| 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 | 38.7 | Very low | 244 Ų | 244 | 155.3 Ų | 155.3 | 100% | 1.202 | 81% | 0.811 | S | S | * | * | 0 | 112.1 | 0 | -88.2 | 175 | 160.9 | 0 | 0 | 106.8 | |||||
| 2 | E | 37.3 | Very low | 38.3 | Very low | 196 Ų | 196 | 158.8 Ų | 158.8 | 92% | 0.916 | 82% | 0.82 | S | S | * | * | trans | -146.6 | 146.8 | 154.5 | -76.8 | -146.1 | 101 | 0 | 0 | 107.3 | ||||
| 3 | P | 53.4 | Low | 38.3 | Very low | 113 Ų | 113 | 153.5 Ų | 153.5 | 73% | 0.734 | 81% | 0.814 | S | S | * | * | trans | -101.7 | 159.9 | -172 | 38.5 | -34.6 | 0 | 0 | 0 | 114.7 | ||||
| 4 | S | 39.3 | Very low | 38.7 | Very low | 111 Ų | 111 | 151.9 Ų | 151.9 | 78% | 0.776 | 82% | 0.817 | S | S | * | * | trans | 0.9 | 153.1 | 138.3 | -57.6 | 0 | 0 | 0 | 0 | 120 | ||||
| 5 | R | 37.8 | Very low | 38.3 | Very low | 202 Ų | 202 | 149.2 Ų | 149.2 | 76% | 0.762 | 81% | 0.814 | S | S | * | * | cis | 150.3 | 125.4 | -6.3 | 166.9 | -164.4 | -175 | -166 | 4.4 | 106.4 | ||||
| 6 | E | 39.9 | Very low | 38.1 | Very low | 188 Ų | 188 | 147.6 Ų | 147.6 | 88% | 0.879 | 82% | 0.817 | S | S | * | * | trans | -136 | 138.6 | 162.6 | -57 | -174.7 | 128 | 0 | 0 | 106.1 | ||||
| 7 | Q | 38.9 | Very low | 38.1 | Very low | 144 Ų | 144 | 146.7 Ų | 146.7 | 67% | 0.673 | 82% | 0.817 | S | S | * | * | cis | 67.2 | 132 | 38 | -62.5 | -163.6 | -96.7 | 0 | 0 | 113.1 | ||||
| 8 | L | 35.8 | Very low | 38.5 | Very low | 125 Ų | 125 | 145.6 Ų | 145.6 | 65% | 0.654 | 82% | 0.818 | S | S | * | * | cis | -150.5 | -179.8 | -15.8 | -89.2 | 170 | 0 | 0 | 0 | 106 | ||||
| 9 | Q | 33.7 | Very low | 38.3 | Very low | 159 Ų | 159 | 143.8 Ų | 143.8 | 74% | 0.743 | 82% | 0.815 | S | S | * | * | cis | -145 | 169.9 | 6.9 | -117.9 | 125.8 | -36.6 | 0 | 0 | 106.2 | ||||
| 10 | S | 34.7 | Very low | 38 | Very low | 100 Ų | 100 | 140.3 Ų | 140.3 | 70% | 0.699 | 81% | 0.812 | S | S | * | * | cis | 83.6 | 85.6 | 20.7 | -43.1 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 11 | S | 34.3 | Very low | 38 | Very low | 126 Ų | 126 | 140.9 Ų | 140.9 | 88% | 0.881 | 81% | 0.813 | S | S | * | * | trans | -147.1 | 156.4 | 166.9 | -76.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 12 | E | 34.3 | Very low | 38.2 | Very low | 197 Ų | 197 | 134.8 Ų | 134.8 | 92% | 0.921 | 79% | 0.791 | S | S | * | * | trans | -104.5 | 173.8 | -164.6 | -71.7 | 167.2 | 54.1 | 0 | 0 | 115.7 | ||||
| 13 | A | 37.2 | Very low | 38.6 | Very low | 90 Ų | 90 | 131.3 Ų | 131.3 | 74% | 0.744 | 79% | 0.786 | S | S | * | * | trans | -82.6 | 177.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 14 | P | 44.4 | Very low | 38 | Very low | 132 Ų | 132 | 131.9 Ų | 131.9 | 86% | 0.857 | 79% | 0.789 | S | S | * | * | -140.7 | 174.6 | 110.1 | 38.7 | -26.9 | 0 | 0 | 0 | 114.9 | |||||
| 15 | S | 33.5 | Very low | 37.7 | Very low | 111 Ų | 111 | 131.6 Ų | 131.6 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | trans | -93.7 | 160.3 | -175.6 | 53.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 16 | S | 33.9 | Very low | 37.4 | Very low | 123 Ų | 123 | 131.3 Ų | 131.3 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | trans | -168.5 | 144.3 | 143.8 | -81.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 17 | T | 38.3 | Very low | 36.9 | Very low | 133 Ų | 133 | 126 Ų | 126 | 82% | 0.816 | 80% | 0.797 | S | S | * | * | trans | -93.6 | 173.5 | 164.3 | 46.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 18 | P | 46.1 | Very low | 36.4 | Very low | 127 Ų | 127 | 127.2 Ų | 127.2 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | -137 | 168.2 | 113.4 | 38.2 | -28.9 | 0 | 0 | 0 | 114.4 | |||||
| 19 | S | 34.3 | Very low | 36 | Very low | 111 Ų | 111 | 127 Ų | 127 | 78% | 0.776 | 82% | 0.816 | S | S | * | * | trans | -94.5 | 168 | 173.2 | -167.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 20 | G | 31.9 | Very low | 36.1 | Very low | 73 Ų | 73 | 125.4 Ų | 125.4 | 75% | 0.753 | 82% | 0.817 | S | S | * | * | trans | -171.4 | 102.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 21 | D | 37.7 | Very low | 36 | Very low | 154 Ų | 154 | 126.4 Ų | 126.4 | 82% | 0.824 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 148.4 | 173.7 | -64.1 | -66.2 | 0 | 0 | 0 | 112.8 | ||
| 22 | P | 45.1 | Very low | 35.8 | Very low | 115 Ų | 115 | 129 Ų | 129 | 75% | 0.747 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -100.3 | 154 | 158.2 | 35.5 | -29.1 | 0 | 0 | 0 | 113 | ||
| 23 | P | 46.7 | Very low | 35.5 | Very low | 123 Ų | 123 | 123.1 Ų | 123.1 | 80% | 0.799 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 171.7 | -173.1 | 34.6 | -37.6 | 0 | 0 | 0 | 114.6 | ||
| 24 | P | 39.4 | Very low | 35 | Very low | 125 Ų | 125 | 127.2 Ų | 127.2 | 81% | 0.812 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 162 | -160.6 | 34.1 | -37.7 | 0 | 0 | 0 | 115.3 | ||
| 25 | A | 33.5 | Very low | 34.3 | Very low | 105 Ų | 105 | 126.7 Ų | 126.7 | 87% | 0.868 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -93 | 128.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 26 | E | 32.5 | Very low | 34 | Very low | 197 Ų | 197 | 129 Ų | 129 | 92% | 0.921 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -92.5 | 171.3 | 166.1 | -61.1 | -172.7 | 110.7 | 0 | 0 | 110.9 | ||
| 27 | G | 28.6 | Very low | 33.7 | Very low | 76 Ų | 76 | 131.7 Ų | 131.7 | 78% | 0.784 | 82% | 0.82 | S | S | * | * | trans | 106.6 | 75.2 | 154.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 28 | L | 28.4 | Very low | 33.1 | Very low | 170 Ų | 170 | 129.1 Ų | 129.1 | 89% | 0.89 | 82% | 0.82 | S | S | * | * | trans | -32.4 | 143.4 | 154.5 | -63.1 | 156.9 | 0 | 0 | 0 | 114.5 | ||||
| 29 | S | 28.6 | Very low | 32.1 | Very low | 120 Ų | 120 | 126.7 Ų | 126.7 | 84% | 0.839 | 82% | 0.818 | S | S | * | * | -169.8 | 135.5 | 117.5 | -81.8 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 30 | V | 34.9 | Very low | 31.9 | Very low | 126 Ų | 126 | 128.4 Ų | 128.4 | 76% | 0.764 | 82% | 0.823 | S | S | * | * | trans | -120.6 | 147.2 | 168.1 | 169.6 | 0 | 0 | 0 | 0 | 107.2 | E32 | V30-E32 HydrophobicContact CG1-CG 4.49Š| ||
| 31 | P | 33.6 | Very low | 31.7 | Very low | 120 Ų | 120 | 131.8 Ų | 131.8 | 78% | 0.779 | 83% | 0.83 | S | S | * | * | trans | -122.6 | 120 | 138.8 | 34 | -25.4 | 0 | 0 | 0 | 108.4 | ||||
| 32 | E | 29.4 | Very low | 31.2 | Very low | 181 Ų | 181 | 132.6 Ų | 132.6 | 85% | 0.846 | 83% | 0.829 | S | S | * | * | 47.2 | 116.4 | 65.5 | -69 | -148 | 115.8 | 0 | 0 | 112.7 | V30 | V30-E32 HydrophobicContact CG1-CG 4.49Š| |||
| 33 | G | 27.3 | Very low | 30.4 | Very low | 74 Ų | 74 | 132.3 Ų | 132.3 | 76% | 0.763 | 83% | 0.825 | S | S | * | * | trans | -92.4 | 172.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 34 | L | 28 | Very low | 30.1 | Very low | 176 Ų | 176 | 131.9 Ų | 131.9 | 92% | 0.921 | 82% | 0.822 | S | S | * | * | trans | -126.1 | 118.5 | 170.2 | -68.9 | 174 | 0 | 0 | 0 | 110 | ||||
| 35 | C | 27.9 | Very low | 29.8 | Very low | 121 Ų | 121 | 132.3 Ų | 132.3 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | -77.8 | 141.3 | 153.4 | -60 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 36 | L | 28.9 | Very low | 29.9 | Very low | 158 Ų | 158 | 133.4 Ų | 133.4 | 83% | 0.827 | 81% | 0.814 | S | S | * | * | 171 | 146.1 | 128 | -94.2 | 166.5 | 0 | 0 | 0 | 112 | |||||
| 37 | Q | 27.2 | Very low | 29.8 | Very low | 181 Ų | 181 | 130.8 Ų | 130.8 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | trans | 63 | 145 | 169.1 | -62.6 | 173 | 4.2 | 0 | 0 | 116 | ||||
| 38 | G | 26.3 | Very low | 29.8 | Very low | 79 Ų | 79 | 131.4 Ų | 131.4 | 81% | 0.814 | 80% | 0.804 | S | S | * | * | cis | 110.4 | 79.4 | 4.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 39 | G | 25.2 | Very low | 29.8 | Very low | 76 Ų | 76 | 132.8 Ų | 132.8 | 78% | 0.784 | 81% | 0.806 | S | S | * | * | trans | -148.6 | 100.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 40 | T | 28.4 | Very low | 29.8 | Very low | 146 Ų | 146 | 135.2 Ų | 135.2 | 90% | 0.896 | 81% | 0.809 | S | S | * | * | trans | -84.3 | 129.5 | 167.7 | 48.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 41 | T | 29 | Very low | 29.5 | Very low | 145 Ų | 145 | 139 Ų | 139 | 89% | 0.89 | 82% | 0.818 | S | S | * | * | trans | -135.6 | 145.1 | 167.2 | -47.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 42 | Q | 27.1 | Very low | 29.2 | Very low | 171 Ų | 171 | 137.1 Ų | 137.1 | 80% | 0.799 | 82% | 0.82 | S | S | * | * | trans | -144.4 | 162.4 | -165.6 | -150.2 | -173.6 | 16 | 0 | 0 | 111.1 | ||||
| 43 | T | 28.4 | Very low | 29.3 | Very low | 109 Ų | 109 | 139.3 Ų | 139.3 | 67% | 0.669 | 82% | 0.821 | S | S | * | * | trans | 61.6 | 167.9 | 167.1 | 65.5 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 44 | P | 38.8 | Very low | 29.9 | Very low | 113 Ų | 113 | 141 Ų | 141 | 73% | 0.734 | 82% | 0.818 | S | S | * | * | cis | -108.8 | 158.7 | -10.6 | 12.1 | 12.8 | 0 | 0 | 0 | 113 | ||||
| 45 | I | 33.3 | Very low | 29.9 | Very low | 134 Ų | 134 | 138.9 Ų | 138.9 | 69% | 0.687 | 81% | 0.807 | S | S | * | * | 69.1 | 119.4 | 57.8 | -64.8 | 174.4 | 0 | 0 | 0 | 111.1 | |||||
| 46 | P | 37.2 | Very low | 29.9 | Very low | 128 Ų | 128 | 136.8 Ų | 136.8 | 83% | 0.831 | 79% | 0.794 | S | S | * | * | -144.6 | 168.8 | 78.3 | 40.8 | -22.5 | 0 | 0 | 0 | 120 | |||||
| 47 | D | 28.8 | Very low | 30 | Very low | 143 Ų | 143 | 137.2 Ų | 137.2 | 77% | 0.765 | 79% | 0.792 | S | S | * | * | trans | -61 | 161.9 | -168.9 | -72 | -98.6 | 0 | 0 | 0 | 123.2 | ||||
