 0 | 0 | 0 | 110.5 | H127 Y128 I129 P133 | H127-D131 HydrophobicContact CB-CB 4.42Å; Y128-D131 CarbonylContact O-C 3.5Å; Y128-D131 PolarHBondContact O-N 2.88Å; I129-D131 VanDerWaalsContact C-N 3.3Å; I129-D131 PolarHBondContact O-N 3.43Å; D131-P133 WeakPolarHBondContact O-CD 3.19Å |
| 132 | C | 88.8 | Confident | 83.8 | Confident | 7 Ų | 7 | 102 Ų | 102 | 5% | 0.047 | 52% | 0.524 | C | S | . | . | trans | -70.8 | 123 | -176.6 | -175.3 | 0 | 0 | 0 | 0 | 110.1 | C119 L121 H127 Y128 I129 Q134 A135 | C119-C132 VanDerWaalsContact SG-SG 3.61Å; L121-C132 HydrophobicContact CD2-CB 4.31Å; H127-C132 WeakPolarHBondContact CD2-CA 3.3Å; H127-C132 PolarHBondContact NE2-SG 3.1Å; Y128-C132 PolarHBondContact O-N 3.42Å; I129-C132 WeakPolarHBondContact O-CB 3.4Å; I129-C132 PolarHBondContact O-N 3.29Å; C132-Q134 PolarHBondContact O-N 2.96Å; C132-A135 HydrophobicContact CB-CB 3.94Å; C132-A135 WeakPolarHBondContact O-CB 3.37Å; C132-A135 PolarHBondContact O-N 3.49Å | ||
| 133 | P | 85.8 | Confident | 83.8 | Confident | 114 Ų | 114 | 101.5 Ų | 101.5 | 74% | 0.74 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -20.7 | 178.6 | 27.2 | -35.2 | 0 | 0 | 0 | 112.6 | D131 | D131-P133 WeakPolarHBondContact O-CD 3.19Š|
| 134 | Q | 83.8 | Confident | 83.6 | Confident | 123 Ų | 123 | 98.3 Ų | 98.3 | 58% | 0.575 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -9.2 | 171.8 | -62.1 | -171.7 | -8.6 | 0 | 0 | 112.9 | C122 C132 R136 | C122-Q134 HydrophobicContact CB-CB 4.27Å; C122-Q134 HydrophobicContact CB-CG 4.19Å; C132-Q134 PolarHBondContact O-N 2.96Å; Q134-R136 PolarHBondContact O-N 3.27Å; Q134-R136 VanDerWaalsContact O-N 3.15Å |
| 135 | A | 83.3 | Confident | 83.5 | Confident | 32 Ų | 32 | 96.8 Ų | 96.8 | 26% | 0.264 | 50% | 0.503 | S | S | . | . | S | Bend | trans | -65.3 | 119.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | L121 C132 P137 | L121-A135 VanDerWaalsContact CD2-CA 3.43Å; L121-A135 HydrophobicContact CD2-CB 3.7Å; C132-A135 HydrophobicContact CB-CB 3.94Å; C132-A135 WeakPolarHBondContact O-CB 3.37Å; C132-A135 PolarHBondContact O-N 3.49Å; A135-P137 WeakPolarHBondContact O-CD 3.13Å |
| 136 | R | 73.8 | Confident | 83.5 | Confident | 232 Ų | 232 | 94.3 Ų | 94.3 | 88% | 0.875 | 49% | 0.494 | S | S | * | . | P | Polyproline II helix | trans | -58.9 | 123.8 | 163 | -67.3 | -173.8 | 179.7 | -152.8 | -0.7 | 106.4 | Q134 K138 | Q134-R136 PolarHBondContact O-N 3.27Å; Q134-R136 VanDerWaalsContact O-N 3.15Å; R136-K138 PolarHBondContact O-N 3.25Å |
| 137 | P | 67.6 | Low | 83.5 | Confident | 115 Ų | 115 | 93 Ų | 93 | 75% | 0.747 | 48% | 0.481 | S | S | * | . | P | Polyproline II helix | trans | -51.7 | 137.4 | 171.7 | 20.8 | -29.9 | 0 | 0 | 0 | 107.1 | A135 G139 | A135-P137 WeakPolarHBondContact O-CD 3.13Å; P137-G139 PolarHBondContact O-N 3.12Å |
| 138 | K | 64.8 | Low | 83.4 | Confident | 209 Ų | 209 | 100.9 Ų | 100.9 | 91% | 0.909 | 51% | 0.514 | S | S | * | . | trans | -51.2 | 115.1 | 169.1 | -66.1 | -172.6 | 179.7 | -176.7 | 0 | 104.7 | R136 | R136-K138 PolarHBondContact O-N 3.25Š| ||
| 139 | G | 64.5 | Low | 83.3 | Confident | 45 Ų | 45 | 104 Ų | 104 | 46% | 0.464 | 53% | 0.529 | S | S | . | . | trans | -50.2 | 154.3 | -169.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | P137 G141 | P137-G139 PolarHBondContact O-N 3.12Å; G139-G141 PolarHBondContact O-N 2.74Å | ||
| 140 | E | 76.1 | Confident | 83.4 | Confident | 211 Ų | 211 | 104 Ų | 104 | 99% | 0.986 | 52% | 0.524 | S | S | * | . | S | Bend | trans | -51.8 | -11.4 | -171.8 | -63.9 | 173.3 | 173.1 | 0 | 0 | 115.7 | ||
| 141 | G | 83.3 | Confident | 83.8 | Confident | 22 Ų | 22 | 95 Ų | 95 | 23% | 0.227 | 49% | 0.485 | C | S | . | . | S | Bend | trans | -86.7 | 159.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | G139 T143 Q146 N172 | G139-G141 PolarHBondContact O-N 2.74Å; G141-T143 PolarHBondContact O-N 2.88Å; G141-T143 VanDerWaalsContact O-N 3.12Å; G141-Q146 VanDerWaalsContact CA-NE2 3.31Å; G141-N172 VanDerWaalsContact C-OD1 3.27Å; G141-N172 WeakPolarHBondContact CA-OD1 3.06Å |
| 142 | L | 88.4 | Confident | 84.2 | Confident | 111 Ų | 111 | 92.6 Ų | 92.6 | 58% | 0.581 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -67.5 | -11.5 | -176.2 | -58.5 | 174.9 | 0 | 0 | 0 | 113.8 | N172 Y185 | L142-N172 PolarHBondContact N-OD1 3.32Å; L142-Y185 HydrophobicContact CB-CD1 4.1Å; L142-Y185 HydrophobicContact CB-CE1 4.04Å; L142-Y185 HydrophobicContact CB-CG 4.42Å; L142-Y185 HydrophobicContact CD1-CE1 3.88Å; L142-Y185 HydrophobicContact CD1-CE2 4.21Å; L142-Y185 WeakPolarHBondContact CD1-OH 3.47Å |
| 143 | T | 90.8 | Very high | 84.5 | Confident | 6 Ų | 6 | 92.2 Ų | 92.2 | 4% | 0.037 | 47% | 0.468 | C | S | . | . | S | Bend | trans | -129.1 | 152 | -174.4 | 65.6 | 0 | 0 | 0 | 0 | 112.4 | G141 Y145 Q146 A171 N172 Y185 P186 Q189 | G141-T143 PolarHBondContact O-N 2.88Å; G141-T143 VanDerWaalsContact O-N 3.12Å; T143-Y145 VanDerWaalsContact C-N 3.29Å; T143-Y145 PolarHBondContact O-N 2.92Å; T143-Y145 PolarHBondContact OG1-O 2.9Å; T143-Q146 PolarHBondContact O-NE2 3.32Å; T143-A171 WeakPolarHBondContact OG1-CA 3.32Å; T143-N172 PolarHBondContact OG1-N 2.99Å; T143-Y185 HydrophobicContact CG2-CD1 3.74Å; T143-Y185 HydrophobicContact CG2-CG 4.39Å; T143-P186 HydrophobicContact CG2-CG 3.94Å; T143-Q189 PolarHBondContact OG1-OE1 2.9Å |
| 144 | P | 89.3 | Confident | 85 | Confident | 86 Ų | 86 | 88.4 Ų | 88.4 | 56% | 0.558 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -59.8 | -35.5 | -180 | -25.5 | 34.2 | 0 | 0 | 0 | 114.6 | P186 | P144-P186 VanDerWaalsContact CD-O 3.25Å; P144-P186 WeakPolarHBondContact CD-O 3.28Å |
| 145 | Y | 90.1 | Very high | 85.6 | Confident | 55 Ų | 55 | 82.7 Ų | 82.7 | 22% | 0.216 | 41% | 0.413 | C | S | . | . | trans | -89.6 | 133.2 | 176.1 | 177.5 | -103.2 | 0 | 0 | 0 | 110.3 | T143 G147 K149 C151 A171 | T143-Y145 VanDerWaalsContact C-N 3.29Å; T143-Y145 PolarHBondContact O-N 2.92Å; T143-Y145 PolarHBondContact OG1-O 2.9Å; Y145-G147 VanDerWaalsContact CE1-C 3.41Å; Y145-G147 VanDerWaalsContact CE1-CA 3.46Å; Y145-G147 WeakPolarHBondContact CE1-O 3.45Å; Y145-G147 WeakPolarHBondContact OH-CA 3.43Å; Y145-K149 WeakPolarHBondContact CE1-O 3.25Å; Y145-K149 PolarHBondContact OH-N 3.44Å; Y145-K149 PolarHBondContact OH-O 2.84Å; Y145-C151 HydrophobicContact CD1-CB 4.38Å; Y145-C151 HydrophobicContact CE1-CB 4.42Å; Y145-A171 HydrophobicContact CD1-CB 4.22Å; Y145-A171 WeakPolarHBondContact O-CA 3.21Å; Y145-A171 VanDerWaalsContact O-CB 3.28Å; Y145-A171 WeakPolarHBondContact O-CB 3.45Å | ||
| 146 | Q | 91.7 | Very high | 86.3 | Confident | 84 Ų | 84 | 86.1 Ų | 86.1 | 39% | 0.393 | 42% | 0.422 | S | S | . | . | trans | -122 | 15.6 | -178.7 | -66 | -58.4 | -42.2 | 0 | 0 | 112.7 | G141 T143 N172 | G141-Q146 VanDerWaalsContact CA-NE2 3.31Å; T143-Q146 PolarHBondContact O-NE2 3.32Å; Q146-N172 PolarHBondContact NE2-OD1 3.18Å; Q146-N172 PolarHBondContact OE1-ND2 3.13Å; Q146-N172 PolarHBondContact OE1-OD1 3.49Å | ||