| 48 | A | 29.3 | Very low | 30.1 | Very low | 88 Ų | 88 | 136.2 Ų | 136.2 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | trans | 67.5 | 124.8 | 135.5 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 49 | Q | 28.6 | Very low | 30.3 | Very low | 200 Ų | 200 | 138.9 Ų | 138.9 | 94% | 0.935 | 78% | 0.776 | S | S | * | * | -147.8 | 146.8 | 108.8 | -109.8 | -179.7 | 15.9 | 0 | 0 | 112.2 | |||||
| 50 | L | 28.8 | Very low | 30.5 | Very low | 170 Ų | 170 | 144 Ų | 144 | 89% | 0.89 | 78% | 0.779 | S | S | * | * | trans | -125.9 | 108.8 | -176.5 | -86.8 | 170 | 0 | 0 | 0 | 111.4 | ||||
| 51 | Q | 29.1 | Very low | 30.5 | Very low | 206 Ų | 206 | 141.5 Ų | 141.5 | 96% | 0.963 | 77% | 0.774 | S | S | * | * | trans | -154.2 | 137.3 | 157.6 | -62.1 | -169.6 | 1.3 | 0 | 0 | 108.1 | ||||
| 52 | G | 26.3 | Very low | 30.4 | Very low | 80 Ų | 80 | 139.5 Ų | 139.5 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | cis | -168.8 | 144.8 | -11.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 53 | R | 30.9 | Very low | 30.6 | Very low | 227 Ų | 227 | 138.3 Ų | 138.3 | 86% | 0.857 | 77% | 0.77 | S | S | * | * | trans | -94.2 | 160 | 173.8 | -141.3 | -170.9 | 177 | -175 | 0.8 | 108.9 | ||||
| 54 | P | 40.4 | Very low | 30.9 | Very low | 109 Ų | 109 | 139.2 Ų | 139.2 | 71% | 0.708 | 78% | 0.778 | S | S | * | * | -154.9 | 152 | 82.5 | 38.7 | -19.4 | 0 | 0 | 0 | 118.1 | |||||
| 55 | L | 27.4 | Very low | 30.6 | Very low | 132 Ų | 132 | 141.3 Ų | 141.3 | 69% | 0.691 | 78% | 0.778 | S | S | * | * | trans | 58.7 | 158.4 | 141.1 | -62.7 | 170.4 | 0 | 0 | 0 | 119.9 | ||||
| 56 | S | 28.4 | Very low | 30.5 | Very low | 77 Ų | 77 | 144 Ų | 144 | 54% | 0.538 | 79% | 0.788 | S | S | . | * | cis | -142.5 | 145.8 | 21.5 | -122.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 57 | Q | 31.7 | Very low | 30.4 | Very low | 167 Ų | 167 | 147 Ų | 147 | 78% | 0.78 | 79% | 0.791 | S | S | * | * | 64 | 140.2 | 105.3 | -65.1 | 171.5 | -16.9 | 0 | 0 | 115.1 | |||||
| 58 | K | 28 | Very low | 30.7 | Very low | 160 Ų | 160 | 149.2 Ų | 149.2 | 70% | 0.696 | 80% | 0.796 | S | S | * | * | cis | -159 | -171.1 | 2 | -143.1 | -179.6 | 158.2 | -149.2 | 0 | 106.3 | ||||
| 59 | E | 30.7 | Very low | 30.9 | Very low | 136 Ų | 136 | 153.5 Ų | 153.5 | 64% | 0.636 | 81% | 0.806 | S | S | * | * | cis | -159.8 | 119.7 | 0.3 | -168.3 | 155.7 | -170.4 | 0 | 0 | 106.4 | ||||
| 60 | E | 30 | Very low | 31 | Very low | 182 Ų | 182 | 153.2 Ų | 153.2 | 85% | 0.85 | 81% | 0.805 | S | S | * | * | 56.2 | 103.1 | 94.7 | -159.7 | 179.6 | 145.9 | 0 | 0 | 118.1 | |||||
| 61 | A | 28 | Very low | 31.3 | Very low | 95 Ų | 95 | 151.9 Ų | 151.9 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | trans | -170.7 | 113.8 | 151.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 62 | A | 28.2 | Very low | 31.4 | Very low | 102 Ų | 102 | 153.6 Ų | 153.6 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | 79.5 | 114.4 | 76.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 63 | L | 30.7 | Very low | 32 | Very low | 146 Ų | 146 | 159.8 Ų | 159.8 | 76% | 0.764 | 79% | 0.792 | S | S | * | * | trans | -82.1 | 166.3 | 174.1 | -64.5 | 169.7 | 0 | 0 | 0 | 111.3 | ||||
| 64 | P | 34.5 | Very low | 32.7 | Very low | 128 Ų | 128 | 160.4 Ų | 160.4 | 83% | 0.831 | 79% | 0.794 | S | S | * | * | -138.6 | 152.3 | 92.7 | 38.2 | -26.8 | 0 | 0 | 0 | 115.3 | |||||
| 65 | E | 32.3 | Very low | 32.7 | Very low | 157 Ų | 157 | 161.2 Ų | 161.2 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | trans | -91.6 | 120.3 | 164.9 | -62.4 | 166 | 84 | 0 | 0 | 110.5 | ||||
| 66 | Q | 31.8 | Very low | 33.5 | Very low | 191 Ų | 191 | 167.1 Ų | 167.1 | 89% | 0.893 | 81% | 0.813 | S | S | * | * | trans | -174.9 | 172.4 | 152.2 | -109 | 148.8 | 83.1 | 0 | 0 | 112.6 | ||||
| 67 | E | 35.2 | Very low | 34 | Very low | 192 Ų | 192 | 168.1 Ų | 168.1 | 90% | 0.897 | 83% | 0.825 | S | S | * | * | S | Bend | trans | 72.2 | 55.7 | 170 | -55.8 | -161.9 | 101.4 | 0 | 0 | 120.2 | ||
| 68 | E | 33.8 | Very low | 34.8 | Very low | 189 Ų | 189 | 170.8 Ų | 170.8 | 88% | 0.883 | 83% | 0.828 | S | S | * | * | S | Bend | trans | -150.3 | 29.2 | 148.7 | -137.1 | -171.3 | 136.1 | 0 | 0 | 117.3 | ||
| 69 | L | 34.8 | Very low | 35.3 | Very low | 178 Ų | 178 | 168.9 Ų | 168.9 | 93% | 0.932 | 84% | 0.835 | S | S | * | * | S | Bend | trans | -137 | 45.2 | 177.7 | -77.2 | 179.8 | 0 | 0 | 0 | 115.2 | ||
| 70 | Q | 31.1 | Very low | 36.1 | Very low | 194 Ų | 194 | 170.7 Ų | 170.7 | 91% | 0.907 | 84% | 0.841 | S | S | * | * | trans | -144.2 | 71.6 | 171 | -73.6 | -162.2 | 64.6 | 0 | 0 | 115.1 | ||||
| 71 | E | 34.2 | Very low | 37.4 | Very low | 141 Ų | 141 | 167.7 Ų | 167.7 | 66% | 0.659 | 84% | 0.84 | S | S | * | * | trans | -164.5 | 112.4 | 134.2 | -117.8 | -175.5 | 170.7 | 0 | 0 | 114 | R73 | E71-R73 IonicContact OE1-CZ 3.97Å; E71-R73 IonicContact OE1-NH2 3.21Å; E71-R73 PolarHBondContact OE1-NH2 3.01Å | ||
| 72 | Y | 31.5 | Very low | 38.5 | Very low | 243 Ų | 243 | 169.9 Ų | 169.9 | 95% | 0.953 | 84% | 0.838 | S | S | * | * | trans | -164.9 | 134.8 | 135.7 | -93.4 | -62.3 | 0 | 0 | 0 | 108.5 | ||||
| 73 | R | 38.2 | Very low | 39.8 | Very low | 210 Ų | 210 | 168.4 Ų | 168.4 | 79% | 0.792 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 144 | -165.3 | -67.1 | -179.5 | -172.6 | 149.1 | 13.2 | 113.8 | E71 | E71-R73 IonicContact OE1-CZ 3.97Å; E71-R73 IonicContact OE1-NH2 3.21Å; E71-R73 PolarHBondContact OE1-NH2 3.01Å |
| 74 | R | 45.6 | Very low | 41.1 | Very low | 240 Ų | 240 | 167 Ų | 167 | 91% | 0.906 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 147.9 | 175.8 | -59.3 | 172.3 | 177.7 | 159.9 | -3 | 113.3 | ||
| 75 | P | 40.6 | Very low | 42.4 | Very low | 126 Ų | 126 | 164.4 Ų | 164.4 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 155.9 | 136.8 | -15.7 | 32.4 | 0 | 0 | 0 | 112.1 | ||
| 76 | R | 43.8 | Very low | 43.7 | Very low | 256 Ų | 256 | 160.1 Ų | 160.1 | 97% | 0.966 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 125.6 | 175.2 | -84.6 | 174 | 161.9 | 157.5 | -7.1 | 111.5 | ||
| 77 | A | 40.1 | Very low | 45.4 | Very low | 98 Ų | 98 | 157.4 Ų | 157.4 | 81% | 0.81 | 78% | 0.784 | S | S | * | * | trans | -113.8 | 150.4 | 154.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | S79 | A77-S79 PolarHBondContact O-N 3.45Š| ||
| 78 | R | 47.3 | Very low | 46.7 | Very low | 223 Ų | 223 | 152.6 Ų | 152.6 | 84% | 0.842 | 76% | 0.764 | S | S | * | * | trans | -83.2 | 110.3 | 176.9 | -71 | -176.1 | -179.5 | 178 | 0.1 | 109.9 | F80 | R78-F80 HydrophobicContact CB-CE2 4.44Å; R78-F80 PolarHBondContact O-N 2.89Å | ||
| 79 | S | 39.2 | Very low | 48.1 | Very low | 120 Ų | 120 | 149.4 Ų | 149.4 | 84% | 0.839 | 75% | 0.749 | S | S | * | * | trans | -71.5 | 109.2 | 167.3 | 39.7 | 0 | 0 | 0 | 0 | 110.4 | A77 | A77-S79 PolarHBondContact O-N 3.45Š| ||
| 80 | F | 48.5 | Very low | 49.5 | Very low | 173 Ų | 173 | 143.3 Ų | 143.3 | 76% | 0.759 | 73% | 0.725 | S | S | * | * | trans | -85.8 | 114.6 | 159.3 | -74.7 | -88.2 | 0 | 0 | 0 | 107.8 | R78 L82 | R78-F80 HydrophobicContact CB-CE2 4.44Å; R78-F80 PolarHBondContact O-N 2.89Å; F80-L82 PolarHBondContact O-N 3.16Å | ||
| 81 | S | 56.3 | Low | 51.1 | Low | 119 Ų | 119 | 136.4 Ų | 136.4 | 83% | 0.832 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 122.4 | 169.7 | 33.4 | 0 | 0 | 0 | 0 | 109.7 | ||
| 82 | L | 50.4 | Low | 52.7 | Low | 142 Ų | 142 | 136.3 Ų | 136.3 | 74% | 0.743 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 152.2 | 169.4 | -63.7 | 177.4 | 0 | 0 | 0 | 110 | F80 | F80-L82 PolarHBondContact O-N 3.16Š|
| 83 | P | 56.8 | Low | 54.3 | Low | 70 Ų | 70 | 129.7 Ų | 129.7 | 46% | 0.455 | 68% | 0.679 | S | S | . | * | P | Polyproline II helix | trans | -57.9 | 154 | 168.8 | -22.1 | 33.9 | 0 | 0 | 0 | 111.6 | D85 | P83-D85 PolarHBondContact O-N 3.49Å; P83-D85 VanDerWaalsContact O-N 3.14Å |
| 84 | A | 57.8 | Low | 55.6 | Low | 116 Ų | 116 | 125 Ų | 125 | 96% | 0.959 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -61.2 | -23.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 85 | D | 61.3 | Low | 56.7 | Low | 74 Ų | 74 | 119.6 Ų | 119.6 | 40% | 0.396 | 65% | 0.654 | S | S | . | * | trans | -144.8 | 91.6 | 171.5 | -167.5 | -27.3 | 0 | 0 | 0 | 110.9 | P83 I87 L88 | P83-D85 PolarHBondContact O-N 3.49Å; P83-D85 VanDerWaalsContact O-N 3.14Å; D85-I87 VanDerWaalsContact C-N 3.29Å; D85-I87 PolarHBondContact O-N 2.78Å; D85-I87 PolarHBondContact OD1-N 3.45Å; D85-I87 VanDerWaalsContact OD1-N 3.12Å; D85-L88 HydrophobicContact CB-CB 4.4Å; D85-L88 PolarHBondContact OD1-N 2.77Å | ||
| 86 | P | 60.6 | Low | 57.7 | Low | 67 Ų | 67 | 120.7 Ų | 120.7 | 44% | 0.435 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -74 | -21.5 | -179.2 | 30.2 | -33.7 | 0 | 0 | 0 | 112.5 | A90 | P86-A90 WeakPolarHBondContact O-CB 3.28Å; P86-A90 PolarHBondContact O-N 3.1Å |
| 87 | I | 66.2 | Low | 58.3 | Low | 134 Ų | 134 | 117.3 Ų | 117.3 | 69% | 0.687 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -76.6 | -48.4 | -175.7 | -57.4 | 178.6 | 0 | 0 | 0 | 109.4 | D85 Q89 A90 A91 | D85-I87 VanDerWaalsContact C-N 3.29Å; D85-I87 PolarHBondContact O-N 2.78Å; D85-I87 PolarHBondContact OD1-N 3.45Å; D85-I87 VanDerWaalsContact OD1-N 3.12Å; I87-Q89 PolarHBondContact O-N 3.11Å; I87-A90 PolarHBondContact O-N 3.1Å; I87-A91 WeakPolarHBondContact O-CB 3.36Å; I87-A91 PolarHBondContact O-N 3.26Å |
| 88 | L | 61.8 | Low | 59.1 | Low | 92 Ų | 92 | 119.7 Ų | 119.7 | 48% | 0.482 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -61.6 | -33.4 | 175.3 | -112.6 | 172.1 | 0 | 0 | 0 | 112.3 | D85 K92 | D85-L88 HydrophobicContact CB-CB 4.4Å; D85-L88 PolarHBondContact OD1-N 2.77Å; L88-K92 WeakPolarHBondContact O-CG 3.48Å; L88-K92 PolarHBondContact O-N 3.11Å |
| 89 | Q | 64 | Low | 59.4 | Low | 121 Ų | 121 | 116.5 Ų | 116.5 | 57% | 0.565 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -72.8 | -38.4 | 177.6 | -160.7 | 170.4 | 11.1 | 0 | 0 | 112.1 | I87 L93 | I87-Q89 PolarHBondContact O-N 3.11Å; Q89-L93 PolarHBondContact O-N 3.15Å |
| 90 | A | 63.7 | Low | 60 | Low | 51 Ų | 51 | 115 Ų | 115 | 42% | 0.421 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -66.2 | -43.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | P86 I87 K92 L93 L94 | P86-A90 WeakPolarHBondContact O-CB 3.28Å; P86-A90 PolarHBondContact O-N 3.1Å; I87-A90 PolarHBondContact O-N 3.1Å; A90-K92 PolarHBondContact O-N 3.25Å; A90-L93 PolarHBondContact O-N 2.93Å; A90-L93 VanDerWaalsContact O-N 3.17Å; A90-L94 PolarHBondContact O-N 2.76Å |
| 91 | A | 66 | Low | 59.9 | Low | 49 Ų | 49 | 109.3 Ų | 109.3 | 41% | 0.405 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -58.4 | -47.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | I87 L93 L94 Q95 | I87-A91 WeakPolarHBondContact O-CB 3.36Å; I87-A91 PolarHBondContact O-N 3.26Å; A91-L93 VanDerWaalsContact C-N 3.29Å; A91-L93 PolarHBondContact O-N 2.81Å; A91-L94 PolarHBondContact O-N 3.14Å; A91-Q95 WeakPolarHBondContact O-CB 3.46Å; A91-Q95 PolarHBondContact O-N 2.76Å |
| 92 | K | 67 | Low | 59.2 | Low | 138 Ų | 138 | 112.6 Ų | 112.6 | 60% | 0.6 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -59.6 | -38.4 | 175.8 | -74.3 | 172.7 | 179.6 | 174 | 0 | 112.6 | L88 A90 Q96 | L88-K92 WeakPolarHBondContact O-CG 3.48Å; L88-K92 PolarHBondContact O-N 3.11Å; A90-K92 PolarHBondContact O-N 3.25Å; K92-Q96 WeakPolarHBondContact O-CB 3.41Å; K92-Q96 PolarHBondContact O-N 2.71Å |
| 93 | L | 64.9 | Low | 58.9 | Low | 105 Ų | 105 | 111.9 Ų | 111.9 | 55% | 0.55 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -71.1 | -35.8 | 179.5 | -161 | 151.7 | 0 | 0 | 0 | 111.9 | Q89 A90 A91 R97 | Q89-L93 PolarHBondContact O-N 3.15Å; A90-L93 PolarHBondContact O-N 2.93Å; A90-L93 VanDerWaalsContact O-N 3.17Å; A91-L93 VanDerWaalsContact C-N 3.29Å; A91-L93 PolarHBondContact O-N 2.81Å; L93-R97 WeakPolarHBondContact O-CG 3.32Å; L93-R97 PolarHBondContact O-N 2.82Å |
| 94 | L | 66 | Low | 57.9 | Low | 111 Ų | 111 | 112.2 Ų | 112.2 | 58% | 0.581 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -67.3 | -46.9 | 172.2 | -70.5 | 170.2 | 0 | 0 | 0 | 112 | A90 A91 Q96 R97 Q98 | A90-L94 PolarHBondContact O-N 2.76Å; A91-L94 PolarHBondContact O-N 3.14Å; L94-Q96 VanDerWaalsContact C-N 3.34Å; L94-Q96 PolarHBondContact O-N 2.73Å; L94-R97 WeakPolarHBondContact O-CB 3.39Å; L94-R97 PolarHBondContact O-N 2.94Å; L94-Q98 PolarHBondContact O-N 3.33Å; L94-Q98 VanDerWaalsContact O-N 3.11Å |
| 95 | Q | 67.9 | Low | 57.1 | Low | 127 Ų | 127 | 111.3 Ų | 111.3 | 59% | 0.593 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -61.7 | -40.8 | 179.8 | -165.9 | 174.7 | 21.3 | 0 | 0 | 112.1 | A91 R97 Q98 L99 | A91-Q95 WeakPolarHBondContact O-CB 3.46Å; A91-Q95 PolarHBondContact O-N 2.76Å; Q95-R97 PolarHBondContact O-N 2.84Å; Q95-Q98 PolarHBondContact O-N 3.45Å; Q95-L99 PolarHBondContact O-N 2.73Å |
| 96 | Q | 61.8 | Low | 56 | Low | 149 Ų | 149 | 117.2 Ų | 117.2 | 70% | 0.696 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -64.6 | -23.4 | 174.7 | -170.5 | 172.6 | 88.5 | 0 | 0 | 113.1 | K92 L94 | K92-Q96 WeakPolarHBondContact O-CB 3.41Å; K92-Q96 PolarHBondContact O-N 2.71Å; L94-Q96 VanDerWaalsContact C-N 3.34Å; L94-Q96 PolarHBondContact O-N 2.73Å |
| 97 | R | 56.7 | Low | 54.9 | Low | 185 Ų | 185 | 118 Ų | 118 | 70% | 0.698 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -84.8 | -28 | 174.2 | -71.1 | -173.4 | 70 | 143.2 | 4.2 | 113.8 | L93 L94 Q95 A100 | L93-R97 WeakPolarHBondContact O-CG 3.32Å; L93-R97 PolarHBondContact O-N 2.82Å; L94-R97 WeakPolarHBondContact O-CB 3.39Å; L94-R97 PolarHBondContact O-N 2.94Å; Q95-R97 PolarHBondContact O-N 2.84Å; R97-A100 PolarHBondContact O-N 2.86Å |
| 98 | Q | 57.3 | Low | 53.5 | Low | 147 Ų | 147 | 115.1 Ų | 115.1 | 69% | 0.687 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -66.4 | -40.1 | 173 | -68.8 | 176.7 | -3.8 | 0 | 0 | 111.3 | L94 Q95 A100 G101 | L94-Q98 PolarHBondContact O-N 3.33Å; L94-Q98 VanDerWaalsContact O-N 3.11Å; Q95-Q98 PolarHBondContact O-N 3.45Å; Q98-A100 PolarHBondContact O-N 2.83Å; Q98-A100 VanDerWaalsContact O-N 3.12Å; Q98-G101 PolarHBondContact O-N 3.02Å |
| 99 | L | 52.5 | Low | 52.5 | Low | 157 Ų | 157 | 119.6 Ų | 119.6 | 82% | 0.822 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61 | -15.5 | 171.7 | -81.6 | 161.7 | 0 | 0 | 0 | 114.5 | Q95 | Q95-L99 PolarHBondContact O-N 2.73Š|
| 100 | A | 51.6 | Low | 52.2 | Low | 87 Ų | 87 | 119.3 Ų | 119.3 | 72% | 0.719 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.3 | 11.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | R97 Q98 | R97-A100 PolarHBondContact O-N 2.86Å; Q98-A100 PolarHBondContact O-N 2.83Å; Q98-A100 VanDerWaalsContact O-N 3.12Å |
| 101 | G | 47.5 | Very low | 50.9 | Low | 54 Ų | 54 | 121.8 Ų | 121.8 | 56% | 0.557 | 73% | 0.725 | S | S | * | * | trans | -156.7 | 81.3 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q98 | Q98-G101 PolarHBondContact O-N 3.02Š| ||
| 102 | Q | 41.2 | Very low | 50.1 | Low | 188 Ų | 188 | 130.3 Ų | 130.3 | 88% | 0.879 | 75% | 0.747 | S | S | * | * | trans | -112.3 | 140.2 | 147.5 | -65 | -171.9 | 5 | 0 | 0 | 107.6 | ||||
| 103 | P | 45.2 | Very low | 49.3 | Very low | 127 Ų | 127 | 130.1 Ų | 130.1 | 83% | 0.825 | 75% | 0.752 | S | S | * | * | -143.8 | 167.1 | 94.2 | 40.4 | -28 | 0 | 0 | 0 | 114.6 | |||||
| 104 | G | 34.2 | Very low | 48.3 | Very low | 77 Ų | 77 | 130.3 Ų | 130.3 | 79% | 0.794 | 76% | 0.761 | S | S | * | * | trans | 72.4 | 120.8 | 135.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 105 | A | 42.1 | Very low | 47.6 | Very low | 98 Ų | 98 | 130.2 Ų | 130.2 | 81% | 0.81 | 77% | 0.768 | S | S | * | * | trans | -83.8 | -173.3 | 161 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 106 | E | 38.5 | Very low | 46.8 | Very low | 198 Ų | 198 | 128.3 Ų | 128.3 | 93% | 0.925 | 77% | 0.774 | S | S | * | * | trans | 74.3 | 152.6 | -177.4 | -52.5 | -87.8 | 68 | 0 | 0 | 113.9 | ||||
| 107 | G | 36.2 | Very low | 46.5 | Very low | 82 Ų | 82 | 130.5 Ų | 130.5 | 85% | 0.845 | 78% | 0.781 | S | S | * | * | trans | -152.2 | -179 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 108 | G | 36.4 | Very low | 46.2 | Very low | 74 Ų | 74 | 127.5 Ų | 127.5 | 76% | 0.763 | 79% | 0.788 | S | S | * | * | trans | 139 | 120.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 109 | E | 40.8 | Very low | 46.4 | Very low | 186 Ų | 186 | 129.8 Ų | 129.8 | 87% | 0.869 | 80% | 0.795 | S | S | * | * | trans | 62.6 | 149.8 | 161.9 | -71.2 | -69.2 | 87.2 | 0 | 0 | 121.1 | ||||
| 110 | P | 58 | Low | 46.8 | Very low | 116 Ų | 116 | 132.2 Ų | 132.2 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | trans | -99.1 | 118.8 | -174.1 | 36.2 | -31.5 | 0 | 0 | 0 | 113.9 | ||||
| 111 | A | 36.6 | Very low | 47.4 | Very low | 103 Ų | 103 | 138.2 Ų | 138.2 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | trans | -105.7 | 137.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 112 | R | 49.4 | Very low | 48.1 | Very low | 228 Ų | 228 | 141.2 Ų | 141.2 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | trans | -73.1 | 161.3 | 161.3 | -54.6 | 178.4 | -179.1 | 166.9 | -0.3 | 108.6 | ||||
| 113 | D | 50 | Low | 49.2 | Very low | 134 Ų | 134 | 137.8 Ų | 137.8 | 72% | 0.717 | 79% | 0.794 | S | S | * | * | cis | -163.3 | 177.3 | 22 | -139.6 | -39.1 | 0 | 0 | 0 | 112.6 | ||||
| 114 | C | 45.2 | Very low | 50 | Low | 109 Ų | 109 | 140.5 Ų | 140.5 | 74% | 0.736 | 79% | 0.794 | S | S | * | * | trans | 69.4 | 147.2 | 153 | -81 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 115 | C | 49.8 | Very low | 51.3 | Low | 108 Ų | 108 | 138.4 Ų | 138.4 | 73% | 0.73 | 77% | 0.769 | S | S | * | * | cis | -162.6 | 167.4 | -18.4 | -149 | 0 | 0 | 0 | 0 | 114.9 | K117 | C115-K117 PolarHBondContact O-N 3.49Š| ||
| 116 | A | 51.8 | Low | 52 | Low | 88 Ų | 88 | 137 Ų | 137 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | S | Bend | trans | 63.3 | -12.1 | 145.2 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||
| 117 | K | 55.5 | Low | 53 | Low | 194 Ų | 194 | 133.7 Ų | 133.7 | 84% | 0.843 | 75% | 0.746 | S | S | * | * | trans | -129.9 | 65.4 | 174 | -70.7 | -174.7 | -177.4 | 174.6 | 0 | 112.9 | C115 K119 | C115-K117 PolarHBondContact O-N 3.49Å; K117-K119 PolarHBondContact O-N 2.82Å | ||
| 118 | C | 50 | Low | 54.4 | Low | 123 Ų | 123 | 136.4 Ų | 136.4 | 83% | 0.831 | 74% | 0.741 | S | S | * | * | trans | -60.9 | 95.2 | -175.8 | -56.6 | 0 | 0 | 0 | 0 | 112.9 | K120 | C118-K120 PolarHBondContact O-N 2.97Š| ||
| 119 | K | 61.1 | Low | 55.7 | Low | 195 Ų | 195 | 133.9 Ų | 133.9 | 85% | 0.848 | 72% | 0.715 | S | S | * | * | trans | -56.7 | 121.8 | 161.3 | -68.3 | 179.4 | 179.7 | 176.7 | 0 | 107.7 | K117 R121 | K117-K119 PolarHBondContact O-N 2.82Å; K119-R121 PolarHBondContact O-N 2.57Å | ||
| 120 | K | 61.8 | Low | 57.1 | Low | 208 Ų | 208 | 130 Ų | 130 | 90% | 0.904 | 70% | 0.7 | S | S | * | * | trans | -55.7 | 108.4 | -178.2 | -66 | -179 | 179.8 | -179.4 | 0 | 109.9 | C118 | C118-K120 PolarHBondContact O-N 2.97Š| ||