| 147 | G | 88.6 | Confident | 87.5 | Confident | 26 Ų | 26 | 75 Ų | 75 | 27% | 0.268 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -86 | 173 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y145 A171 | Y145-G147 VanDerWaalsContact CE1-C 3.41Å; Y145-G147 VanDerWaalsContact CE1-CA 3.46Å; Y145-G147 WeakPolarHBondContact CE1-O 3.45Å; Y145-G147 WeakPolarHBondContact OH-CA 3.43Å; G147-A171 WeakPolarHBondContact O-CB 3.49Å |
| 148 | K | 89.4 | Confident | 88.9 | Confident | 194 Ų | 194 | 73.3 Ų | 73.3 | 84% | 0.843 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -85.5 | -24 | -177.5 | -62.6 | -178.6 | -178.1 | -179.6 | 0 | 113.8 | W170 | K148-W170 WeakPolarHBondContact O-CZ3 3.32Š|
| 149 | K | 90.8 | Very high | 90.4 | Very high | 145 Ų | 145 | 70.1 Ų | 70.1 | 63% | 0.63 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -81.9 | 155.9 | -174.3 | -68.4 | -176.2 | 177.3 | 178.2 | 0 | 111.3 | Y145 | Y145-K149 WeakPolarHBondContact CE1-O 3.25Å; Y145-K149 PolarHBondContact OH-N 3.44Å; Y145-K149 PolarHBondContact OH-O 2.84Å |
| 150 | R | 91.8 | Very high | 92 | Very high | 76 Ų | 76 | 69.8 Ų | 69.8 | 29% | 0.287 | 35% | 0.345 | S | S | . | . | trans | -61.9 | 143.4 | 168 | -174 | 169.2 | 60.9 | 98.8 | -6.3 | 111.1 | G167 N168 W170 L192 | R150-G167 WeakPolarHBondContact CD-O 3.31Å; R150-G167 WeakPolarHBondContact CG-O 3.4Å; R150-G167 PolarHBondContact NH1-O 2.88Å; R150-N168 WeakPolarHBondContact CD-OD1 3.49Å; R150-W170 HydrophobicContact CB-CH2 4Å; R150-W170 HydrophobicContact CB-CZ2 3.81Å; R150-W170 HydrophobicContact CB-CZ3 4.48Å; R150-W170 HydrophobicContact CG-CZ2 4.27Å; R150-L192 HydrophobicContact CB-CD1 4.45Å; R150-L192 HydrophobicContact CG-CD1 4.04Å | ||
| 151 | C | 92.3 | Very high | 93 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 169.4 | 178.8 | 70 | 0 | 0 | 0 | 0 | 111.5 | Y145 G167 S169 R190 | Y145-C151 HydrophobicContact CD1-CB 4.38Å; Y145-C151 HydrophobicContact CE1-CB 4.42Å; C151-G167 CarbonylContact O-C 3.54Å; C151-S169 PolarHBondContact N-O 2.9Å; C151-S169 VanDerWaalsContact O-CB 3.27Å; C151-S169 WeakPolarHBondContact O-CB 3.23Å; C151-S169 PolarHBondContact O-N 3.03Å; C151-S169 VanDerWaalsContact O-N 3.13Å; C151-R190 VanDerWaalsContact CB-O 3.32Å; C151-R190 WeakPolarHBondContact CB-O 3.49Å |
| 152 | F | 93.2 | Very high | 93.7 | Very high | 51 Ų | 51 | 71.5 Ų | 71.5 | 22% | 0.224 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 124.8 | 170.8 | -170.1 | -96.2 | 0 | 0 | 0 | 109.6 | E154 M165 Q189 R190 L192 | F152-E154 HydrophobicContact CD1-CG 4.43Å; F152-E154 HydrophobicContact CE1-CG 4.03Å; F152-M165 HydrophobicContact CE1-CB 3.9Å; F152-M165 HydrophobicContact CE1-CG 4.06Å; F152-M165 HydrophobicContact CE1-SD 3.68Å; F152-M165 HydrophobicContact CE2-CB 4.08Å; F152-M165 HydrophobicContact CZ-CB 3.39Å; F152-M165 HydrophobicContact CZ-CE 4.03Å; F152-M165 HydrophobicContact CZ-CG 3.87Å; F152-M165 HydrophobicContact CZ-SD 3.48Å; F152-M165 WeakPolarHBondContact CZ-SD 3.11Å; F152-Q189 CarbonylContact O-C 3.48Å; F152-Q189 VanDerWaalsContact O-CA 3.22Å; F152-Q189 WeakPolarHBondContact O-CA 3.27Å; F152-R190 PolarHBondContact N-O 2.7Å; F152-R190 PolarHBondContact O-N 2.89Å; F152-L192 HydrophobicContact CB-CD2 4.05Å |
| 153 | G | 94.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 73.3 Ų | 73.3 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 138.3 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y155 M165 S166 K188 | G153-Y155 WeakPolarHBondContact O-CD2 3.12Å; G153-Y155 WeakPolarHBondContact O-CE2 3.32Å; G153-M165 WeakPolarHBondContact O-CA 3.16Å; G153-S166 PolarHBondContact N-O 2.89Å; G153-S166 PolarHBondContact O-N 2.83Å; G153-K188 WeakPolarHBondContact CA-O 3.35Å |
| 154 | E | 96.2 | Very high | 94.4 | Very high | 34 Ų | 34 | 75.1 Ų | 75.1 | 16% | 0.159 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 130.5 | 170.5 | -62.7 | 174.6 | -146.3 | 0 | 0 | 109.7 | F152 M165 P186 H187 K188 R190 | F152-E154 HydrophobicContact CD1-CG 4.43Å; F152-E154 HydrophobicContact CE1-CG 4.03Å; E154-M165 HydrophobicContact CG-CG 4.23Å; E154-M165 HydrophobicContact CG-SD 4.47Å; E154-P186 CarbonylContact O-C 3.48Å; E154-P186 VanDerWaalsContact O-CA 3.24Å; E154-P186 WeakPolarHBondContact O-CA 3.1Å; E154-H187 PolarHBondContact O-CE1 3.31Å; E154-H187 PolarHBondContact O-N 3.13Å; E154-H187 PolarHBondContact O-ND1 3.02Å; E154-K188 HydrophobicContact CB-CB 4.23Å; E154-K188 PolarHBondContact N-O 3.33Å; E154-R190 IonicContact OE1-CZ 3.56Å; E154-R190 IonicContact OE1-NE 2.74Å; E154-R190 PolarHBondContact OE1-NE 2.85Å; E154-R190 IonicContact OE1-NH2 3.44Å; E154-R190 PolarHBondContact OE1-NH2 2.82Å |
| 155 | Y | 97.3 | Very high | 94.6 | Very high | 3 Ų | 3 | 77.1 Ų | 77.1 | 1% | 0.012 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 148.1 | -173.1 | -60.3 | -99.4 | 0 | 0 | 0 | 110.4 | G153 K163 W164 S169 Q175 V184 P186 | G153-Y155 WeakPolarHBondContact O-CD2 3.12Å; G153-Y155 WeakPolarHBondContact O-CE2 3.32Å; Y155-K163 VanDerWaalsContact O-CA 3.26Å; Y155-K163 WeakPolarHBondContact O-CA 3.24Å; Y155-W164 VanDerWaalsContact CB-CZ2 3.43Å; Y155-W164 HydrophobicContact CD1-CZ2 4.04Å; Y155-W164 AromaticContact CD2-CD1 3.82Å; Y155-W164 AromaticContact CD2-NE1 3.55Å; Y155-W164 HydrophobicContact CG-CD2 4.33Å; Y155-W164 AromaticContact CG-CE2 3.62Å; Y155-W164 AromaticContact CG-CZ2 3.88Å; Y155-W164 HydrophobicContact CG-CZ2 3.88Å; Y155-W164 AromaticContact CG-NE1 3.46Å; Y155-W164 PolarHBondContact N-O 3.28Å; Y155-W164 PolarHBondContact O-N 2.69Å; Y155-S169 WeakPolarHBondContact OH-CB 3.39Å; Y155-S169 PolarHBondContact OH-OG 3.48Å; Y155-Q175 HydrophobicContact CD1-CB 4.34Å; Y155-Q175 HydrophobicContact CE1-CB 3.93Å; Y155-Q175 HydrophobicContact CE1-CG 3.95Å; Y155-Q175 HydrophobicContact CE2-CG 4.49Å; Y155-Q175 PolarHBondContact OH-NE2 2.78Å; Y155-V184 HydrophobicContact CD1-CG1 4.44Å; Y155-V184 VanDerWaalsContact CD1-O 3.25Å; Y155-V184 WeakPolarHBondContact CD1-O 3.3Å; Y155-V184 WeakPolarHBondContact CE1-O 3.43Å; Y155-P186 HydrophobicContact CD1-CB 4.09Å; Y155-P186 HydrophobicContact CE1-CB 3.76Å; Y155-P186 HydrophobicContact CE1-CG 4.07Å; Y155-P186 HydrophobicContact CE2-CB 4.26Å; Y155-P186 HydrophobicContact CG-CB 4.48Å |
| 156 | K | 98.1 | Very high | 94.7 | Very high | 103 Ų | 103 | 75.1 Ų | 75.1 | 45% | 0.448 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 113.7 | 173.3 | -178.2 | -177.3 | 179.1 | -173.7 | 0 | 108.6 | R162 K163 V184 | K156-R162 WeakPolarHBondContact CA-O 3.5Å; K156-K163 HydrophobicContact CB-CG 4.32Å; K156-K163 HydrophobicContact CG-CG 4.13Å; K156-V184 WeakPolarHBondContact O-CG1 3.15Å |