| 121 | R | 64.8 | Low | 57.5 | Low | 212 Ų | 212 | 129.3 Ų | 129.3 | 80% | 0.8 | 70% | 0.698 | S | S | * | * | trans | -93 | 128.6 | 169.4 | -76.5 | -177.9 | 61.5 | -176.3 | -4 | 108.5 | K119 | K119-R121 PolarHBondContact O-N 2.57Š| ||
| 122 | V | 61.3 | Low | 59 | Low | 117 Ų | 117 | 131.5 Ų | 131.5 | 71% | 0.709 | 69% | 0.694 | S | S | * | * | trans | -121.2 | 125.6 | 168.4 | 179.8 | 0 | 0 | 0 | 0 | 105.8 | F124 | V122-F124 HydrophobicContact CG1-CD2 3.6Å; V122-F124 HydrophobicContact CG1-CE2 3.55Å | ||
| 123 | Q | 63.7 | Low | 59.9 | Low | 116 Ų | 116 | 123.7 Ų | 123.7 | 54% | 0.542 | 68% | 0.678 | S | S | . | * | trans | -139.4 | 114.9 | 178.6 | -179.2 | 170.2 | -8.5 | 0 | 0 | 107.2 | G129 | Q123-G129 PolarHBondContact NE2-O 2.78Š| ||
| 124 | F | 61.8 | Low | 61.1 | Low | 184 Ų | 184 | 123.1 Ų | 123.1 | 81% | 0.807 | 69% | 0.685 | S | S | * | * | trans | -141.3 | 130.8 | 174.6 | -65.7 | -64.7 | 0 | 0 | 0 | 107 | V122 | V122-F124 HydrophobicContact CG1-CD2 3.6Å; V122-F124 HydrophobicContact CG1-CE2 3.55Å | ||
| 125 | A | 61.7 | Low | 62.7 | Low | 34 Ų | 34 | 123.1 Ų | 123.1 | 28% | 0.281 | 68% | 0.681 | S | S | . | * | S | Bend | trans | -155.8 | -50.3 | 167.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | L130 L132 | A125-L130 WeakPolarHBondContact CB-O 3.47Å; A125-L132 HydrophobicContact CB-CG 4.39Å; A125-L132 VanDerWaalsContact O-CD2 3.29Å; A125-L132 WeakPolarHBondContact O-CD2 3.46Å; A125-L132 WeakPolarHBondContact O-CG 3.21Å |
| 126 | D | 57.7 | Low | 64.1 | Low | 69 Ų | 69 | 122.8 Ų | 122.8 | 37% | 0.369 | 67% | 0.667 | S | S | . | * | S | Bend | trans | -130.4 | -167.2 | 152.2 | 69.9 | -4.8 | 0 | 0 | 0 | 110.1 | L128 G129 L130 | D126-L128 PolarHBondContact O-N 3.16Å; D126-L128 VanDerWaalsContact OD1-C 3.31Å; D126-L128 WeakPolarHBondContact OD1-CA 3.4Å; D126-L128 PolarHBondContact OD1-N 3.04Å; D126-G129 PolarHBondContact O-N 3.12Å; D126-G129 PolarHBondContact OD1-N 2.88Å; D126-L130 PolarHBondContact OD1-N 2.88Å |
| 127 | S | 59.5 | Low | 65.4 | Low | 127 Ų | 127 | 126 Ų | 126 | 89% | 0.888 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | -6.1 | 175.5 | 47.2 | 0 | 0 | 0 | 0 | 114.6 | ||
| 128 | L | 65.3 | Low | 66.6 | Low | 139 Ų | 139 | 124.3 Ų | 124.3 | 73% | 0.728 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.5 | -10.1 | 175.4 | -57.6 | 178.2 | 0 | 0 | 0 | 112.2 | D126 L130 | D126-L128 PolarHBondContact O-N 3.16Å; D126-L128 VanDerWaalsContact OD1-C 3.31Å; D126-L128 WeakPolarHBondContact OD1-CA 3.4Å; D126-L128 PolarHBondContact OD1-N 3.04Å; L128-L130 HydrophobicContact CB-CD1 4.2Å; L128-L130 HydrophobicContact CB-CG 4.09Å; L128-L130 HydrophobicContact CD1-CD1 4.35Å |
| 129 | G | 64.3 | Low | 68.1 | Low | 21 Ų | 21 | 121.7 Ų | 121.7 | 22% | 0.216 | 64% | 0.643 | C | S | . | * | trans | 87.3 | 19.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q123 D126 | Q123-G129 PolarHBondContact NE2-O 2.78Å; D126-G129 PolarHBondContact O-N 3.12Å; D126-G129 PolarHBondContact OD1-N 2.88Å | ||
| 130 | L | 69.8 | Low | 68.9 | Low | 106 Ų | 106 | 121 Ų | 121 | 56% | 0.555 | 65% | 0.649 | S | S | * | * | trans | -89.2 | 144 | -173.7 | -58 | 176.4 | 0 | 0 | 0 | 113.3 | A125 D126 L128 L132 | A125-L130 WeakPolarHBondContact CB-O 3.47Å; D126-L130 PolarHBondContact OD1-N 2.88Å; L128-L130 HydrophobicContact CB-CD1 4.2Å; L128-L130 HydrophobicContact CB-CG 4.09Å; L128-L130 HydrophobicContact CD1-CD1 4.35Å; L130-L132 PolarHBondContact O-N 2.87Å | ||
| 131 | S | 66.4 | Low | 69.9 | Low | 101 Ų | 101 | 116.8 Ų | 116.8 | 71% | 0.706 | 65% | 0.645 | S | S | * | * | trans | -59.3 | 126.8 | -177.2 | -174.1 | 0 | 0 | 0 | 0 | 113 | A133 | S131-A133 PolarHBondContact O-N 3.48Å; S131-A133 PolarHBondContact OG-O 2.83Å | ||
| 132 | L | 68.4 | Low | 70.7 | Confident | 149 Ų | 149 | 110.1 Ų | 110.1 | 78% | 0.78 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -64.7 | -15.9 | 177.4 | -76.9 | 170.2 | 0 | 0 | 0 | 114.6 | A125 L130 | A125-L132 HydrophobicContact CB-CG 4.39Å; A125-L132 VanDerWaalsContact O-CD2 3.29Å; A125-L132 WeakPolarHBondContact O-CD2 3.46Å; A125-L132 WeakPolarHBondContact O-CG 3.21Å; L130-L132 PolarHBondContact O-N 2.87Å |
| 133 | A | 67.8 | Low | 71.5 | Confident | 64 Ų | 64 | 112.2 Ų | 112.2 | 53% | 0.529 | 63% | 0.625 | S | S | . | * | trans | -140 | 145.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | S131 | S131-A133 PolarHBondContact O-N 3.48Å; S131-A133 PolarHBondContact OG-O 2.83Å | ||
| 134 | S | 76.2 | Confident | 72.2 | Confident | 122 Ų | 122 | 111.5 Ų | 111.5 | 85% | 0.853 | 63% | 0.631 | S | S | * | * | trans | -107.7 | 122.1 | 164.8 | -175.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 135 | V | 78.6 | Confident | 72.9 | Confident | 108 Ų | 108 | 110 Ų | 110 | 66% | 0.655 | 63% | 0.626 | S | S | * | * | trans | -109.6 | 95.8 | 179.8 | -177.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 136 | K | 78 | Confident | 73.8 | Confident | 101 Ų | 101 | 111.5 Ų | 111.5 | 44% | 0.439 | 63% | 0.632 | S | S | . | * | trans | -81.3 | 124.1 | 166.4 | -176.9 | 172.9 | 179 | -169 | 0 | 109 | F138 E142 | K136-F138 HydrophobicContact CB-CE2 4.28Å; K136-F138 HydrophobicContact CD-CD1 4.3Å; K136-F138 HydrophobicContact CD-CE1 3.78Å; K136-F138 HydrophobicContact CD-CE2 4.22Å; K136-F138 HydrophobicContact CD-CZ 3.74Å; K136-F138 HydrophobicContact CG-CD2 4.4Å; K136-F138 HydrophobicContact CG-CE1 4.44Å; K136-F138 HydrophobicContact CG-CE2 4.11Å; K136-F138 HydrophobicContact CG-CZ 4.14Å; K136-E142 WeakPolarHBondContact CE-OE1 3.23Å; K136-E142 WeakPolarHBondContact CE-OE2 3.39Å; K136-E142 IonicContact NZ-OE1 3.2Å; K136-E142 PolarHBondContact NZ-OE1 3.41Å; K136-E142 IonicContact NZ-OE2 2.71Å; K136-E142 PolarHBondContact NZ-OE2 3.47Å | ||
| 137 | H | 79.4 | Confident | 75.1 | Confident | 157 Ų | 157 | 112 Ų | 112 | 73% | 0.727 | 64% | 0.639 | S | S | * | * | trans | -87.2 | 139.6 | 163 | -61.1 | 81.2 | 0 | 0 | 0 | 108 | ||||
| 138 | F | 81.3 | Confident | 76 | Confident | 157 Ų | 157 | 110.7 Ų | 110.7 | 69% | 0.689 | 63% | 0.627 | S | S | * | * | trans | -109.4 | 156.4 | 172.2 | -61.9 | -95.5 | 0 | 0 | 0 | 108.4 | K136 | K136-F138 HydrophobicContact CB-CE2 4.28Å; K136-F138 HydrophobicContact CD-CD1 4.3Å; K136-F138 HydrophobicContact CD-CE1 3.78Å; K136-F138 HydrophobicContact CD-CE2 4.22Å; K136-F138 HydrophobicContact CD-CZ 3.74Å; K136-F138 HydrophobicContact CG-CD2 4.4Å; K136-F138 HydrophobicContact CG-CE1 4.44Å; K136-F138 HydrophobicContact CG-CE2 4.11Å; K136-F138 HydrophobicContact CG-CZ 4.14Å | ||
| 139 | S | 80.9 | Confident | 76.5 | Confident | 69 Ų | 69 | 107.8 Ų | 107.8 | 48% | 0.483 | 62% | 0.623 | S | S | . | * | trans | -131.3 | 155.9 | 169.2 | 65.2 | 0 | 0 | 0 | 0 | 109.8 | S141 E142 | S139-S141 PolarHBondContact O-N 2.87Å; S139-E142 PolarHBondContact O-N 3.26Å | ||
| 140 | D | 78.4 | Confident | 77 | Confident | 180 Ų | 180 | 110.1 Ų | 110.1 | 96% | 0.963 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | -3.1 | 179.4 | -48.8 | -52.5 | 0 | 0 | 0 | 113.1 | ||
| 141 | S | 82.4 | Confident | 77.4 | Confident | 119 Ų | 119 | 107.9 Ų | 107.9 | 83% | 0.832 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.5 | -3.3 | 173.9 | -43.5 | 0 | 0 | 0 | 0 | 113.5 | S139 | S139-S141 PolarHBondContact O-N 2.87Š|
| 142 | E | 82.7 | Confident | 77.8 | Confident | 72 Ų | 72 | 106.7 Ų | 106.7 | 34% | 0.336 | 61% | 0.613 | S | S | . | * | S | Bend | trans | -91.6 | 108.5 | 176.7 | -166.5 | -167.4 | 173.9 | 0 | 0 | 110.3 | K136 S139 | K136-E142 WeakPolarHBondContact CE-OE1 3.23Å; K136-E142 WeakPolarHBondContact CE-OE2 3.39Å; K136-E142 IonicContact NZ-OE1 3.2Å; K136-E142 PolarHBondContact NZ-OE1 3.41Å; K136-E142 IonicContact NZ-OE2 2.71Å; K136-E142 PolarHBondContact NZ-OE2 3.47Å; S139-E142 PolarHBondContact O-N 3.26Å |
| 143 | E | 77.3 | Confident | 77.9 | Confident | 162 Ų | 162 | 108.3 Ų | 108.3 | 76% | 0.757 | 61% | 0.609 | S | S | * | * | trans | -64.5 | 127.1 | 178.5 | -165.6 | 174.6 | -164.3 | 0 | 0 | 110.9 | Q145 | E143-Q145 PolarHBondContact O-N 2.92Å; E143-Q145 PolarHBondContact O-NE2 3.27Å | ||
| 144 | P | 77.9 | Confident | 78.1 | Confident | 101 Ų | 101 | 110.9 Ų | 110.9 | 66% | 0.656 | 61% | 0.613 | S | S | * | * | trans | -63.8 | 120.5 | -168.2 | 23.2 | -34.1 | 0 | 0 | 0 | 111.8 | V146 | P144-V146 VanDerWaalsContact C-N 3.28Å; P144-V146 PolarHBondContact O-N 2.9Å | ||
| 145 | Q | 77.9 | Confident | 77.9 | Confident | 152 Ų | 152 | 114.3 Ų | 114.3 | 71% | 0.71 | 61% | 0.607 | S | S | * | * | trans | -72.8 | 79.3 | -180 | -61.3 | -58.4 | -67.9 | 0 | 0 | 111.3 | E143 P147 | E143-Q145 PolarHBondContact O-N 2.92Å; E143-Q145 PolarHBondContact O-NE2 3.27Å; Q145-P147 WeakPolarHBondContact O-CD 3.5Å | ||
| 146 | V | 79.9 | Confident | 77.3 | Confident | 65 Ų | 65 | 111.3 Ų | 111.3 | 39% | 0.394 | 59% | 0.591 | S | S | . | * | trans | -63.7 | 121.3 | 178.8 | -178 | 0 | 0 | 0 | 0 | 109.8 | P144 V150 L151 | P144-V146 VanDerWaalsContact C-N 3.28Å; P144-V146 PolarHBondContact O-N 2.9Å; V146-V150 HydrophobicContact CG1-CB 3.77Å; V146-V150 HydrophobicContact CG1-CG1 3.9Å; V146-L151 HydrophobicContact CB-CD2 4.18Å; V146-L151 HydrophobicContact CB-CG 4.29Å; V146-L151 HydrophobicContact CG1-CD2 3.77Å; V146-L151 HydrophobicContact CG1-CG 3.84Å | ||
| 147 | P | 84.4 | Confident | 76.3 | Confident | 79 Ų | 79 | 112.4 Ų | 112.4 | 51% | 0.513 | 60% | 0.596 | S | S | . | * | trans | -58.6 | 136.8 | 179.7 | -26.2 | 35.3 | 0 | 0 | 0 | 111.8 | Q145 A149 V150 | Q145-P147 WeakPolarHBondContact O-CD 3.5Å; P147-A149 PolarHBondContact O-N 3.34Å; P147-V150 HydrophobicContact CB-CG2 4.44Å; P147-V150 WeakPolarHBondContact O-CB 3.17Å; P147-V150 PolarHBondContact O-N 3.1Å | ||
| 148 | P | 78.3 | Confident | 75.1 | Confident | 101 Ų | 101 | 111.3 Ų | 111.3 | 66% | 0.656 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -53.7 | -31.7 | -174.9 | -31 | 36.2 | 0 | 0 | 0 | 115 | V150 L151 S152 | P148-V150 VanDerWaalsContact C-N 3.27Å; P148-V150 PolarHBondContact O-N 2.61Å; P148-L151 PolarHBondContact O-N 2.67Å; P148-S152 PolarHBondContact O-N 2.7Å; P148-S152 PolarHBondContact O-OG 2.79Å |
| 149 | A | 76.5 | Confident | 74.1 | Confident | 77 Ų | 77 | 107.2 Ų | 107.2 | 64% | 0.636 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -59.6 | -33.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | P147 R153 | P147-A149 PolarHBondContact O-N 3.34Å; A149-R153 WeakPolarHBondContact O-CB 3.24Å; A149-R153 PolarHBondContact O-N 2.75Å |
| 150 | V | 75.4 | Confident | 73.3 | Confident | 71 Ų | 71 | 106.2 Ų | 106.2 | 43% | 0.43 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -71.8 | -44 | 175.7 | -178 | 0 | 0 | 0 | 0 | 110.1 | V146 P147 P148 S152 R153 L154 | V146-V150 HydrophobicContact CG1-CB 3.77Å; V146-V150 HydrophobicContact CG1-CG1 3.9Å; P147-V150 HydrophobicContact CB-CG2 4.44Å; P147-V150 WeakPolarHBondContact O-CB 3.17Å; P147-V150 PolarHBondContact O-N 3.1Å; P148-V150 VanDerWaalsContact C-N 3.27Å; P148-V150 PolarHBondContact O-N 2.61Å; V150-S152 PolarHBondContact O-N 2.81Å; V150-R153 PolarHBondContact O-N 2.75Å; V150-L154 HydrophobicContact CG1-CD1 4.24Å; V150-L154 WeakPolarHBondContact O-CG 3.4Å; V150-L154 PolarHBondContact O-N 3.35Å |
| 151 | L | 78.1 | Confident | 72.4 | Confident | 59 Ų | 59 | 100.1 Ų | 100.1 | 31% | 0.309 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.7 | -39.1 | 176.4 | -62 | 178.4 | 0 | 0 | 0 | 112.1 | V146 P148 L154 R155 | V146-L151 HydrophobicContact CB-CD2 4.18Å; V146-L151 HydrophobicContact CB-CG 4.29Å; V146-L151 HydrophobicContact CG1-CD2 3.77Å; V146-L151 HydrophobicContact CG1-CG 3.84Å; P148-L151 PolarHBondContact O-N 2.67Å; L151-L154 PolarHBondContact O-N 3.02Å; L151-R155 WeakPolarHBondContact O-CB 3.19Å; L151-R155 VanDerWaalsContact O-CG 3.28Å; L151-R155 WeakPolarHBondContact O-CG 3.21Å; L151-R155 PolarHBondContact O-N 3.17Å |
| 152 | S | 74.6 | Confident | 71.4 | Confident | 75 Ų | 75 | 99.7 Ų | 99.7 | 52% | 0.524 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64 | -41.4 | 173.3 | -64.1 | 0 | 0 | 0 | 0 | 112 | P148 V150 R155 S156 | P148-S152 PolarHBondContact O-N 2.7Å; P148-S152 PolarHBondContact O-OG 2.79Å; V150-S152 PolarHBondContact O-N 2.81Å; S152-R155 CarbonylContact O-C 3.59Å; S152-R155 PolarHBondContact O-N 2.99Å; S152-S156 PolarHBondContact O-N 3.21Å |
| 153 | R | 70.2 | Confident | 70.4 | Confident | 183 Ų | 183 | 99.5 Ų | 99.5 | 69% | 0.691 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -69.8 | -30.5 | 177.1 | -171 | 176.9 | -179.2 | 114 | 1.5 | 113.2 | A149 V150 S156 F157 | A149-R153 WeakPolarHBondContact O-CB 3.24Å; A149-R153 PolarHBondContact O-N 2.75Å; V150-R153 PolarHBondContact O-N 2.75Å; R153-S156 PolarHBondContact O-OG 3.36Å; R153-F157 WeakPolarHBondContact O-CD2 3.43Å; R153-F157 WeakPolarHBondContact O-CE2 3.49Å |
| 154 | L | 71.8 | Confident | 69.7 | Low | 119 Ų | 119 | 97 Ų | 97 | 62% | 0.623 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -70.7 | -36 | 171.3 | -72.7 | 168.4 | 0 | 0 | 0 | 111.6 | V150 L151 S156 | V150-L154 HydrophobicContact CG1-CD1 4.24Å; V150-L154 WeakPolarHBondContact O-CG 3.4Å; V150-L154 PolarHBondContact O-N 3.35Å; L151-L154 PolarHBondContact O-N 3.02Å; L154-S156 VanDerWaalsContact C-N 3.34Å |
| 155 | R | 71.8 | Confident | 69 | Low | 194 Ų | 194 | 98.8 Ų | 98.8 | 73% | 0.732 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -79.1 | -11.3 | 177.6 | -70.6 | 171 | -178.9 | 143.4 | 1.2 | 114.3 | L151 S152 F157 | L151-R155 WeakPolarHBondContact O-CB 3.19Å; L151-R155 VanDerWaalsContact O-CG 3.28Å; L151-R155 WeakPolarHBondContact O-CG 3.21Å; L151-R155 PolarHBondContact O-N 3.17Å; S152-R155 CarbonylContact O-C 3.59Å; S152-R155 PolarHBondContact O-N 2.99Å; R155-F157 PolarHBondContact O-N 2.71Å |
| 156 | S | 65.1 | Low | 68.2 | Low | 45 Ų | 45 | 98.1 Ų | 98.1 | 32% | 0.315 | 53% | 0.527 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 26.8 | 173.2 | 71.7 | 0 | 0 | 0 | 0 | 113.1 | S152 R153 L154 L159 | S152-S156 PolarHBondContact O-N 3.21Å; R153-S156 PolarHBondContact O-OG 3.36Å; L154-S156 VanDerWaalsContact C-N 3.34Å; S156-L159 VanDerWaalsContact O-CD2 3.28Å; S156-L159 WeakPolarHBondContact O-CD2 3.4Å; S156-L159 WeakPolarHBondContact O-CG 3.21Å; S156-L159 PolarHBondContact O-N 2.85Å |
| 157 | F | 58.4 | Low | 67.2 | Low | 124 Ų | 124 | 98.8 Ų | 98.8 | 54% | 0.544 | 53% | 0.531 | S | S | . | . | trans | -119.3 | 134.8 | 170.8 | -77.7 | -84.9 | 0 | 0 | 0 | 110.2 | R153 R155 L159 | R153-F157 WeakPolarHBondContact O-CD2 3.43Å; R153-F157 WeakPolarHBondContact O-CE2 3.49Å; R155-F157 PolarHBondContact O-N 2.71Å; F157-L159 HydrophobicContact CD1-CD1 4.36Å; F157-L159 HydrophobicContact CD1-CG 4.11Å; F157-L159 HydrophobicContact CE1-CD1 3.62Å; F157-L159 HydrophobicContact CE1-CG 3.84Å; F157-L159 HydrophobicContact CZ-CD1 3.89Å; F157-L159 HydrophobicContact CZ-CG 4.2Å | ||
| 158 | P | 53.8 | Low | 66 | Low | 133 Ų | 133 | 96.9 Ų | 96.9 | 86% | 0.864 | 53% | 0.526 | S | S | * | . | S | Bend | cis | -66.2 | 139.4 | -2.2 | 29.2 | -35.5 | 0 | 0 | 0 | 112.5 | ||
| 159 | L | 60.1 | Low | 65 | Low | 72 Ų | 72 | 93.8 Ų | 93.8 | 38% | 0.377 | 51% | 0.512 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 138.3 | 177.1 | -76.7 | 164.1 | 0 | 0 | 0 | 109.9 | S156 F157 D163 | S156-L159 VanDerWaalsContact O-CD2 3.28Å; S156-L159 WeakPolarHBondContact O-CD2 3.4Å; S156-L159 WeakPolarHBondContact O-CG 3.21Å; S156-L159 PolarHBondContact O-N 2.85Å; F157-L159 HydrophobicContact CD1-CD1 4.36Å; F157-L159 HydrophobicContact CD1-CG 4.11Å; F157-L159 HydrophobicContact CE1-CD1 3.62Å; F157-L159 HydrophobicContact CE1-CG 3.84Å; F157-L159 HydrophobicContact CZ-CD1 3.89Å; F157-L159 HydrophobicContact CZ-CG 4.2Å; L159-D163 HydrophobicContact CD2-CB 4.22Å |
| 160 | S | 64.4 | Low | 64 | Low | 48 Ų | 48 | 95.7 Ų | 95.7 | 34% | 0.336 | 51% | 0.511 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 152.7 | 173.2 | -173.2 | 0 | 0 | 0 | 0 | 111.3 | E162 D163 L164 | S160-E162 PolarHBondContact O-N 2.94Å; S160-E162 PolarHBondContact OG-N 2.83Å; S160-E162 PolarHBondContact OG-OE2 2.86Å; S160-D163 WeakPolarHBondContact CB-OD2 3.44Å; S160-D163 PolarHBondContact N-OD2 2.79Å; S160-D163 PolarHBondContact O-N 2.81Å; S160-D163 VanDerWaalsContact O-N 3.1Å; S160-L164 PolarHBondContact O-N 3.02Å; S160-L164 VanDerWaalsContact O-N 3.12Å |
| 161 | A | 58.8 | Low | 62.9 | Low | 52 Ų | 52 | 98.3 Ų | 98.3 | 43% | 0.43 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59 | -26.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | K165 | A161-K165 VanDerWaalsContact O-CD 3.26Å; A161-K165 WeakPolarHBondContact O-CD 3.48Å; A161-K165 VanDerWaalsContact O-CE 3.23Å; A161-K165 WeakPolarHBondContact O-CE 3.39Å; A161-K165 WeakPolarHBondContact O-CG 3.3Å; A161-K165 PolarHBondContact O-N 3.37Å |
| 162 | E | 61.3 | Low | 61.6 | Low | 109 Ų | 109 | 99.1 Ų | 99.1 | 51% | 0.509 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -72.5 | -39.9 | 175 | -77.3 | 48.9 | -109.7 | 0 | 0 | 112 | S160 K165 Q166 | S160-E162 PolarHBondContact O-N 2.94Å; S160-E162 PolarHBondContact OG-N 2.83Å; S160-E162 PolarHBondContact OG-OE2 2.86Å; E162-K165 PolarHBondContact O-N 3.13Å; E162-K165 IonicContact OE1-NZ 3.2Å; E162-K165 PolarHBondContact OE1-NZ 3.01Å; E162-Q166 PolarHBondContact O-N 2.8Å |
| 163 | D | 62.8 | Low | 60.4 | Low | 68 Ų | 68 | 101.2 Ų | 101.2 | 36% | 0.364 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.4 | -41.4 | 177.2 | -57.5 | -42.5 | 0 | 0 | 0 | 110.7 | L159 S160 K165 Q166 V167 | L159-D163 HydrophobicContact CD2-CB 4.22Å; S160-D163 WeakPolarHBondContact CB-OD2 3.44Å; S160-D163 PolarHBondContact N-OD2 2.79Å; S160-D163 PolarHBondContact O-N 2.81Å; S160-D163 VanDerWaalsContact O-N 3.1Å; D163-K165 VanDerWaalsContact C-N 3.33Å; D163-K165 PolarHBondContact O-N 2.64Å; D163-Q166 PolarHBondContact O-N 2.85Å; D163-Q166 VanDerWaalsContact O-N 3.13Å; D163-V167 WeakPolarHBondContact O-CG2 3.25Å; D163-V167 PolarHBondContact O-N 3.45Å |
| 164 | L | 62.2 | Low | 59.2 | Low | 111 Ų | 111 | 95.7 Ų | 95.7 | 58% | 0.581 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -57.6 | -43.6 | 173.7 | -88.4 | 160.6 | 0 | 0 | 0 | 112.2 | S160 Q166 V167 G168 | S160-L164 PolarHBondContact O-N 3.02Å; S160-L164 VanDerWaalsContact O-N 3.12Å; L164-Q166 VanDerWaalsContact C-N 3.34Å; L164-V167 PolarHBondContact O-N 2.96Å; L164-G168 PolarHBondContact O-N 2.91Å |
| 165 | K | 62.8 | Low | 58 | Low | 137 Ų | 137 | 99 Ų | 99 | 60% | 0.596 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -63.4 | -40.1 | 174.8 | -66.7 | 158.6 | -161.2 | 168.6 | 0 | 111.3 | A161 E162 D163 G168 G169 | A161-K165 VanDerWaalsContact O-CD 3.26Å; A161-K165 WeakPolarHBondContact O-CD 3.48Å; A161-K165 VanDerWaalsContact O-CE 3.23Å; A161-K165 WeakPolarHBondContact O-CE 3.39Å; A161-K165 WeakPolarHBondContact O-CG 3.3Å; A161-K165 PolarHBondContact O-N 3.37Å; E162-K165 PolarHBondContact O-N 3.13Å; E162-K165 IonicContact OE1-NZ 3.2Å; E162-K165 PolarHBondContact OE1-NZ 3.01Å; D163-K165 VanDerWaalsContact C-N 3.33Å; D163-K165 PolarHBondContact O-N 2.64Å; K165-G168 PolarHBondContact O-N 3.21Å; K165-G169 PolarHBondContact O-N 2.91Å |