| 157 | C | 98.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 34% | 0.336 | C | S | . | . | trans | -64.6 | 127.1 | 179.4 | 178.9 | 0 | 0 | 0 | 0 | 110.4 | K159 C160 K161 R162 W164 C177 V184 | C157-K159 VanDerWaalsContact C-N 3.29Å; C157-K159 PolarHBondContact O-N 3.05Å; C157-K159 PolarHBondContact SG-N 2.88Å; C157-C160 VanDerWaalsContact CB-SG 3.59Å; C157-C160 PolarHBondContact SG-N 2.91Å; C157-C160 VanDerWaalsContact SG-N 3.43Å; C157-K161 WeakPolarHBondContact O-CA 3.44Å; C157-K161 PolarHBondContact O-N 2.77Å; C157-R162 PolarHBondContact N-O 3.3Å; C157-W164 HydrophobicContact CB-CH2 4.1Å; C157-W164 HydrophobicContact CB-CZ3 3.76Å; C157-C177 HydrophobicContact CB-CB 4.15Å; C157-C177 VanDerWaalsContact SG-SG 3.63Å; C157-V184 HydrophobicContact CB-CG2 4.44Å | ||
| 158 | P | 97.3 | Very high | 94.9 | Very high | 79 Ų | 79 | 71 Ų | 71 | 51% | 0.513 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -29.1 | 178.7 | 27 | -34 | 0 | 0 | 0 | 112.3 | K161 I182 | P158-K161 WeakPolarHBondContact O-CE 3.22Å; P158-K161 PolarHBondContact O-NZ 3.15Å; P158-I182 HydrophobicContact CG-CD1 3.65Å |
| 159 | K | 97.8 | Very high | 95.1 | Very high | 142 Ų | 142 | 61.7 Ų | 61.7 | 62% | 0.617 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -68.6 | 178.4 | -70.1 | -175.9 | 179.8 | -176.7 | 0 | 112 | C157 C180 I182 | C157-K159 VanDerWaalsContact C-N 3.29Å; C157-K159 PolarHBondContact O-N 3.05Å; C157-K159 PolarHBondContact SG-N 2.88Å; K159-C180 HydrophobicContact CB-CB 4.3Å; K159-C180 HydrophobicContact CD-CB 4.27Å; K159-I182 HydrophobicContact CB-CD1 4.22Å; K159-I182 HydrophobicContact CD-CD1 3.8Å; K159-I182 HydrophobicContact CD-CG1 4.41Å; K159-I182 HydrophobicContact CD-CG2 4Å; K159-I182 HydrophobicContact CG-CD1 3.74Å |
| 160 | C | 97.9 | Very high | 95.3 | Very high | 37 Ų | 37 | 55.4 Ų | 55.4 | 25% | 0.25 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 1.5 | -173.9 | 68.7 | 0 | 0 | 0 | 0 | 115.4 | C157 R162 K179 C180 | C157-C160 VanDerWaalsContact CB-SG 3.59Å; C157-C160 PolarHBondContact SG-N 2.91Å; C157-C160 VanDerWaalsContact SG-N 3.43Å; C160-R162 PolarHBondContact O-N 3.34Å; C160-K179 HydrophobicContact CB-CD 4Å; C160-C180 WeakPolarHBondContact CB-SG 3.48Å |
| 161 | K | 97.3 | Very high | 95.4 | Very high | 132 Ų | 132 | 52.8 Ų | 52.8 | 57% | 0.574 | 25% | 0.251 | S | S | * | . | trans | 59.9 | 2.5 | -179.9 | -47.4 | -53.9 | -175.7 | -168.3 | 0 | 116.1 | C157 P158 K163 | C157-K161 WeakPolarHBondContact O-CA 3.44Å; C157-K161 PolarHBondContact O-N 2.77Å; P158-K161 WeakPolarHBondContact O-CE 3.22Å; P158-K161 PolarHBondContact O-NZ 3.15Å; K161-K163 PolarHBondContact O-N 3.39Å | ||
| 162 | R | 97.1 | Very high | 95.5 | Very high | 137 Ų | 137 | 55.4 Ų | 55.4 | 52% | 0.517 | 27% | 0.265 | S | S | . | . | trans | -54.4 | 137.3 | 172.8 | -176.4 | 174.5 | 170.1 | 78.3 | 0 | 109.8 | K156 C157 C160 W164 | K156-R162 WeakPolarHBondContact CA-O 3.5Å; C157-R162 PolarHBondContact N-O 3.3Å; C160-R162 PolarHBondContact O-N 3.34Å; R162-W164 HydrophobicContact CG-CE3 4.35Å; R162-W164 WeakPolarHBondContact O-CZ3 3.2Å | ||
| 163 | K | 97.9 | Very high | 95.6 | Very high | 149 Ų | 149 | 54.9 Ų | 54.9 | 65% | 0.648 | 26% | 0.264 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 144.2 | 173.3 | -59.9 | 177.4 | -173.7 | 174 | 0 | 109.4 | Y155 K156 K161 | Y155-K163 VanDerWaalsContact O-CA 3.26Å; Y155-K163 WeakPolarHBondContact O-CA 3.24Å; K156-K163 HydrophobicContact CB-CG 4.32Å; K156-K163 HydrophobicContact CG-CG 4.13Å; K161-K163 PolarHBondContact O-N 3.39Å |
| 164 | W | 96.2 | Very high | 95.6 | Very high | 45 Ų | 45 | 55 Ų | 55 | 17% | 0.17 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 165 | 172.4 | 66.2 | 99.9 | 0 | 0 | 0 | 109.6 | Y155 C157 R162 C177 V184 | Y155-W164 VanDerWaalsContact CB-CZ2 3.43Å; Y155-W164 HydrophobicContact CD1-CZ2 4.04Å; Y155-W164 AromaticContact CD2-CD1 3.82Å; Y155-W164 AromaticContact CD2-NE1 3.55Å; Y155-W164 HydrophobicContact CG-CD2 4.33Å; Y155-W164 AromaticContact CG-CE2 3.62Å; Y155-W164 AromaticContact CG-CZ2 3.88Å; Y155-W164 HydrophobicContact CG-CZ2 3.88Å; Y155-W164 AromaticContact CG-NE1 3.46Å; Y155-W164 PolarHBondContact N-O 3.28Å; Y155-W164 PolarHBondContact O-N 2.69Å; C157-W164 HydrophobicContact CB-CH2 4.1Å; C157-W164 HydrophobicContact CB-CZ3 3.76Å; R162-W164 HydrophobicContact CG-CE3 4.35Å; R162-W164 WeakPolarHBondContact O-CZ3 3.2Å; W164-C177 HydrophobicContact CH2-CB 3.89Å; W164-C177 HydrophobicContact CZ3-CB 4.38Å; W164-V184 HydrophobicContact CH2-CB 3.76Å; W164-V184 HydrophobicContact CH2-CG1 3.87Å; W164-V184 HydrophobicContact CH2-CG2 3.88Å; W164-V184 HydrophobicContact CZ2-CB 3.99Å; W164-V184 HydrophobicContact CZ2-CG1 4.27Å; W164-V184 HydrophobicContact CZ2-CG2 4.48Å |
| 165 | M | 93.6 | Very high | 95.7 | Very high | 127 Ų | 127 | 53.9 Ų | 53.9 | 63% | 0.626 | 26% | 0.26 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 150.4 | 178.2 | -56.8 | -174.1 | -62.1 | 0 | 0 | 109.3 | F152 G153 E154 | F152-M165 HydrophobicContact CE1-CB 3.9Å; F152-M165 HydrophobicContact CE1-CG 4.06Å; F152-M165 HydrophobicContact CE1-SD 3.68Å; F152-M165 HydrophobicContact CE2-CB 4.08Å; F152-M165 HydrophobicContact CZ-CB 3.39Å; F152-M165 HydrophobicContact CZ-CE 4.03Å; F152-M165 HydrophobicContact CZ-CG 3.87Å; F152-M165 HydrophobicContact CZ-SD 3.48Å; F152-M165 WeakPolarHBondContact CZ-SD 3.11Å; G153-M165 WeakPolarHBondContact O-CA 3.16Å; E154-M165 HydrophobicContact CG-CG 4.23Å; E154-M165 HydrophobicContact CG-SD 4.47Å |
| 166 | S | 91.8 | Very high | 95.7 | Very high | 14 Ų | 14 | 55.4 Ų | 55.4 | 10% | 0.098 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 129.7 | 176.6 | -170.6 | 0 | 0 | 0 | 0 | 110.8 | G153 N168 Q175 | G153-S166 PolarHBondContact N-O 2.89Å; G153-S166 PolarHBondContact O-N 2.83Å; S166-N168 PolarHBondContact O-N 3.46Å; S166-N168 PolarHBondContact OG-N 3.05Å; S166-N168 VanDerWaalsContact OG-N 3.12Å; S166-Q175 PolarHBondContact OG-NE2 2.88Å |
| 167 | G | 91.6 | Very high | 95.7 | Very high | 16 Ų | 16 | 50.5 Ų | 50.5 | 17% | 0.165 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | -2 | 166 | 0 | 0 | 0 | 0 | 0 | 113.3 | R150 C151 | R150-G167 WeakPolarHBondContact CD-O 3.31Å; R150-G167 WeakPolarHBondContact CG-O 3.4Å; R150-G167 PolarHBondContact NH1-O 2.88Å; C151-G167 CarbonylContact O-C 3.54Å |
| 168 | N | 92.4 | Very high | 95.6 | Very high | 6 Ų | 6 | 55.4 Ų | 55.4 | 3% | 0.032 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 50.7 | 179.9 | -56.1 | -69.4 | 0 | 0 | 0 | 111.2 | R150 S166 Q175 H207 R223 | R150-N168 WeakPolarHBondContact CD-OD1 3.49Å; S166-N168 PolarHBondContact O-N 3.46Å; S166-N168 PolarHBondContact OG-N 3.05Å; S166-N168 VanDerWaalsContact OG-N 3.12Å; N168-Q175 PolarHBondContact O-NE2 2.88Å; N168-H207 VanDerWaalsContact ND2-CB 3.28Å; N168-H207 WeakPolarHBondContact ND2-CB 3.4Å; N168-H207 PolarHBondContact ND2-ND1 3.07Å; N168-R223 PolarHBondContact ND2-NH2 3.33Å; N168-R223 VanDerWaalsContact OD1-CG 3.22Å; N168-R223 WeakPolarHBondContact OD1-CG 3.07Å; N168-R223 PolarHBondContact OD1-NE 3.33Å |