| 166 | Q | 60.7 | Low | 56.9 | Low | 139 Ų | 139 | 95.2 Ų | 95.2 | 65% | 0.65 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -70.9 | -37.1 | 179.6 | -166.1 | 171.5 | 84.5 | 0 | 0 | 112.7 | E162 D163 L164 G169 L170 | E162-Q166 PolarHBondContact O-N 2.8Å; D163-Q166 PolarHBondContact O-N 2.85Å; D163-Q166 VanDerWaalsContact O-N 3.13Å; L164-Q166 VanDerWaalsContact C-N 3.34Å; Q166-G169 PolarHBondContact O-N 3.2Å; Q166-L170 WeakPolarHBondContact O-CG 3.25Å; Q166-L170 PolarHBondContact O-N 2.74Å |
| 167 | V | 59.8 | Low | 56 | Low | 78 Ų | 78 | 98.4 Ų | 98.4 | 47% | 0.473 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -61.9 | -43.1 | 170.4 | 170.6 | 0 | 0 | 0 | 0 | 110.9 | D163 L164 G169 L170 L171 | D163-V167 WeakPolarHBondContact O-CG2 3.25Å; D163-V167 PolarHBondContact O-N 3.45Å; L164-V167 PolarHBondContact O-N 2.96Å; V167-G169 VanDerWaalsContact C-N 3.29Å; V167-G169 PolarHBondContact O-N 3.16Å; V167-L170 PolarHBondContact O-N 2.92Å; V167-L171 HydrophobicContact CG1-CD1 3.99Å; V167-L171 HydrophobicContact CG1-CG 4.49Å; V167-L171 WeakPolarHBondContact O-CG 3.5Å; V167-L171 PolarHBondContact O-N 2.86Å |
| 168 | G | 58.9 | Low | 55.5 | Low | 39 Ų | 39 | 95.9 Ų | 95.9 | 40% | 0.402 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -57.5 | -40.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L164 K165 L171 A172 | L164-G168 PolarHBondContact O-N 2.91Å; K165-G168 PolarHBondContact O-N 3.21Å; G168-L171 PolarHBondContact O-N 2.88Å; G168-A172 WeakPolarHBondContact O-CB 3.13Å; G168-A172 PolarHBondContact O-N 2.91Å |
| 169 | G | 56.9 | Low | 55.3 | Low | 36 Ų | 36 | 93.1 Ų | 93.1 | 37% | 0.371 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.7 | -44.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | K165 Q166 V167 A172 V173 | K165-G169 PolarHBondContact O-N 2.91Å; Q166-G169 PolarHBondContact O-N 3.2Å; V167-G169 VanDerWaalsContact C-N 3.29Å; V167-G169 PolarHBondContact O-N 3.16Å; G169-A172 PolarHBondContact O-N 3.29Å; G169-V173 WeakPolarHBondContact O-CG2 3.23Å; G169-V173 PolarHBondContact O-N 3.44Å |
| 170 | L | 56 | Low | 54.9 | Low | 117 Ų | 117 | 97.9 Ų | 97.9 | 61% | 0.613 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -64.9 | -39.2 | 177.4 | -70.8 | 168.4 | 0 | 0 | 0 | 112.1 | Q166 V167 A172 V173 A174 | Q166-L170 WeakPolarHBondContact O-CG 3.25Å; Q166-L170 PolarHBondContact O-N 2.74Å; V167-L170 PolarHBondContact O-N 2.92Å; L170-A172 VanDerWaalsContact C-N 3.33Å; L170-V173 PolarHBondContact O-N 2.78Å; L170-A174 PolarHBondContact O-N 3.39Å |
| 171 | L | 52.3 | Low | 54.2 | Low | 126 Ų | 126 | 107.2 Ų | 107.2 | 66% | 0.66 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -65.3 | -35 | 172.8 | -69.2 | 168.1 | 0 | 0 | 0 | 112.1 | V167 G168 A174 | V167-L171 HydrophobicContact CG1-CD1 3.99Å; V167-L171 HydrophobicContact CG1-CG 4.49Å; V167-L171 WeakPolarHBondContact O-CG 3.5Å; V167-L171 PolarHBondContact O-N 2.86Å; G168-L171 PolarHBondContact O-N 2.88Å; L171-A174 PolarHBondContact O-N 3.48Å |
| 172 | A | 51.8 | Low | 53.8 | Low | 76 Ų | 76 | 106.4 Ų | 106.4 | 63% | 0.628 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -72.4 | -26.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | G168 G169 L170 A174 | G168-A172 WeakPolarHBondContact O-CB 3.13Å; G168-A172 PolarHBondContact O-N 2.91Å; G169-A172 PolarHBondContact O-N 3.29Å; L170-A172 VanDerWaalsContact C-N 3.33Å; A172-A174 VanDerWaalsContact C-N 3.32Å |
| 173 | V | 48.8 | Very low | 53.5 | Low | 120 Ų | 120 | 104.4 Ų | 104.4 | 73% | 0.727 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -73.1 | -25.6 | 173.2 | 171.1 | 0 | 0 | 0 | 0 | 111.7 | G169 L170 K175 | G169-V173 WeakPolarHBondContact O-CG2 3.23Å; G169-V173 PolarHBondContact O-N 3.44Å; L170-V173 PolarHBondContact O-N 2.78Å; V173-K175 PolarHBondContact O-N 2.94Å |
| 174 | A | 45.8 | Very low | 53.6 | Low | 66 Ų | 66 | 109.6 Ų | 109.6 | 55% | 0.545 | 61% | 0.608 | S | S | . | * | trans | -72.8 | 62.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L170 L171 A172 V176 | L170-A174 PolarHBondContact O-N 3.39Å; L171-A174 PolarHBondContact O-N 3.48Å; A172-A174 VanDerWaalsContact C-N 3.32Å; A174-V176 PolarHBondContact O-N 2.86Å | ||
| 175 | K | 45.5 | Very low | 54.3 | Low | 190 Ų | 190 | 105.2 Ų | 105.2 | 83% | 0.826 | 59% | 0.588 | S | S | * | * | trans | -73.5 | 65.8 | 179.3 | -166.1 | 179.4 | -177.9 | 176.9 | 0 | 111.5 | V173 | V173-K175 PolarHBondContact O-N 2.94Š| ||
| 176 | V | 48.8 | Very low | 55.2 | Low | 113 Ų | 113 | 101.4 Ų | 101.4 | 69% | 0.685 | 57% | 0.573 | S | S | * | * | trans | -54 | 127.6 | 163.5 | -176.5 | 0 | 0 | 0 | 0 | 107.2 | A174 A178 | A174-V176 PolarHBondContact O-N 2.86Å; V176-A178 PolarHBondContact O-N 3.32Å | ||
| 177 | P | 45.7 | Very low | 56.5 | Low | 112 Ų | 112 | 95 Ų | 95 | 73% | 0.727 | 54% | 0.543 | S | S | * | . | trans | -62.7 | 114.6 | 174 | 26.4 | -32.6 | 0 | 0 | 0 | 107.6 | P179 | P177-P179 WeakPolarHBondContact O-CD 3.17Å; P177-P179 VanDerWaalsContact O-N 3.15Å | ||
| 178 | A | 49.3 | Very low | 57.8 | Low | 72 Ų | 72 | 95 Ų | 95 | 60% | 0.595 | 53% | 0.534 | S | S | * | . | trans | -57.3 | 122.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | V176 L180 | V176-A178 PolarHBondContact O-N 3.32Å; A178-L180 PolarHBondContact O-N 2.94Å | ||
| 179 | P | 47.9 | Very low | 59.4 | Low | 75 Ų | 75 | 96.1 Ų | 96.1 | 49% | 0.487 | 53% | 0.534 | S | S | . | . | trans | -61.5 | 109.6 | 174.8 | 23.6 | -32.1 | 0 | 0 | 0 | 108.3 | P177 W181 A182 | P177-P179 WeakPolarHBondContact O-CD 3.17Å; P177-P179 VanDerWaalsContact O-N 3.15Å; P179-W181 PolarHBondContact O-N 2.97Å; P179-W181 VanDerWaalsContact O-N 3.09Å; P179-A182 HydrophobicContact CB-CB 4.24Å; P179-A182 HydrophobicContact CG-CB 3.77Å; P179-A182 PolarHBondContact O-N 2.94Å | ||
| 180 | L | 52.4 | Low | 61.1 | Low | 172 Ų | 172 | 100.7 Ų | 100.7 | 90% | 0.901 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | 113.2 | 172.2 | -61 | 176.7 | 0 | 0 | 0 | 106.4 | A178 | A178-L180 PolarHBondContact O-N 2.94Š|
| 181 | W | 49 | Very low | 62.9 | Low | 244 Ų | 244 | 96.7 Ų | 96.7 | 92% | 0.924 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.5 | 45.9 | -173 | -144.4 | -67.8 | 0 | 0 | 0 | 116.7 | P179 | P179-W181 PolarHBondContact O-N 2.97Å; P179-W181 VanDerWaalsContact O-N 3.09Å |
| 182 | A | 51.7 | Low | 64.7 | Low | 35 Ų | 35 | 99.1 Ų | 99.1 | 29% | 0.289 | 53% | 0.53 | S | S | . | . | trans | -83.4 | 123 | 151.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | P179 R184 | P179-A182 HydrophobicContact CB-CB 4.24Å; P179-A182 HydrophobicContact CG-CB 3.77Å; P179-A182 PolarHBondContact O-N 2.94Å; A182-R184 PolarHBondContact O-N 3.1Å | ||
| 183 | P | 54 | Low | 66.5 | Low | 66 Ų | 66 | 98.7 Ų | 98.7 | 43% | 0.429 | 52% | 0.517 | S | S | . | . | trans | -63.4 | 104.4 | 173.7 | -22.2 | 34.4 | 0 | 0 | 0 | 110.9 | A185 S343 T344 | P183-A185 PolarHBondContact O-N 2.79Å; P183-S343 WeakPolarHBondContact CA-OG 3.47Å; P183-T344 HydrophobicContact CB-CG2 4.38Å; P183-T344 HydrophobicContact CG-CG2 4.46Å | ||
| 184 | R | 66.3 | Low | 68.3 | Low | 177 Ų | 177 | 94.5 Ų | 94.5 | 67% | 0.668 | 49% | 0.492 | S | S | * | . | trans | -73.3 | 123.4 | -178.2 | -76.4 | -176.6 | 165 | 175.6 | -6.2 | 110.3 | A182 Q186 | A182-R184 PolarHBondContact O-N 3.1Å; R184-Q186 PolarHBondContact O-N 2.66Å | ||
| 185 | A | 75.8 | Confident | 70.3 | Confident | 19 Ų | 19 | 93.8 Ų | 93.8 | 16% | 0.157 | 49% | 0.491 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 127.9 | 168 | 0 | 0 | 0 | 0 | 0 | 109.6 | P183 P301 Y340 V341 | P183-A185 PolarHBondContact O-N 2.79Å; A185-P301 HydrophobicContact CB-CB 4.04Å; A185-P301 HydrophobicContact CB-CG 3.71Å; A185-Y340 HydrophobicContact CB-CD1 4.17Å; A185-V341 WeakPolarHBondContact CA-O 3.34Å |
| 186 | Q | 82 | Confident | 72.3 | Confident | 57 Ų | 57 | 91.6 Ų | 91.6 | 27% | 0.266 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 126 | 177.1 | -176.9 | -177.9 | 17.5 | 0 | 0 | 109 | R184 R188 V341 | R184-Q186 PolarHBondContact O-N 2.66Å; Q186-R188 HydrophobicContact CG-CG 4.08Å; Q186-R188 PolarHBondContact O-N 2.86Å; Q186-R188 VanDerWaalsContact OE1-CZ 3.31Å; Q186-V341 PolarHBondContact N-O 3.22Å; Q186-V341 PolarHBondContact O-N 3.27Å |
| 187 | L | 87.1 | Confident | 74.2 | Confident | 5 Ų | 5 | 92.3 Ų | 92.3 | 3% | 0.026 | 49% | 0.487 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 128.8 | 168.3 | -171.2 | 69.9 | 0 | 0 | 0 | 109.6 | C215 V223 L295 I314 L338 Y340 | L187-C215 HydrophobicContact CB-CB 4.2Å; L187-C215 HydrophobicContact CD2-CB 4.34Å; L187-C215 HydrophobicContact CG-CB 4.34Å; L187-C215 VanDerWaalsContact O-CB 3.26Å; L187-C215 WeakPolarHBondContact O-CB 3.33Å; L187-V223 HydrophobicContact CD2-CG2 3.5Å; L187-V223 VanDerWaalsContact CD2-CG2 3.5Å; L187-L295 HydrophobicContact CD2-CD1 3.48Å; L187-L295 VanDerWaalsContact CD2-CD1 3.48Å; L187-I314 HydrophobicContact CD1-CD1 3.81Å; L187-I314 HydrophobicContact CD2-CD1 4.13Å; L187-L338 HydrophobicContact CD1-CB 3.82Å; L187-L338 HydrophobicContact CD2-CB 4.5Å; L187-L338 HydrophobicContact CD2-CD1 4.08Å; L187-L338 HydrophobicContact CG-CB 4.14Å; L187-Y340 HydrophobicContact CB-CD1 4.06Å; L187-Y340 HydrophobicContact CB-CE1 3.84Å; L187-Y340 HydrophobicContact CD1-CD1 4.36Å; L187-Y340 HydrophobicContact CD1-CD2 4Å; L187-Y340 HydrophobicContact CD1-CE1 4.3Å; L187-Y340 HydrophobicContact CD1-CE2 3.93Å; L187-Y340 HydrophobicContact CD1-CG 4.21Å |