| 169 | S | 94.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 141.5 | 174.2 | -164.4 | 0 | 0 | 0 | 0 | 110.4 | C151 Y155 Q189 | C151-S169 PolarHBondContact N-O 2.9Å; C151-S169 VanDerWaalsContact O-CB 3.27Å; C151-S169 WeakPolarHBondContact O-CB 3.23Å; C151-S169 PolarHBondContact O-N 3.03Å; C151-S169 VanDerWaalsContact O-N 3.13Å; Y155-S169 WeakPolarHBondContact OH-CB 3.39Å; Y155-S169 PolarHBondContact OH-OG 3.48Å; S169-Q189 PolarHBondContact OG-NE2 3.35Å |
| 170 | W | 94.8 | Very high | 95.6 | Very high | 13 Ų | 13 | 53.9 Ų | 53.9 | 5% | 0.049 | 26% | 0.26 | C | S | . | . | trans | -130.8 | 157.9 | -178.9 | -65.5 | 89 | 0 | 0 | 0 | 109.4 | K148 R150 N172 M173 Q189 K214 C222 V225 | K148-W170 WeakPolarHBondContact O-CZ3 3.32Å; R150-W170 HydrophobicContact CB-CH2 4Å; R150-W170 HydrophobicContact CB-CZ2 3.81Å; R150-W170 HydrophobicContact CB-CZ3 4.48Å; R150-W170 HydrophobicContact CG-CZ2 4.27Å; W170-N172 PolarHBondContact O-N 3.39Å; W170-M173 HydrophobicContact CB-CB 4.08Å; W170-M173 HydrophobicContact CB-CG 4.18Å; W170-Q189 PolarHBondContact O-NE2 3.18Å; W170-K214 HydrophobicContact CD2-CG 4.25Å; W170-K214 HydrophobicContact CG-CB 4.24Å; W170-K214 HydrophobicContact CG-CD 4.38Å; W170-K214 HydrophobicContact CG-CG 3.98Å; W170-C222 HydrophobicContact CZ2-CB 4.5Å; W170-C222 VanDerWaalsContact CZ2-O 3.3Å; W170-C222 WeakPolarHBondContact CZ2-O 3.48Å; W170-C222 PolarHBondContact NE1-SG 3.48Å; W170-V225 HydrophobicContact CH2-CB 3.85Å; W170-V225 HydrophobicContact CH2-CG1 3.95Å; W170-V225 VanDerWaalsContact CH2-O 3.28Å; W170-V225 WeakPolarHBondContact CH2-O 3.35Å; W170-V225 HydrophobicContact CZ2-CB 4.29Å; W170-V225 HydrophobicContact CZ3-CG1 4.18Å | ||
| 171 | A | 93.7 | Very high | 95.5 | Very high | 20 Ų | 20 | 58 Ų | 58 | 17% | 0.165 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | 135.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | T143 Y145 G147 M173 | T143-A171 WeakPolarHBondContact OG1-CA 3.32Å; Y145-A171 HydrophobicContact CD1-CB 4.22Å; Y145-A171 WeakPolarHBondContact O-CA 3.21Å; Y145-A171 VanDerWaalsContact O-CB 3.28Å; Y145-A171 WeakPolarHBondContact O-CB 3.45Å; G147-A171 WeakPolarHBondContact O-CB 3.49Å; A171-M173 WeakPolarHBondContact O-CG 3.25Å; A171-M173 PolarHBondContact O-N 3.2Å; A171-M173 VanDerWaalsContact O-N 3.15Å |
| 172 | N | 93.8 | Very high | 95.5 | Very high | 55 Ų | 55 | 53.4 Ų | 53.4 | 29% | 0.294 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.5 | 22.3 | 173.5 | -52.9 | -39.8 | 0 | 0 | 0 | 114.9 | G141 L142 T143 Q146 W170 | G141-N172 VanDerWaalsContact C-OD1 3.27Å; G141-N172 WeakPolarHBondContact CA-OD1 3.06Å; L142-N172 PolarHBondContact N-OD1 3.32Å; T143-N172 PolarHBondContact OG1-N 2.99Å; Q146-N172 PolarHBondContact NE2-OD1 3.18Å; Q146-N172 PolarHBondContact OE1-ND2 3.13Å; Q146-N172 PolarHBondContact OE1-OD1 3.49Å; W170-N172 PolarHBondContact O-N 3.39Å |
| 173 | M | 95.1 | Very high | 95.6 | Very high | 40 Ų | 40 | 49.8 Ų | 49.8 | 20% | 0.197 | 25% | 0.247 | C | C | . | . | trans | -131.5 | 140.1 | 179.4 | -60.1 | -76.8 | 166 | 0 | 0 | 110.1 | W170 A171 E213 K214 V217 | W170-M173 HydrophobicContact CB-CB 4.08Å; W170-M173 HydrophobicContact CB-CG 4.18Å; A171-M173 WeakPolarHBondContact O-CG 3.25Å; A171-M173 PolarHBondContact O-N 3.2Å; A171-M173 VanDerWaalsContact O-N 3.15Å; M173-E213 WeakPolarHBondContact CA-OE2 3.5Å; M173-E213 HydrophobicContact SD-CB 4.46Å; M173-E213 HydrophobicContact SD-CG 3.92Å; M173-K214 HydrophobicContact CB-CB 4.45Å; M173-K214 HydrophobicContact CE-CD 4.5Å; M173-K214 HydrophobicContact CG-CB 4.31Å; M173-K214 HydrophobicContact CG-CD 4.2Å; M173-K214 HydrophobicContact SD-CD 4.45Å; M173-V217 HydrophobicContact SD-CG2 4.47Å | ||
| 174 | G | 96.2 | Very high | 95.6 | Very high | 2 Ų | 2 | 43 Ų | 43 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | trans | -105.3 | -179.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | N183 V184 E213 | G174-N183 VanDerWaalsContact C-OD1 3.29Å; G174-N183 WeakPolarHBondContact CA-OD1 3.28Å; G174-V184 VanDerWaalsContact CA-O 3.25Å; G174-V184 WeakPolarHBondContact CA-O 3.36Å; G174-E213 PolarHBondContact N-OE2 3.25Å; G174-E213 VanDerWaalsContact O-CB 3.23Å; G174-E213 WeakPolarHBondContact O-CB 3.5Å; G174-E213 PolarHBondContact O-N 3.35Å | ||
| 175 | Q | 97.4 | Very high | 95.6 | Very high | 12 Ų | 12 | 44.9 Ų | 44.9 | 6% | 0.056 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 139.8 | 168.3 | -67.3 | -175.1 | 11 | 0 | 0 | 109.6 | Y155 S166 N168 C177 N183 V184 L211 | Y155-Q175 HydrophobicContact CD1-CB 4.34Å; Y155-Q175 HydrophobicContact CE1-CB 3.93Å; Y155-Q175 HydrophobicContact CE1-CG 3.95Å; Y155-Q175 HydrophobicContact CE2-CG 4.49Å; Y155-Q175 PolarHBondContact OH-NE2 2.78Å; S166-Q175 PolarHBondContact OG-NE2 2.88Å; N168-Q175 PolarHBondContact O-NE2 2.88Å; Q175-C177 PolarHBondContact O-N 2.74Å; Q175-N183 PolarHBondContact N-OD1 3Å; Q175-V184 PolarHBondContact N-O 2.93Å; Q175-V184 WeakPolarHBondContact O-CB 3.25Å; Q175-V184 PolarHBondContact O-N 3.15Å; Q175-L211 CarbonylContact C-O 3.52Å; Q175-L211 VanDerWaalsContact CA-O 3.26Å; Q175-L211 WeakPolarHBondContact CA-O 3.26Å |
| 176 | E | 97.9 | Very high | 95.7 | Very high | 34 Ų | 34 | 39 Ų | 39 | 16% | 0.159 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 129.8 | 177.7 | -168.3 | -179 | 113.6 | 0 | 0 | 110.4 | I178 H181 I182 L211 K216 | E176-I178 PolarHBondContact O-N 2.91Å; E176-H181 HydrophobicContact CG-CB 4.44Å; E176-H181 IonicContact OE1-CE1 3.88Å; E176-H181 IonicContact OE1-CG 3.53Å; E176-H181 IonicContact OE1-ND1 2.65Å; E176-H181 PolarHBondContact OE1-ND1 2.77Å; E176-I182 VanDerWaalsContact CA-O 3.32Å; E176-I182 WeakPolarHBondContact CA-O 3.13Å; E176-L211 HydrophobicContact CB-CB 4.15Å; E176-L211 HydrophobicContact CB-CD2 3.94Å; E176-L211 HydrophobicContact CG-CD2 4.24Å; E176-L211 PolarHBondContact N-O 3.39Å; E176-K216 IonicContact OE2-NZ 3.44Å; E176-K216 PolarHBondContact OE2-NZ 2.73Å |
| 177 | C | 97.9 | Very high | 95.9 | Very high | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.007 | 21% | 0.213 | C | C | . | . | trans | -69.6 | 118.3 | 173.5 | -178.6 | 0 | 0 | 0 | 0 | 110.1 | C157 W164 Q175 K179 C180 H181 I182 V184 | C157-C177 HydrophobicContact CB-CB 4.15Å; C157-C177 VanDerWaalsContact SG-SG 3.63Å; W164-C177 HydrophobicContact CH2-CB 3.89Å; W164-C177 HydrophobicContact CZ3-CB 4.38Å; Q175-C177 PolarHBondContact O-N 2.74Å; C177-K179 PolarHBondContact O-N 3.43Å; C177-C180 HydrophobicContact CB-CB 4.21Å; C177-C180 PolarHBondContact O-N 3.45Å; C177-H181 WeakPolarHBondContact O-CA 3.45Å; C177-H181 PolarHBondContact O-N 3.44Å; C177-I182 HydrophobicContact CB-CG1 4.38Å; C177-I182 PolarHBondContact N-O 2.87Å; C177-V184 HydrophobicContact CB-CG2 4.21Å | ||
| 178 | I | 96.2 | Very high | 96 | Very high | 102 Ų | 102 | 47.4 Ų | 47.4 | 52% | 0.523 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -25.4 | 179.3 | -165.6 | 168.4 | 0 | 0 | 0 | 115.3 | E176 L211 | E176-I178 PolarHBondContact O-N 2.91Å; I178-L211 HydrophobicContact CB-CD1 4.04Å; I178-L211 HydrophobicContact CD1-CD1 4.5Å; I178-L211 HydrophobicContact CG1-CD1 4.31Å |