| 188 | R | 88.8 | Confident | 76.3 | Confident | 77 Ų | 77 | 89.3 Ų | 89.3 | 29% | 0.291 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 148.7 | -179.7 | -66.4 | -173.9 | 177.8 | 176.3 | 1.8 | 111.3 | Q186 L338 R339 V341 | Q186-R188 HydrophobicContact CG-CG 4.08Å; Q186-R188 PolarHBondContact O-N 2.86Å; Q186-R188 VanDerWaalsContact OE1-CZ 3.31Å; R188-L338 WeakPolarHBondContact O-CA 3.37Å; R188-R339 PolarHBondContact N-O 3.04Å; R188-R339 PolarHBondContact O-N 3.19Å; R188-V341 HydrophobicContact CB-CG2 4.22Å; R188-V341 HydrophobicContact CG-CG2 4.34Å |
| 189 | P | 92.3 | Very high | 78.3 | Confident | 63 Ų | 63 | 86 Ų | 86 | 41% | 0.409 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 137.4 | 168.1 | 30 | -34.1 | 0 | 0 | 0 | 111 | F191 L338 | P189-F191 HydrophobicContact CB-CD1 4.07Å; P189-F191 HydrophobicContact CB-CE1 3.6Å; P189-F191 HydrophobicContact CB-CE2 4.1Å; P189-F191 HydrophobicContact CB-CZ 3.59Å; P189-L338 HydrophobicContact CB-CD2 4.01Å |
| 190 | F | 92.5 | Very high | 80.3 | Confident | 132 Ų | 132 | 85 Ų | 85 | 58% | 0.579 | 43% | 0.433 | S | S | * | . | trans | -116.4 | 41.3 | 178.8 | -142.1 | -99.1 | 0 | 0 | 0 | 110.6 | T337 | F190-T337 HydrophobicContact CB-CG2 4.38Å; F190-T337 PolarHBondContact N-O 2.79Å | ||
| 191 | F | 92.4 | Very high | 82.2 | Confident | 33 Ų | 33 | 80.6 Ų | 80.6 | 15% | 0.145 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -147.2 | 167.6 | 176.9 | 55.2 | -94.1 | 0 | 0 | 0 | 109.4 | P189 L193 V213 Y336 T337 L338 | P189-F191 HydrophobicContact CB-CD1 4.07Å; P189-F191 HydrophobicContact CB-CE1 3.6Å; P189-F191 HydrophobicContact CB-CE2 4.1Å; P189-F191 HydrophobicContact CB-CZ 3.59Å; F191-L193 HydrophobicContact CD2-CG 4.36Å; F191-L193 HydrophobicContact CE2-CD2 3.92Å; F191-L193 HydrophobicContact CE2-CG 3.9Å; F191-V213 HydrophobicContact CE2-CG2 4.39Å; F191-V213 HydrophobicContact CZ-CB 4.3Å; F191-V213 HydrophobicContact CZ-CG2 3.98Å; F191-Y336 HydrophobicContact CD1-CD1 4.1Å; F191-Y336 AromaticContact CD2-CD1 3.61Å; F191-Y336 HydrophobicContact CD2-CD1 3.61Å; F191-Y336 HydrophobicContact CD2-CE1 4.05Å; F191-Y336 HydrophobicContact CE1-CD1 4.03Å; F191-Y336 HydrophobicContact CE1-CG 4.45Å; F191-Y336 AromaticContact CE2-CD1 3.56Å; F191-Y336 HydrophobicContact CE2-CD1 3.56Å; F191-Y336 HydrophobicContact CE2-CE1 4.12Å; F191-Y336 AromaticContact CG-CD1 3.89Å; F191-Y336 HydrophobicContact CG-CD1 3.89Å; F191-Y336 AromaticContact CZ-CD1 3.78Å; F191-Y336 HydrophobicContact CZ-CD1 3.78Å; F191-Y336 HydrophobicContact CZ-CG 4.4Å; F191-T337 VanDerWaalsContact CD1-N 3.27Å; F191-T337 WeakPolarHBondContact CD1-O 3.43Å; F191-T337 WeakPolarHBondContact CE1-O 3.48Å; F191-L338 HydrophobicContact CE1-CD2 3.78Å; F191-L338 HydrophobicContact CZ-CD2 4.33Å |
| 192 | Q | 90.6 | Very high | 84.2 | Confident | 177 Ų | 177 | 69.6 Ų | 69.6 | 83% | 0.827 | 37% | 0.366 | S | S | * | . | P | Polyproline II helix | trans | -102.3 | 135.8 | 170.2 | -61.9 | 179.5 | 8.5 | 0 | 0 | 109 | ||
| 193 | L | 90.3 | Very high | 86.3 | Confident | 68 Ų | 68 | 67.9 Ų | 67.9 | 36% | 0.356 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -79.3 | 143.6 | 169.2 | -74.6 | 161.3 | 0 | 0 | 0 | 109 | F191 G195 L210 Y336 | F191-L193 HydrophobicContact CD2-CG 4.36Å; F191-L193 HydrophobicContact CE2-CD2 3.92Å; F191-L193 HydrophobicContact CE2-CG 3.9Å; L193-G195 PolarHBondContact O-N 2.95Å; L193-L210 HydrophobicContact CD2-CD2 4.31Å; L193-L210 HydrophobicContact CD2-CG 4.21Å; L193-Y336 HydrophobicContact CD2-CE1 4.48Å |
| 194 | P | 87 | Confident | 88.1 | Confident | 31 Ų | 31 | 67.1 Ų | 67.1 | 20% | 0.201 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 133.9 | 178.1 | 26.8 | -33.6 | 0 | 0 | 0 | 110.6 | A198 A199 | P194-A198 HydrophobicContact CB-CB 4.07Å; P194-A199 HydrophobicContact CB-CB 4.11Å; P194-A199 HydrophobicContact CG-CB 3.89Å |
| 195 | G | 87.6 | Confident | 89.3 | Confident | 51 Ų | 51 | 66.4 Ų | 66.4 | 53% | 0.526 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -63.6 | 155.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | L193 I197 A198 A199 | L193-G195 PolarHBondContact O-N 2.95Å; G195-I197 VanDerWaalsContact C-N 3.32Å; G195-I197 PolarHBondContact O-N 2.93Å; G195-A198 CarbonylContact O-C 3.59Å; G195-A198 WeakPolarHBondContact O-CA 3.41Å; G195-A198 WeakPolarHBondContact O-CB 3.44Å; G195-A198 PolarHBondContact O-N 2.81Å; G195-A199 PolarHBondContact O-N 3.14Å |
| 196 | L | 86.9 | Confident | 90.1 | Very high | 145 Ų | 145 | 68.7 Ų | 68.7 | 76% | 0.759 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -41.9 | -49.7 | -166.2 | -62.1 | 175.5 | 0 | 0 | 0 | 115.3 | A199 E200 | L196-A199 WeakPolarHBondContact O-CB 3.47Å; L196-A199 PolarHBondContact O-N 2.86Å; L196-E200 PolarHBondContact O-N 2.93Å |
| 197 | I | 88.6 | Confident | 90.8 | Very high | 128 Ų | 128 | 69.2 Ų | 69.2 | 66% | 0.656 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -63.9 | -46.9 | 179.8 | -57.9 | 173.4 | 0 | 0 | 0 | 111.2 | G195 A199 E200 E201 | G195-I197 VanDerWaalsContact C-N 3.32Å; G195-I197 PolarHBondContact O-N 2.93Å; I197-A199 VanDerWaalsContact C-N 3.3Å; I197-A199 PolarHBondContact O-N 2.92Å; I197-E200 PolarHBondContact O-N 3.06Å; I197-E201 WeakPolarHBondContact O-CG 3.38Å; I197-E201 PolarHBondContact O-N 3.45Å |
| 198 | A | 89.7 | Confident | 91.2 | Very high | 49 Ų | 49 | 69 Ų | 69 | 41% | 0.405 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -65.7 | -34.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | P194 G195 E201 R202 | P194-A198 HydrophobicContact CB-CB 4.07Å; G195-A198 CarbonylContact O-C 3.59Å; G195-A198 WeakPolarHBondContact O-CA 3.41Å; G195-A198 WeakPolarHBondContact O-CB 3.44Å; G195-A198 PolarHBondContact O-N 2.81Å; A198-E201 PolarHBondContact O-N 3.15Å; A198-R202 WeakPolarHBondContact O-CB 3.38Å; A198-R202 PolarHBondContact O-N 2.87Å |
| 199 | A | 90.5 | Very high | 91.6 | Very high | 3 Ų | 3 | 65.3 Ų | 65.3 | 3% | 0.025 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66 | -43.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | P194 G195 L196 I197 R202 L203 | P194-A199 HydrophobicContact CB-CB 4.11Å; P194-A199 HydrophobicContact CG-CB 3.89Å; G195-A199 PolarHBondContact O-N 3.14Å; L196-A199 WeakPolarHBondContact O-CB 3.47Å; L196-A199 PolarHBondContact O-N 2.86Å; I197-A199 VanDerWaalsContact C-N 3.3Å; I197-A199 PolarHBondContact O-N 2.92Å; A199-R202 PolarHBondContact O-N 2.92Å; A199-L203 VanDerWaalsContact O-CB 3.25Å; A199-L203 WeakPolarHBondContact O-CB 3.49Å; A199-L203 PolarHBondContact O-N 2.89Å |
| 200 | E | 91.3 | Very high | 91.8 | Very high | 54 Ų | 54 | 62.3 Ų | 62.3 | 25% | 0.252 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.3 | -44.2 | 173 | -76.1 | -169.1 | -146.7 | 0 | 0 | 112.9 | L196 I197 R202 L203 R204 L265 | L196-E200 PolarHBondContact O-N 2.93Å; I197-E200 PolarHBondContact O-N 3.06Å; E200-R202 VanDerWaalsContact C-N 3.34Å; E200-L203 PolarHBondContact O-N 2.84Å; E200-R204 WeakPolarHBondContact O-CG 3.26Å; E200-R204 PolarHBondContact O-N 2.89Å; E200-R204 IonicContact OE2-CZ 2.7Å; E200-R204 VanDerWaalsContact OE2-CZ 3.23Å; E200-R204 IonicContact OE2-NH1 3.23Å; E200-R204 PolarHBondContact OE2-NH1 2.72Å; E200-R204 IonicContact OE2-NH2 2.79Å; E200-R204 PolarHBondContact OE2-NH2 3.04Å; E200-L265 HydrophobicContact CG-CD2 4.07Å |
| 201 | E | 91.5 | Very high | 91.9 | Very high | 79 Ų | 79 | 58 Ų | 58 | 37% | 0.369 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.6 | -43.9 | 176.2 | -73.2 | -173.8 | -166.2 | 0 | 0 | 111.5 | I197 A198 L203 R204 R205 | I197-E201 WeakPolarHBondContact O-CG 3.38Å; I197-E201 PolarHBondContact O-N 3.45Å; A198-E201 PolarHBondContact O-N 3.15Å; E201-L203 VanDerWaalsContact C-N 3.35Å; E201-R204 PolarHBondContact O-N 3.28Å; E201-R205 WeakPolarHBondContact O-CB 3.33Å; E201-R205 WeakPolarHBondContact O-CG 3.42Å; E201-R205 PolarHBondContact O-N 2.84Å; E201-R205 IonicContact OE2-CZ 2.61Å; E201-R205 IonicContact OE2-NH1 3.18Å; E201-R205 PolarHBondContact OE2-NH1 2.97Å; E201-R205 IonicContact OE2-NH2 2.67Å; E201-R205 PolarHBondContact OE2-NH2 3.03Å |
| 202 | R | 92.4 | Very high | 91.9 | Very high | 12 Ų | 12 | 58.4 Ų | 58.4 | 5% | 0.045 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.9 | -45.1 | 175.4 | -177.1 | 178.7 | -173 | 106.3 | 25 | 110.8 | A198 A199 E200 R205 H206 C209 D329 E332 | A198-R202 WeakPolarHBondContact O-CB 3.38Å; A198-R202 PolarHBondContact O-N 2.87Å; A199-R202 PolarHBondContact O-N 2.92Å; E200-R202 VanDerWaalsContact C-N 3.34Å; R202-R205 PolarHBondContact O-N 3.18Å; R202-H206 WeakPolarHBondContact O-CB 3.3Å; R202-H206 PolarHBondContact O-CD2 2.96Å; R202-H206 PolarHBondContact O-N 3.5Å; R202-C209 HydrophobicContact CG-CB 4.5Å; R202-D329 IonicContact CZ-OD1 2.72Å; R202-D329 IonicContact CZ-OD2 2.95Å; R202-D329 IonicContact NE-OD1 3.8Å; R202-D329 PolarHBondContact NE-OD1 3.47Å; R202-D329 IonicContact NE-OD2 3.88Å; R202-D329 PolarHBondContact NE-OD2 2.98Å; R202-D329 IonicContact NH2-OD1 3.69Å; R202-D329 PolarHBondContact NH2-OD1 3.48Å; R202-E332 IonicContact NH1-OE1 2.9Å; R202-E332 PolarHBondContact NH1-OE1 3.23Å |
| 203 | L | 94.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61 | -43.7 | 175 | -176.9 | 56 | 0 | 0 | 0 | 112 | A199 E200 E201 R205 R207 C209 R228 I230 L265 T286 | A199-L203 VanDerWaalsContact O-CB 3.25Å; A199-L203 WeakPolarHBondContact O-CB 3.49Å; A199-L203 PolarHBondContact O-N 2.89Å; E200-L203 PolarHBondContact O-N 2.84Å; E201-L203 VanDerWaalsContact C-N 3.35Å; L203-R205 PolarHBondContact O-N 3.33Å; L203-R207 WeakPolarHBondContact O-CA 3.46Å; L203-R207 PolarHBondContact O-N 2.97Å; L203-C209 HydrophobicContact CB-CB 3.86Å; L203-C209 HydrophobicContact CD1-CB 4.2Å; L203-R228 HydrophobicContact CD1-CB 4.26Å; L203-R228 WeakPolarHBondContact CD1-O 3.35Å; L203-R228 HydrophobicContact CD2-CB 3.64Å; L203-I230 HydrophobicContact CD1-CG1 4.06Å; L203-I230 HydrophobicContact CG-CD1 4.37Å; L203-I230 HydrophobicContact CG-CG1 4.04Å; L203-I230 WeakPolarHBondContact O-CD1 3.48Å; L203-L265 HydrophobicContact CD2-CD1 4.42Å; L203-L265 HydrophobicContact CD2-CD2 4.4Å; L203-T286 HydrophobicContact CD2-CG2 3.83Å; L203-T286 HydrophobicContact CG-CG2 4.46Å |