| 179 | K | 96.9 | Very high | 96 | Very high | 158 Ų | 158 | 48.2 Ų | 48.2 | 69% | 0.687 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | -33.6 | 179.5 | -176.6 | 172.9 | -178.8 | 178.9 | 0 | 113.2 | C160 C177 | C160-K179 HydrophobicContact CB-CD 4Å; C177-K179 PolarHBondContact O-N 3.43Å |
| 180 | C | 97.7 | Very high | 95.9 | Very high | 32 Ų | 32 | 54.5 Ų | 54.5 | 22% | 0.216 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.2 | -10.2 | -169.1 | -66.1 | 0 | 0 | 0 | 0 | 113.4 | K159 C160 C177 I182 | K159-C180 HydrophobicContact CB-CB 4.3Å; K159-C180 HydrophobicContact CD-CB 4.27Å; C160-C180 WeakPolarHBondContact CB-SG 3.48Å; C177-C180 HydrophobicContact CB-CB 4.21Å; C177-C180 PolarHBondContact O-N 3.45Å; C180-I182 HydrophobicContact CB-CG1 3.91Å; C180-I182 PolarHBondContact O-N 2.92Å |
| 181 | H | 96.7 | Very high | 95.6 | Very high | 123 Ų | 123 | 58.2 Ų | 58.2 | 57% | 0.569 | 28% | 0.282 | S | S | * | . | trans | 50.9 | 30 | -176.6 | -60.1 | -67.5 | 0 | 0 | 0 | 114.2 | E176 C177 | E176-H181 HydrophobicContact CG-CB 4.44Å; E176-H181 IonicContact OE1-CE1 3.88Å; E176-H181 IonicContact OE1-CG 3.53Å; E176-H181 IonicContact OE1-ND1 2.65Å; E176-H181 PolarHBondContact OE1-ND1 2.77Å; C177-H181 WeakPolarHBondContact O-CA 3.45Å; C177-H181 PolarHBondContact O-N 3.44Å | ||
| 182 | I | 97.4 | Very high | 95.1 | Very high | 35 Ų | 35 | 60.5 Ų | 60.5 | 18% | 0.179 | 29% | 0.291 | C | S | . | . | trans | -103.2 | 144 | 172.9 | 59.4 | 164.3 | 0 | 0 | 0 | 110.1 | P158 K159 E176 C177 C180 V184 | P158-I182 HydrophobicContact CG-CD1 3.65Å; K159-I182 HydrophobicContact CB-CD1 4.22Å; K159-I182 HydrophobicContact CD-CD1 3.8Å; K159-I182 HydrophobicContact CD-CG1 4.41Å; K159-I182 HydrophobicContact CD-CG2 4Å; K159-I182 HydrophobicContact CG-CD1 3.74Å; E176-I182 VanDerWaalsContact CA-O 3.32Å; E176-I182 WeakPolarHBondContact CA-O 3.13Å; C177-I182 HydrophobicContact CB-CG1 4.38Å; C177-I182 PolarHBondContact N-O 2.87Å; C180-I182 HydrophobicContact CB-CG1 3.91Å; C180-I182 PolarHBondContact O-N 2.92Å; I182-V184 HydrophobicContact CD1-CG2 4.17Å; I182-V184 HydrophobicContact CG1-CG2 4.01Å; I182-V184 PolarHBondContact O-N 3.23Å | ||
| 183 | N | 97.6 | Very high | 94 | Very high | 62 Ų | 62 | 66 Ų | 66 | 33% | 0.332 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 129.6 | 171.6 | -166.6 | 38.5 | 0 | 0 | 0 | 110.2 | G174 Q175 Y185 E213 | G174-N183 VanDerWaalsContact C-OD1 3.29Å; G174-N183 WeakPolarHBondContact CA-OD1 3.28Å; Q175-N183 PolarHBondContact N-OD1 3Å; N183-Y185 PolarHBondContact ND2-OH 3Å; N183-E213 VanDerWaalsContact ND2-CD 3.33Å; N183-E213 PolarHBondContact ND2-OE2 2.9Å |
| 184 | V | 97.8 | Very high | 92.3 | Very high | 7 Ų | 7 | 73.7 Ų | 73.7 | 4% | 0.042 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 122.2 | -178.6 | 179.5 | 0 | 0 | 0 | 0 | 108.9 | Y155 K156 C157 W164 G174 Q175 C177 I182 | Y155-V184 HydrophobicContact CD1-CG1 4.44Å; Y155-V184 VanDerWaalsContact CD1-O 3.25Å; Y155-V184 WeakPolarHBondContact CD1-O 3.3Å; Y155-V184 WeakPolarHBondContact CE1-O 3.43Å; K156-V184 WeakPolarHBondContact O-CG1 3.15Å; C157-V184 HydrophobicContact CB-CG2 4.44Å; W164-V184 HydrophobicContact CH2-CB 3.76Å; W164-V184 HydrophobicContact CH2-CG1 3.87Å; W164-V184 HydrophobicContact CH2-CG2 3.88Å; W164-V184 HydrophobicContact CZ2-CB 3.99Å; W164-V184 HydrophobicContact CZ2-CG1 4.27Å; W164-V184 HydrophobicContact CZ2-CG2 4.48Å; G174-V184 VanDerWaalsContact CA-O 3.25Å; G174-V184 WeakPolarHBondContact CA-O 3.36Å; Q175-V184 PolarHBondContact N-O 2.93Å; Q175-V184 WeakPolarHBondContact O-CB 3.25Å; Q175-V184 PolarHBondContact O-N 3.15Å; C177-V184 HydrophobicContact CB-CG2 4.21Å; I182-V184 HydrophobicContact CD1-CG2 4.17Å; I182-V184 HydrophobicContact CG1-CG2 4.01Å; I182-V184 PolarHBondContact O-N 3.23Å |
| 185 | Y | 97.1 | Very high | 90.4 | Very high | 83 Ų | 83 | 77.4 Ų | 77.4 | 33% | 0.325 | 37% | 0.371 | S | S | . | . | trans | -78.7 | 144.8 | 174.3 | -65.4 | -73.9 | 0 | 0 | 0 | 111.1 | L142 T143 N183 | L142-Y185 HydrophobicContact CB-CD1 4.1Å; L142-Y185 HydrophobicContact CB-CE1 4.04Å; L142-Y185 HydrophobicContact CB-CG 4.42Å; L142-Y185 HydrophobicContact CD1-CE1 3.88Å; L142-Y185 HydrophobicContact CD1-CE2 4.21Å; L142-Y185 WeakPolarHBondContact CD1-OH 3.47Å; T143-Y185 HydrophobicContact CG2-CD1 3.74Å; T143-Y185 HydrophobicContact CG2-CG 4.39Å; N183-Y185 PolarHBondContact ND2-OH 3Å | ||
| 186 | P | 96.5 | Very high | 88.3 | Confident | 4 Ų | 4 | 85.3 Ų | 85.3 | 3% | 0.026 | 41% | 0.414 | C | S | . | . | trans | -66.5 | 136.1 | 176.3 | 29.4 | -35.2 | 0 | 0 | 0 | 110.2 | T143 P144 E154 Y155 Q189 | T143-P186 HydrophobicContact CG2-CG 3.94Å; P144-P186 VanDerWaalsContact CD-O 3.25Å; P144-P186 WeakPolarHBondContact CD-O 3.28Å; E154-P186 CarbonylContact O-C 3.48Å; E154-P186 VanDerWaalsContact O-CA 3.24Å; E154-P186 WeakPolarHBondContact O-CA 3.1Å; Y155-P186 HydrophobicContact CD1-CB 4.09Å; Y155-P186 HydrophobicContact CE1-CB 3.76Å; Y155-P186 HydrophobicContact CE1-CG 4.07Å; Y155-P186 HydrophobicContact CE2-CB 4.26Å; Y155-P186 HydrophobicContact CG-CB 4.48Å; P186-Q189 HydrophobicContact CB-CG 3.79Å; P186-Q189 VanDerWaalsContact CG-CD 3.41Å; P186-Q189 HydrophobicContact CG-CG 3.64Å | ||
| 187 | H | 94.3 | Very high | 86.4 | Confident | 93 Ų | 93 | 87.5 Ų | 87.5 | 43% | 0.431 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -89.8 | -16.6 | 177.7 | 67.1 | -72.2 | 0 | 0 | 0 | 112.5 | E154 | E154-H187 PolarHBondContact O-CE1 3.31Å; E154-H187 PolarHBondContact O-N 3.13Å; E154-H187 PolarHBondContact O-ND1 3.02Å |
| 188 | K | 93.4 | Very high | 84.3 | Confident | 114 Ų | 114 | 93.4 Ų | 93.4 | 50% | 0.496 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 138.8 | 170.4 | -62.7 | 176.8 | -178.3 | 177.8 | 0 | 108.5 | G153 E154 | G153-K188 WeakPolarHBondContact CA-O 3.35Å; E154-K188 HydrophobicContact CB-CB 4.23Å; E154-K188 PolarHBondContact N-O 3.33Å |
| 189 | Q | 93.6 | Very high | 82.4 | Confident | 23 Ų | 23 | 93 Ų | 93 | 11% | 0.107 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 132.2 | 173.2 | -76.5 | 171.7 | -58.9 | 0 | 0 | 109 | T143 F152 S169 W170 P186 | T143-Q189 PolarHBondContact OG1-OE1 2.9Å; F152-Q189 CarbonylContact O-C 3.48Å; F152-Q189 VanDerWaalsContact O-CA 3.22Å; F152-Q189 WeakPolarHBondContact O-CA 3.27Å; S169-Q189 PolarHBondContact OG-NE2 3.35Å; W170-Q189 PolarHBondContact O-NE2 3.18Å; P186-Q189 HydrophobicContact CB-CG 3.79Å; P186-Q189 VanDerWaalsContact CG-CD 3.41Å; P186-Q189 HydrophobicContact CG-CG 3.64Å |
| 190 | R | 91.3 | Very high | 80.4 | Confident | 132 Ų | 132 | 91 Ų | 91 | 50% | 0.498 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 135.2 | -179.8 | -69.7 | -176.8 | -80.7 | 162.4 | -4.8 | 109 | C151 F152 E154 L192 | C151-R190 VanDerWaalsContact CB-O 3.32Å; C151-R190 WeakPolarHBondContact CB-O 3.49Å; F152-R190 PolarHBondContact N-O 2.7Å; F152-R190 PolarHBondContact O-N 2.89Å; E154-R190 IonicContact OE1-CZ 3.56Å; E154-R190 IonicContact OE1-NE 2.74Å; E154-R190 PolarHBondContact OE1-NE 2.85Å; E154-R190 IonicContact OE1-NH2 3.44Å; E154-R190 PolarHBondContact OE1-NH2 2.82Å; R190-L192 PolarHBondContact O-N 3.07Å |
| 191 | P | 89 | Confident | 78.5 | Confident | 90 Ų | 90 | 93.3 Ų | 93.3 | 58% | 0.584 | 49% | 0.493 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -50.7 | 141.6 | 171.3 | -25.9 | 35.2 | 0 | 0 | 0 | 110.9 | E193 | P191-E193 VanDerWaalsContact C-N 3.34Å; P191-E193 PolarHBondContact O-N 3.48Å |
| 192 | L | 82.6 | Confident | 77.1 | Confident | 68 Ų | 68 | 92.1 Ų | 92.1 | 36% | 0.356 | 49% | 0.49 | S | S | . | . | trans | -76.1 | 91.9 | 169.3 | -72.8 | 163.1 | 0 | 0 | 0 | 107.1 | R150 F152 R190 | R150-L192 HydrophobicContact CB-CD1 4.45Å; R150-L192 HydrophobicContact CG-CD1 4.04Å; F152-L192 HydrophobicContact CB-CD2 4.05Å; R190-L192 PolarHBondContact O-N 3.07Å | ||
| 193 | E | 71.3 | Confident | 75.6 | Confident | 172 Ų | 172 | 97 Ų | 97 | 80% | 0.804 | 51% | 0.512 | S | S | * | . | trans | -64.3 | 132.4 | 168.4 | -71.1 | 177.2 | -174.1 | 0 | 0 | 108.4 | P191 P195 | P191-E193 VanDerWaalsContact C-N 3.34Å; P191-E193 PolarHBondContact O-N 3.48Å; E193-P195 VanDerWaalsContact C-CD 3.5Å; E193-P195 WeakPolarHBondContact O-CD 3.37Å | ||
| 194 | K | 60.2 | Low | 74.3 | Confident | 200 Ų | 200 | 98.3 Ų | 98.3 | 87% | 0.87 | 53% | 0.526 | S | S | * | . | trans | -96 | 92 | 168.9 | -61.9 | -178.7 | -177.1 | -174.5 | 0 | 106.1 | D196 | K194-D196 PolarHBondContact O-N 2.74Š| ||
| 195 | P | 55.8 | Low | 73.4 | Confident | 81 Ų | 81 | 105 Ų | 105 | 53% | 0.526 | 56% | 0.555 | S | S | . | * | trans | -60.4 | 125.4 | 163.6 | 26.1 | -30.5 | 0 | 0 | 0 | 106.7 | E193 G197 L198 | E193-P195 VanDerWaalsContact C-CD 3.5Å; E193-P195 WeakPolarHBondContact O-CD 3.37Å; P195-G197 PolarHBondContact O-N 3.44Å; P195-L198 PolarHBondContact O-N 3.23Å | ||
| 196 | D | 52.9 | Low | 72.7 | Confident | 177 Ų | 177 | 107.4 Ų | 107.4 | 95% | 0.947 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.8 | 103.4 | -174.2 | -148.5 | 9.4 | 0 | 0 | 0 | 110.1 | K194 | K194-D196 PolarHBondContact O-N 2.74Š|
| 197 | G | 57.3 | Low | 72.3 | Confident | 80 Ų | 80 | 108 Ų | 108 | 83% | 0.825 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 94.7 | 0.7 | 170 | 0 | 0 | 0 | 0 | 0 | 119.6 | P195 | P195-G197 PolarHBondContact O-N 3.44Š|
| 198 | L | 55.2 | Low | 72.2 | Confident | 125 Ų | 125 | 106.8 Ų | 106.8 | 65% | 0.654 | 57% | 0.572 | S | S | * | * | trans | -117.5 | 98 | 172.9 | -164.5 | 68.5 | 0 | 0 | 0 | 111 | P195 V200 | P195-L198 PolarHBondContact O-N 3.23Å; L198-V200 HydrophobicContact CD2-CG2 4.2Å; L198-V200 HydrophobicContact CG-CG2 4.16Å; L198-V200 PolarHBondContact O-N 3.3Å | ||
| 199 | D | 54.8 | Low | 72.2 | Confident | 94 Ų | 94 | 104.3 Ų | 104.3 | 50% | 0.503 | 56% | 0.562 | S | S | . | * | trans | -75.2 | 85.7 | 178.4 | -167.9 | 11.9 | 0 | 0 | 0 | 110.9 | S201 Q203 | D199-S201 PolarHBondContact O-N 2.65Å; D199-S201 VanDerWaalsContact O-N 3.13Å; D199-S201 PolarHBondContact OD1-N 2.76Å; D199-Q203 VanDerWaalsContact OD2-CG 3.31Å; D199-Q203 WeakPolarHBondContact OD2-CG 3.45Å; D199-Q203 PolarHBondContact OD2-NE2 2.97Å | ||
| 200 | V | 56.7 | Low | 72.2 | Confident | 117 Ų | 117 | 109.2 Ų | 109.2 | 71% | 0.709 | 59% | 0.585 | S | S | * | * | trans | -70.5 | -1 | -179.5 | -173.5 | 0 | 0 | 0 | 0 | 112.3 | L198 | L198-V200 HydrophobicContact CD2-CG2 4.2Å; L198-V200 HydrophobicContact CG-CG2 4.16Å; L198-V200 PolarHBondContact O-N 3.3Å | ||
| 201 | S | 57.4 | Low | 72.5 | Confident | 80 Ų | 80 | 103.6 Ų | 103.6 | 56% | 0.559 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -136.7 | 104 | 173.2 | -91.9 | 0 | 0 | 0 | 0 | 110.4 | D199 Q203 | D199-S201 PolarHBondContact O-N 2.65Å; D199-S201 VanDerWaalsContact O-N 3.13Å; D199-S201 PolarHBondContact OD1-N 2.76Å; S201-Q203 PolarHBondContact O-N 3.19Å |
| 202 | D | 66.3 | Low | 72.8 | Confident | 98 Ų | 98 | 99.4 Ų | 99.4 | 52% | 0.524 | 54% | 0.537 | S | S | . | . | trans | -36.2 | 100.9 | 166.6 | -176.3 | -2.7 | 0 | 0 | 0 | 110.9 | S204 K205 | D202-S204 VanDerWaalsContact CG-OG 3.32Å; D202-S204 PolarHBondContact O-N 2.78Å; D202-S204 VanDerWaalsContact O-N 3.17Å; D202-S204 WeakPolarHBondContact OD1-CB 3.26Å; D202-S204 PolarHBondContact OD1-N 3.13Å; D202-S204 VanDerWaalsContact OD1-N 3.13Å; D202-S204 PolarHBondContact OD1-OG 3.46Å; D202-S204 PolarHBondContact OD2-OG 3.06Å; D202-K205 HydrophobicContact CB-CB 4.27Å; D202-K205 WeakPolarHBondContact O-CB 3.4Å; D202-K205 PolarHBondContact O-N 3.5Å | ||
| 203 | Q | 66.9 | Low | 73.5 | Confident | 137 Ų | 137 | 98.5 Ų | 98.5 | 64% | 0.64 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -20.6 | -173.6 | -74.5 | 178.1 | 61.5 | 0 | 0 | 111.3 | D199 S201 R223 | D199-Q203 VanDerWaalsContact OD2-CG 3.31Å; D199-Q203 WeakPolarHBondContact OD2-CG 3.45Å; D199-Q203 PolarHBondContact OD2-NE2 2.97Å; S201-Q203 PolarHBondContact O-N 3.19Å; Q203-R223 PolarHBondContact O-NH1 2.94Å |
| 204 | S | 69.1 | Low | 74.6 | Confident | 90 Ų | 90 | 92.4 Ų | 92.4 | 63% | 0.629 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -23.1 | 176.8 | 80 | 0 | 0 | 0 | 0 | 113 | D202 E206 | D202-S204 VanDerWaalsContact CG-OG 3.32Å; D202-S204 PolarHBondContact O-N 2.78Å; D202-S204 VanDerWaalsContact O-N 3.17Å; D202-S204 WeakPolarHBondContact OD1-CB 3.26Å; D202-S204 PolarHBondContact OD1-N 3.13Å; D202-S204 VanDerWaalsContact OD1-N 3.13Å; D202-S204 PolarHBondContact OD1-OG 3.46Å; D202-S204 PolarHBondContact OD2-OG 3.06Å; S204-E206 PolarHBondContact O-N 3.26Å |
| 205 | K | 79.7 | Confident | 76.3 | Confident | 148 Ų | 148 | 83.1 Ų | 83.1 | 64% | 0.643 | 46% | 0.462 | S | S | * | . | trans | -67.3 | 104.8 | -177.8 | -171.7 | 170.1 | -174.9 | 167.7 | 0 | 110.9 | D202 R223 | D202-K205 HydrophobicContact CB-CB 4.27Å; D202-K205 WeakPolarHBondContact O-CB 3.4Å; D202-K205 PolarHBondContact O-N 3.5Å; K205-R223 VanDerWaalsContact O-CZ 3.28Å; K205-R223 PolarHBondContact O-NH1 3.04Å; K205-R223 PolarHBondContact O-NH2 3.43Å | ||
| 206 | E | 83.1 | Confident | 78.2 | Confident | 133 Ų | 133 | 84.5 Ų | 84.5 | 62% | 0.621 | 46% | 0.46 | S | S | * | . | trans | -62.8 | 139.4 | 172.2 | -63.3 | -161.2 | 173.7 | 0 | 0 | 110.4 | S204 | S204-E206 PolarHBondContact O-N 3.26Š| ||
| 207 | H | 86.6 | Confident | 80.2 | Confident | 16 Ų | 16 | 80.6 Ų | 80.6 | 7% | 0.074 | 44% | 0.442 | C | S | . | . | trans | -94.7 | 158.8 | 173.2 | 77 | -85.1 | 0 | 0 | 0 | 109.2 | N168 Q209 C212 C215 Y221 C222 | N168-H207 VanDerWaalsContact ND2-CB 3.28Å; N168-H207 WeakPolarHBondContact ND2-CB 3.4Å; N168-H207 PolarHBondContact ND2-ND1 3.07Å; H207-Q209 WeakPolarHBondContact O-CG 3.43Å; H207-Q209 PolarHBondContact O-N 2.96Å; H207-C212 WeakPolarHBondContact NE2-CB 2.76Å; H207-C215 VanDerWaalsContact CE1-SG 3.52Å; H207-C215 PolarHBondContact NE2-SG 3.12Å; H207-C215 VanDerWaalsContact NE2-SG 3.35Å; H207-Y221 AromaticContact CE1-CD2 3.96Å; H207-Y221 AromaticContact CE1-CE2 3.65Å; H207-Y221 AromaticContact ND1-CE2 3.44Å; H207-Y221 WeakPolarHBondContact ND1-CE2 3.42Å; H207-C222 PolarHBondContact CE1-SG 3.13Å | ||
| 208 | P | 92.1 | Very high | 82 | Confident | 67 Ų | 67 | 78.9 Ų | 78.9 | 44% | 0.435 | 41% | 0.414 | S | S | . | . | trans | -65.1 | 95.2 | 179.5 | 26 | -34.5 | 0 | 0 | 0 | 110.9 | H210 L211 C212 | P208-H210 VanDerWaalsContact C-N 3.27Å; P208-H210 PolarHBondContact O-N 3.13Å; P208-L211 HydrophobicContact CB-CB 4.4Å; P208-L211 HydrophobicContact CB-CD1 4Å; P208-L211 HydrophobicContact CB-CG 4.15Å; P208-L211 HydrophobicContact CG-CB 4.49Å; P208-L211 HydrophobicContact CG-CD1 4.04Å; P208-L211 PolarHBondContact O-N 3.48Å; P208-C212 PolarHBondContact O-N 3.47Å | ||
| 209 | Q | 94.2 | Very high | 83.9 | Confident | 63 Ų | 63 | 76.3 Ų | 76.3 | 29% | 0.294 | 42% | 0.417 | S | S | . | . | G | 310 helix | trans | -61.9 | -36.6 | -175.4 | -57.2 | -173.5 | 44.8 | 0 | 0 | 111.7 | H207 L211 C212 C215 Y221 | H207-Q209 WeakPolarHBondContact O-CG 3.43Å; H207-Q209 PolarHBondContact O-N 2.96Å; Q209-L211 PolarHBondContact O-N 3.37Å; Q209-L211 VanDerWaalsContact O-N 3.13Å; Q209-C212 PolarHBondContact O-N 3.17Å; Q209-C215 HydrophobicContact CB-CB 4.07Å; Q209-Y221 HydrophobicContact CG-CD2 4.15Å |
| 210 | H | 94.8 | Very high | 85.7 | Confident | 125 Ų | 125 | 76.6 Ų | 76.6 | 58% | 0.579 | 41% | 0.412 | S | S | * | . | G | 310 helix | trans | -64 | -14.1 | 176.9 | 68.6 | -85.5 | 0 | 0 | 0 | 113.7 | P208 K216 | P208-H210 VanDerWaalsContact C-N 3.27Å; P208-H210 PolarHBondContact O-N 3.13Å; H210-K216 WeakPolarHBondContact O-CE 3.34Å; H210-K216 PolarHBondContact O-NZ 3.4Å |
| 211 | L | 95.9 | Very high | 87.3 | Confident | 14 Ų | 14 | 72.6 Ų | 72.6 | 7% | 0.073 | 39% | 0.385 | C | S | . | . | G | 310 helix | trans | -103.1 | -7.2 | 173.3 | -55.8 | 179.2 | 0 | 0 | 0 | 112.3 | Q175 E176 I178 P208 Q209 | Q175-L211 CarbonylContact C-O 3.52Å; Q175-L211 VanDerWaalsContact CA-O 3.26Å; Q175-L211 WeakPolarHBondContact CA-O 3.26Å; E176-L211 HydrophobicContact CB-CB 4.15Å; E176-L211 HydrophobicContact CB-CD2 3.94Å; E176-L211 HydrophobicContact CG-CD2 4.24Å; E176-L211 PolarHBondContact N-O 3.39Å; I178-L211 HydrophobicContact CB-CD1 4.04Å; I178-L211 HydrophobicContact CD1-CD1 4.5Å; I178-L211 HydrophobicContact CG1-CD1 4.31Å; P208-L211 HydrophobicContact CB-CB 4.4Å; P208-L211 HydrophobicContact CB-CD1 4Å; P208-L211 HydrophobicContact CB-CG 4.15Å; P208-L211 HydrophobicContact CG-CB 4.49Å; P208-L211 HydrophobicContact CG-CD1 4.04Å; P208-L211 PolarHBondContact O-N 3.48Å; Q209-L211 PolarHBondContact O-N 3.37Å; Q209-L211 VanDerWaalsContact O-N 3.13Å |
| 212 | C | 96.3 | Very high | 88.9 | Confident | 2 Ų | 2 | 68.8 Ų | 68.8 | 1% | 0.014 | 36% | 0.358 | C | S | . | . | B | Isolated β-bridge | trans | -94 | 116.6 | -176.8 | -179.3 | 0 | 0 | 0 | 0 | 110.6 | H207 P208 Q209 K214 C215 K216 | H207-C212 WeakPolarHBondContact NE2-CB 2.76Å; P208-C212 PolarHBondContact O-N 3.47Å; Q209-C212 PolarHBondContact O-N 3.17Å; C212-K214 VanDerWaalsContact C-N 3.28Å; C212-K214 PolarHBondContact O-N 2.91Å; C212-C215 HydrophobicContact CB-CB 3.91Å; C212-C215 PolarHBondContact O-N 3.36Å; C212-C215 VanDerWaalsContact O-N 3.13Å; C212-K216 WeakPolarHBondContact O-CG 3.44Å; C212-K216 PolarHBondContact O-N 3.27Å |
| 213 | E | 96.6 | Very high | 90 | Very high | 49 Ų | 49 | 66.8 Ų | 66.8 | 23% | 0.229 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -57.9 | -41.9 | 178.1 | -173 | 175.4 | -164.3 | 0 | 0 | 111.5 | M173 G174 N183 C215 K216 V217 | M173-E213 WeakPolarHBondContact CA-OE2 3.5Å; M173-E213 HydrophobicContact SD-CB 4.46Å; M173-E213 HydrophobicContact SD-CG 3.92Å; G174-E213 PolarHBondContact N-OE2 3.25Å; G174-E213 VanDerWaalsContact O-CB 3.23Å; G174-E213 WeakPolarHBondContact O-CB 3.5Å; G174-E213 PolarHBondContact O-N 3.35Å; N183-E213 VanDerWaalsContact ND2-CD 3.33Å; N183-E213 PolarHBondContact ND2-OE2 2.9Å; E213-C215 PolarHBondContact O-N 2.89Å; E213-K216 WeakPolarHBondContact O-CB 3.36Å; E213-K216 PolarHBondContact O-N 2.96Å; E213-V217 HydrophobicContact CG-CG2 4.41Å; E213-V217 VanDerWaalsContact O-CG2 3.31Å; E213-V217 WeakPolarHBondContact O-CG2 3.44Å; E213-V217 PolarHBondContact O-N 2.92Å |
| 214 | K | 95.8 | Very high | 91 | Very high | 44 Ų | 44 | 69.3 Ų | 69.3 | 19% | 0.191 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60.7 | -41.7 | 176.9 | -172.4 | 66.7 | 173.1 | 179.1 | 0 | 112.4 | W170 M173 C212 L218 C222 | W170-K214 HydrophobicContact CD2-CG 4.25Å; W170-K214 HydrophobicContact CG-CB 4.24Å; W170-K214 HydrophobicContact CG-CD 4.38Å; W170-K214 HydrophobicContact CG-CG 3.98Å; M173-K214 HydrophobicContact CB-CB 4.45Å; M173-K214 HydrophobicContact CE-CD 4.5Å; M173-K214 HydrophobicContact CG-CB 4.31Å; M173-K214 HydrophobicContact CG-CD 4.2Å; M173-K214 HydrophobicContact SD-CD 4.45Å; C212-K214 VanDerWaalsContact C-N 3.28Å; C212-K214 PolarHBondContact O-N 2.91Å; K214-L218 HydrophobicContact CD-CD1 4.3Å; K214-L218 HydrophobicContact CD-CG 4.43Å; K214-L218 HydrophobicContact CG-CD1 3.99Å; K214-L218 HydrophobicContact CG-CG 4.49Å; K214-L218 WeakPolarHBondContact O-CB 3.07Å; K214-L218 WeakPolarHBondContact O-CG 3.28Å; K214-L218 PolarHBondContact O-N 3.35Å; K214-C222 HydrophobicContact CB-CB 4.15Å; K214-C222 HydrophobicContact CG-CB 3.7Å |
| 215 | C | 95.9 | Very high | 91.6 | Very high | 5 Ų | 5 | 67 Ų | 67 | 3% | 0.034 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -67.1 | -41.2 | 176.6 | -66.8 | 0 | 0 | 0 | 0 | 111.4 | H207 Q209 C212 E213 V217 L218 G219 C222 | H207-C215 VanDerWaalsContact CE1-SG 3.52Å; H207-C215 PolarHBondContact NE2-SG 3.12Å; H207-C215 VanDerWaalsContact NE2-SG 3.35Å; Q209-C215 HydrophobicContact CB-CB 4.07Å; C212-C215 HydrophobicContact CB-CB 3.91Å; C212-C215 PolarHBondContact O-N 3.36Å; C212-C215 VanDerWaalsContact O-N 3.13Å; E213-C215 PolarHBondContact O-N 2.89Å; C215-V217 VanDerWaalsContact C-N 3.35Å; C215-V217 PolarHBondContact O-N 2.81Å; C215-L218 PolarHBondContact O-N 2.77Å; C215-G219 PolarHBondContact O-N 3.23Å; C215-C222 VanDerWaalsContact SG-CB 3.54Å; C215-C222 PolarHBondContact SG-N 3.17Å; C215-C222 VanDerWaalsContact SG-N 3.37Å |
| 216 | K | 95.6 | Very high | 90.9 | Very high | 110 Ų | 110 | 70 Ų | 70 | 48% | 0.478 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59.3 | -45.4 | 175.8 | -67.9 | -180 | -176.4 | -172.6 | 0 | 111.7 | E176 H210 C212 E213 G219 | E176-K216 IonicContact OE2-NZ 3.44Å; E176-K216 PolarHBondContact OE2-NZ 2.73Å; H210-K216 WeakPolarHBondContact O-CE 3.34Å; H210-K216 PolarHBondContact O-NZ 3.4Å; C212-K216 WeakPolarHBondContact O-CG 3.44Å; C212-K216 PolarHBondContact O-N 3.27Å; E213-K216 WeakPolarHBondContact O-CB 3.36Å; E213-K216 PolarHBondContact O-N 2.96Å; K216-G219 PolarHBondContact O-N 3.46Å |
| 217 | V | 95.2 | Very high | 91.3 | Very high | 95 Ų | 95 | 66.9 Ų | 66.9 | 58% | 0.576 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -65.6 | -39.2 | 178.7 | 170.7 | 0 | 0 | 0 | 0 | 112 | M173 E213 C215 | M173-V217 HydrophobicContact SD-CG2 4.47Å; E213-V217 HydrophobicContact CG-CG2 4.41Å; E213-V217 VanDerWaalsContact O-CG2 3.31Å; E213-V217 WeakPolarHBondContact O-CG2 3.44Å; E213-V217 PolarHBondContact O-N 2.92Å; C215-V217 VanDerWaalsContact C-N 3.35Å; C215-V217 PolarHBondContact O-N 2.81Å |
| 218 | L | 94.8 | Very high | 91.5 | Very high | 45 Ų | 45 | 69.6 Ų | 69.6 | 24% | 0.236 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -77 | -27.9 | 179.7 | -70.1 | 173.9 | 0 | 0 | 0 | 113.3 | K214 C215 Y220 C222 V225 | K214-L218 HydrophobicContact CD-CD1 4.3Å; K214-L218 HydrophobicContact CD-CG 4.43Å; K214-L218 HydrophobicContact CG-CD1 3.99Å; K214-L218 HydrophobicContact CG-CG 4.49Å; K214-L218 WeakPolarHBondContact O-CB 3.07Å; K214-L218 WeakPolarHBondContact O-CG 3.28Å; K214-L218 PolarHBondContact O-N 3.35Å; C215-L218 PolarHBondContact O-N 2.77Å; L218-Y220 HydrophobicContact CB-CD1 3.88Å; L218-Y220 HydrophobicContact CB-CE1 3.78Å; L218-Y220 HydrophobicContact CB-CE2 4.44Å; L218-Y220 HydrophobicContact CB-CG 4.25Å; L218-Y220 HydrophobicContact CD1-CE2 4.05Å; L218-Y220 HydrophobicContact CD2-CE1 4.09Å; L218-Y220 HydrophobicContact CG-CE1 4.37Å; L218-Y220 WeakPolarHBondContact O-CD1 3.22Å; L218-Y220 PolarHBondContact O-N 3.47Å; L218-C222 HydrophobicContact CD1-CB 4.01Å; L218-V225 HydrophobicContact CD1-CG2 3.57Å; L218-V225 HydrophobicContact CD2-CG2 4.43Å |
| 219 | G | 94.6 | Very high | 91.5 | Very high | 70 Ų | 70 | 69.7 Ų | 69.7 | 72% | 0.722 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.8 | 3.2 | -167.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | C215 K216 | C215-G219 PolarHBondContact O-N 3.23Å; K216-G219 PolarHBondContact O-N 3.46Å |
| 220 | Y | 92.1 | Very high | 91.3 | Very high | 101 Ų | 101 | 70.1 Ų | 70.1 | 40% | 0.396 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -148.3 | 173.3 | 178.9 | 66.6 | -94.8 | 0 | 0 | 0 | 112.4 | L218 C222 R224 V225 | L218-Y220 HydrophobicContact CB-CD1 3.88Å; L218-Y220 HydrophobicContact CB-CE1 3.78Å; L218-Y220 HydrophobicContact CB-CE2 4.44Å; L218-Y220 HydrophobicContact CB-CG 4.25Å; L218-Y220 HydrophobicContact CD1-CE2 4.05Å; L218-Y220 HydrophobicContact CD2-CE1 4.09Å; L218-Y220 HydrophobicContact CG-CE1 4.37Å; L218-Y220 WeakPolarHBondContact O-CD1 3.22Å; L218-Y220 PolarHBondContact O-N 3.47Å; Y220-C222 PolarHBondContact O-N 2.87Å; Y220-R224 HydrophobicContact CD2-CB 4.48Å; Y220-R224 HydrophobicContact CE2-CB 4.22Å; Y220-V225 HydrophobicContact CE2-CG2 4.14Å |
| 221 | Y | 90.6 | Very high | 91.1 | Very high | 33 Ų | 33 | 66.7 Ų | 66.7 | 13% | 0.129 | 33% | 0.328 | C | S | . | . | trans | -58.5 | 114.4 | -176 | -173.4 | -134.2 | 0 | 0 | 0 | 113.8 | H207 Q209 R223 R224 | H207-Y221 AromaticContact CE1-CD2 3.96Å; H207-Y221 AromaticContact CE1-CE2 3.65Å; H207-Y221 AromaticContact ND1-CE2 3.44Å; H207-Y221 WeakPolarHBondContact ND1-CE2 3.42Å; Q209-Y221 HydrophobicContact CG-CD2 4.15Å; Y221-R223 HydrophobicContact CD1-CB 3.93Å; Y221-R223 HydrophobicContact CD1-CG 4.49Å; Y221-R223 HydrophobicContact CE1-CB 3.5Å; Y221-R223 VanDerWaalsContact CE1-CB 3.5Å; Y221-R223 HydrophobicContact CE1-CG 3.78Å; Y221-R223 HydrophobicContact CE2-CB 4.47Å; Y221-R223 HydrophobicContact CE2-CG 4.01Å; Y221-R223 PolarHBondContact O-N 3.04Å; Y221-R223 VanDerWaalsContact O-N 3.13Å; Y221-R223 WeakPolarHBondContact OH-CD 3.47Å; Y221-R223 VanDerWaalsContact OH-CZ 3.24Å; Y221-R223 PolarHBondContact OH-NE 2.94Å; Y221-R223 PolarHBondContact OH-NH1 3.13Å; Y221-R224 HydrophobicContact CD1-CG 4.28Å; Y221-R224 WeakPolarHBondContact O-CB 3.31Å; Y221-R224 PolarHBondContact O-N 2.78Å | ||
| 222 | C | 91.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -66 | -19.2 | -172.4 | 73.5 | 0 | 0 | 0 | 0 | 114.8 | W170 H207 K214 C215 L218 Y220 R224 V225 | W170-C222 HydrophobicContact CZ2-CB 4.5Å; W170-C222 VanDerWaalsContact CZ2-O 3.3Å; W170-C222 WeakPolarHBondContact CZ2-O 3.48Å; W170-C222 PolarHBondContact NE1-SG 3.48Å; H207-C222 PolarHBondContact CE1-SG 3.13Å; K214-C222 HydrophobicContact CB-CB 4.15Å; K214-C222 HydrophobicContact CG-CB 3.7Å; C215-C222 VanDerWaalsContact SG-CB 3.54Å; C215-C222 PolarHBondContact SG-N 3.17Å; C215-C222 VanDerWaalsContact SG-N 3.37Å; L218-C222 HydrophobicContact CD1-CB 4.01Å; Y220-C222 PolarHBondContact O-N 2.87Å; C222-R224 PolarHBondContact O-N 2.74Å; C222-V225 WeakPolarHBondContact O-CB 3.45Å; C222-V225 PolarHBondContact O-N 2.57Å; C222-V225 VanDerWaalsContact O-N 3.15Å |
| 223 | R | 87.8 | Confident | 90.4 | Very high | 56 Ų | 56 | 75.1 Ų | 75.1 | 21% | 0.211 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | -68.1 | -14.3 | 177.3 | -61.4 | -164.6 | -170.2 | 167.6 | 4.2 | 113.4 | N168 Q203 K205 Y221 | N168-R223 PolarHBondContact ND2-NH2 3.33Å; N168-R223 VanDerWaalsContact OD1-CG 3.22Å; N168-R223 WeakPolarHBondContact OD1-CG 3.07Å; N168-R223 PolarHBondContact OD1-NE 3.33Å; Q203-R223 PolarHBondContact O-NH1 2.94Å; K205-R223 VanDerWaalsContact O-CZ 3.28Å; K205-R223 PolarHBondContact O-NH1 3.04Å; K205-R223 PolarHBondContact O-NH2 3.43Å; Y221-R223 HydrophobicContact CD1-CB 3.93Å; Y221-R223 HydrophobicContact CD1-CG 4.49Å; Y221-R223 HydrophobicContact CE1-CB 3.5Å; Y221-R223 VanDerWaalsContact CE1-CB 3.5Å; Y221-R223 HydrophobicContact CE1-CG 3.78Å; Y221-R223 HydrophobicContact CE2-CB 4.47Å; Y221-R223 HydrophobicContact CE2-CG 4.01Å; Y221-R223 PolarHBondContact O-N 3.04Å; Y221-R223 VanDerWaalsContact O-N 3.13Å; Y221-R223 WeakPolarHBondContact OH-CD 3.47Å; Y221-R223 VanDerWaalsContact OH-CZ 3.24Å; Y221-R223 PolarHBondContact OH-NE 2.94Å; Y221-R223 PolarHBondContact OH-NH1 3.13Å |
| 224 | R | 87.9 | Confident | 89.9 | Confident | 189 Ų | 189 | 77.1 Ų | 77.1 | 71% | 0.713 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -72.4 | -19 | 173.7 | -62.7 | -176.9 | -175.8 | 174 | 1.6 | 112.6 | Y220 Y221 C222 | Y220-R224 HydrophobicContact CD2-CB 4.48Å; Y220-R224 HydrophobicContact CE2-CB 4.22Å; Y221-R224 HydrophobicContact CD1-CG 4.28Å; Y221-R224 WeakPolarHBondContact O-CB 3.31Å; Y221-R224 PolarHBondContact O-N 2.78Å; C222-R224 PolarHBondContact O-N 2.74Å |
| 225 | V | 81.7 | Confident | 89.4 | Confident | 42 Ų | 42 | 79.8 Ų | 79.8 | 26% | 0.255 | 40% | 0.395 | S | S | . | . | trans | -80.8 | 120.1 | 171.8 | -173.2 | 0 | 0 | 0 | 0 | 106.7 | W170 L218 Y220 C222 | W170-V225 HydrophobicContact CH2-CB 3.85Å; W170-V225 HydrophobicContact CH2-CG1 3.95Å; W170-V225 VanDerWaalsContact CH2-O 3.28Å; W170-V225 WeakPolarHBondContact CH2-O 3.35Å; W170-V225 HydrophobicContact CZ2-CB 4.29Å; W170-V225 HydrophobicContact CZ3-CG1 4.18Å; L218-V225 HydrophobicContact CD1-CG2 3.57Å; L218-V225 HydrophobicContact CD2-CG2 4.43Å; Y220-V225 HydrophobicContact CE2-CG2 4.14Å; C222-V225 WeakPolarHBondContact O-CB 3.45Å; C222-V225 PolarHBondContact O-N 2.57Å; C222-V225 VanDerWaalsContact O-N 3.15Å | ||
| 226 | Q | 65.4 | Low | 88.8 | Confident | 212 Ų | 212 | 86.6 Ų | 86.6 | 99% | 0.991 | 43% | 0.428 | S | S | * | . | trans | -94.9 | 0 | 177.6 | -79.7 | -174.9 | -4.3 | 0 | 0 | 111.8 |
Retrieved 226 of 226 residues in 76.3 ms
(Link to these results)