| 204 | R | 92.1 | Very high | 92.2 | Very high | 49 Ų | 49 | 53.5 Ų | 53.5 | 19% | 0.185 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.8 | -37.5 | 175.2 | -70.9 | -176.5 | -172.3 | 96.3 | 1.8 | 112.6 | E200 E201 R207 L265 P266 L284 | E200-R204 WeakPolarHBondContact O-CG 3.26Å; E200-R204 PolarHBondContact O-N 2.89Å; E200-R204 IonicContact OE2-CZ 2.7Å; E200-R204 VanDerWaalsContact OE2-CZ 3.23Å; E200-R204 IonicContact OE2-NH1 3.23Å; E200-R204 PolarHBondContact OE2-NH1 2.72Å; E200-R204 IonicContact OE2-NH2 2.79Å; E200-R204 PolarHBondContact OE2-NH2 3.04Å; E201-R204 PolarHBondContact O-N 3.28Å; R204-R207 PolarHBondContact O-NH1 2.9Å; R204-L265 HydrophobicContact CG-CD1 4.13Å; R204-P266 PolarHBondContact NH2-O 3.46Å; R204-L284 HydrophobicContact CG-CD1 4.43Å |
| 205 | R | 92.1 | Very high | 92.3 | Very high | 162 Ų | 162 | 53.2 Ų | 53.2 | 61% | 0.611 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -75.4 | -49.1 | 178.3 | -71.5 | 172 | -173.1 | 125.8 | 13.6 | 113.4 | E201 R202 L203 | E201-R205 WeakPolarHBondContact O-CB 3.33Å; E201-R205 WeakPolarHBondContact O-CG 3.42Å; E201-R205 PolarHBondContact O-N 2.84Å; E201-R205 IonicContact OE2-CZ 2.61Å; E201-R205 IonicContact OE2-NH1 3.18Å; E201-R205 PolarHBondContact OE2-NH1 2.97Å; E201-R205 IonicContact OE2-NH2 2.67Å; E201-R205 PolarHBondContact OE2-NH2 3.03Å; R202-R205 PolarHBondContact O-N 3.18Å; L203-R205 PolarHBondContact O-N 3.33Å |
| 206 | H | 93.1 | Very high | 92 | Very high | 68 Ų | 68 | 52.8 Ų | 52.8 | 32% | 0.315 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -103.5 | -3.2 | -168.6 | -63.9 | -91.1 | 0 | 0 | 0 | 114 | R202 V208 Y327 | R202-H206 WeakPolarHBondContact O-CB 3.3Å; R202-H206 PolarHBondContact O-CD2 2.96Å; R202-H206 PolarHBondContact O-N 3.5Å; H206-V208 PolarHBondContact O-N 3.02Å; H206-Y327 VanDerWaalsContact O-CB 3.23Å; H206-Y327 WeakPolarHBondContact O-CB 3.37Å |
| 207 | R | 95 | Very high | 91.2 | Very high | 67 Ų | 67 | 50.8 Ų | 50.8 | 25% | 0.253 | 25% | 0.249 | S | C | . | . | S | Bend | trans | 61 | -4.8 | -177.8 | -45.6 | -50.9 | -177.3 | 171.8 | 4.1 | 115.9 | L203 R204 V229 I230 Y232 Y320 Y327 | L203-R207 WeakPolarHBondContact O-CA 3.46Å; L203-R207 PolarHBondContact O-N 2.97Å; R204-R207 PolarHBondContact O-NH1 2.9Å; R207-V229 CarbonylContact O-C 3.48Å; R207-V229 WeakPolarHBondContact O-CA 3.33Å; R207-V229 WeakPolarHBondContact O-CB 3.14Å; R207-I230 HydrophobicContact CB-CB 4.47Å; R207-I230 PolarHBondContact O-N 3.19Å; R207-Y232 WeakPolarHBondContact CD-OH 3.27Å; R207-Y232 HydrophobicContact CG-CE2 4.27Å; R207-Y232 PolarHBondContact NE-OH 2.72Å; R207-Y232 VanDerWaalsContact NE-OH 3.15Å; R207-Y232 PolarHBondContact NH1-OH 2.8Å; R207-Y320 HydrophobicContact CB-CD1 4.27Å; R207-Y327 HydrophobicContact CB-CD1 4.19Å; R207-Y327 HydrophobicContact CB-CD2 3.98Å; R207-Y327 HydrophobicContact CB-CE1 4.47Å; R207-Y327 HydrophobicContact CB-CE2 4.26Å; R207-Y327 HydrophobicContact CB-CG 3.94Å; R207-Y327 HydrophobicContact CG-CD1 3.86Å; R207-Y327 HydrophobicContact CG-CD2 4.2Å; R207-Y327 HydrophobicContact CG-CE1 3.72Å; R207-Y327 HydrophobicContact CG-CE2 4.05Å; R207-Y327 HydrophobicContact CG-CG 4.1Å |
| 208 | V | 96.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 141.7 | 171.8 | 50.6 | 0 | 0 | 0 | 0 | 109.2 | H206 R228 V229 F289 V318 D329 | H206-V208 PolarHBondContact O-N 3.02Å; V208-R228 WeakPolarHBondContact CA-O 3.31Å; V208-V229 HydrophobicContact CB-CG1 3.93Å; V208-V229 HydrophobicContact CG2-CG1 3.93Å; V208-F289 HydrophobicContact CG2-CE1 4.08Å; V208-F289 HydrophobicContact CG2-CZ 4.41Å; V208-V318 HydrophobicContact CG2-CB 4.14Å; V208-V318 HydrophobicContact CG2-CG1 3.77Å; V208-D329 HydrophobicContact CG1-CB 4.04Å; V208-D329 HydrophobicContact CG2-CB 4.26Å |
| 209 | C | 96.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 129.3 | 173.6 | -174.1 | 0 | 0 | 0 | 0 | 110.6 | R202 L203 G227 R228 D329 | R202-C209 HydrophobicContact CG-CB 4.5Å; L203-C209 HydrophobicContact CB-CB 3.86Å; L203-C209 HydrophobicContact CD1-CB 4.2Å; C209-G227 CarbonylContact O-C 3.51Å; C209-G227 WeakPolarHBondContact O-CA 3.12Å; C209-R228 PolarHBondContact N-O 3.44Å; C209-R228 PolarHBondContact O-N 3.02Å; C209-D329 VanDerWaalsContact CA-OD2 3.3Å; C209-D329 WeakPolarHBondContact CA-OD2 3.43Å |
| 210 | L | 96.8 | Very high | 87.2 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 140.5 | 167.4 | -171.1 | 67.1 | 0 | 0 | 0 | 111 | L193 V213 F289 F291 F316 V318 D329 Y336 | L193-L210 HydrophobicContact CD2-CD2 4.31Å; L193-L210 HydrophobicContact CD2-CG 4.21Å; L210-V213 HydrophobicContact CD1-CG2 4.25Å; L210-V213 HydrophobicContact CD2-CG2 3.57Å; L210-V213 HydrophobicContact CG-CG2 4.08Å; L210-F289 HydrophobicContact CD1-CE2 4.49Å; L210-F289 HydrophobicContact CD1-CZ 4.39Å; L210-F291 HydrophobicContact CD1-CE1 3.7Å; L210-F291 HydrophobicContact CD1-CZ 4.1Å; L210-F316 HydrophobicContact CD2-CE2 3.69Å; L210-F316 HydrophobicContact CD2-CZ 3.95Å; L210-V318 HydrophobicContact CD1-CG2 4.34Å; L210-D329 PolarHBondContact N-OD2 3.36Å; L210-Y336 HydrophobicContact CB-CE1 4.43Å; L210-Y336 HydrophobicContact CB-CE2 3.93Å; L210-Y336 HydrophobicContact CD2-CD1 3.68Å; L210-Y336 HydrophobicContact CD2-CD2 3.65Å; L210-Y336 HydrophobicContact CD2-CE1 3.71Å; L210-Y336 HydrophobicContact CD2-CE2 3.66Å; L210-Y336 HydrophobicContact CD2-CG 3.65Å; L210-Y336 HydrophobicContact CG-CE2 4.48Å |
| 211 | E | 94.6 | Very high | 86.2 | Confident | 42 Ų | 42 | 51.5 Ų | 51.5 | 20% | 0.196 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | -29 | -174.8 | -68.8 | 172.2 | -164.7 | 0 | 0 | 114.4 | S226 R228 R288 | E211-S226 PolarHBondContact N-O 3.2Å; E211-R228 WeakPolarHBondContact OE1-CB 3.23Å; E211-R228 WeakPolarHBondContact OE1-CG 3.21Å; E211-R228 IonicContact OE1-CZ 2.98Å; E211-R228 IonicContact OE1-NE 2.71Å; E211-R228 PolarHBondContact OE1-NE 3.04Å; E211-R228 IonicContact OE1-NH1 3.12Å; E211-R228 IonicContact OE1-NH2 2.71Å; E211-R228 PolarHBondContact OE1-NH2 2.81Å; E211-R228 IonicContact OE2-CZ 3.04Å; E211-R228 IonicContact OE2-NH2 3.56Å; E211-R288 IonicContact OE2-CZ 2.81Å; E211-R288 VanDerWaalsContact OE2-CZ 3.25Å; E211-R288 IonicContact OE2-NH1 2.64Å; E211-R288 PolarHBondContact OE2-NH1 3.22Å; E211-R288 IonicContact OE2-NH2 2.83Å; E211-R288 PolarHBondContact OE2-NH2 3.07Å |
| 212 | C | 93.3 | Very high | 85.9 | Confident | 42 Ų | 42 | 51.6 Ų | 51.6 | 28% | 0.284 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 140.1 | -177.5 | -172.5 | 0 | 0 | 0 | 0 | 110.4 | G225 S226 | C212-G225 CarbonylContact O-C 3.52Å; C212-G225 WeakPolarHBondContact O-CA 3.43Å; C212-S226 PolarHBondContact N-O 3.37Å; C212-S226 PolarHBondContact O-N 2.98Å |
| 213 | V | 95.1 | Very high | 85.9 | Confident | 19 Ų | 19 | 51 Ų | 51 | 12% | 0.115 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 132.6 | 174.3 | -177.5 | 0 | 0 | 0 | 0 | 107.9 | F191 L210 V223 T224 F316 L338 | F191-V213 HydrophobicContact CE2-CG2 4.39Å; F191-V213 HydrophobicContact CZ-CB 4.3Å; F191-V213 HydrophobicContact CZ-CG2 3.98Å; L210-V213 HydrophobicContact CD1-CG2 4.25Å; L210-V213 HydrophobicContact CD2-CG2 3.57Å; L210-V213 HydrophobicContact CG-CG2 4.08Å; V213-V223 HydrophobicContact CG1-CG1 3.89Å; V213-T224 WeakPolarHBondContact CA-O 3.45Å; V213-F316 HydrophobicContact CG1-CZ 4.3Å; V213-F316 HydrophobicContact CG2-CZ 3.95Å; V213-L338 HydrophobicContact CG1-CD2 4.36Å |
| 214 | Q | 92.2 | Very high | 85.9 | Confident | 123 Ų | 123 | 53.2 Ų | 53.2 | 58% | 0.575 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 129.9 | -179.3 | -58.8 | -178.5 | 2.8 | 0 | 0 | 108.7 | V223 T224 | Q214-V223 WeakPolarHBondContact O-CA 3.25Å; Q214-T224 PolarHBondContact N-O 3Å; Q214-T224 PolarHBondContact O-N 3.18Å |
| 215 | C | 89.3 | Confident | 86.1 | Confident | 25 Ų | 25 | 51.2 Ų | 51.2 | 17% | 0.169 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 114.9 | 176.1 | -63.8 | 0 | 0 | 0 | 0 | 108.2 | L187 | L187-C215 HydrophobicContact CB-CB 4.2Å; L187-C215 HydrophobicContact CD2-CB 4.34Å; L187-C215 HydrophobicContact CG-CB 4.34Å; L187-C215 VanDerWaalsContact O-CB 3.26Å; L187-C215 WeakPolarHBondContact O-CB 3.33Å |
| 216 | S | 80.5 | Confident | 86.3 | Confident | 42 Ų | 42 | 44.6 Ų | 44.6 | 29% | 0.294 | 25% | 0.25 | S | S | . | . | P | Polyproline II helix | trans | -67 | 169.1 | 179.5 | 76.3 | 0 | 0 | 0 | 0 | 111.8 | S220 E222 | S216-S220 PolarHBondContact OG-O 3.12Å; S216-E222 PolarHBondContact N-O 3.04Å; S216-E222 PolarHBondContact OG-N 3.14Å; S216-E222 PolarHBondContact OG-O 2.95Å |
| 217 | Q | 69 | Low | 86.4 | Confident | 102 Ų | 102 | 41.4 Ų | 41.4 | 48% | 0.477 | 24% | 0.235 | S | C | . | . | P | Polyproline II helix | trans | -91.8 | 150.4 | 174.7 | -61.1 | -58.4 | -82.1 | 0 | 0 | 111 | ||
| 218 | P | 63.4 | Low | 86.4 | Confident | 40 Ų | 40 | 40 Ų | 40 | 26% | 0.26 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -54.3 | 147.9 | 173.3 | -25.5 | 34.6 | 0 | 0 | 0 | 112.3 | ||
| 219 | P | 59.6 | Low | 86.3 | Confident | 114 Ų | 114 | 40 Ų | 40 | 74% | 0.74 | 23% | 0.23 | S | C | * | . | S | Bend | cis | -86.2 | -32.7 | 23.1 | 31.5 | -35.9 | 0 | 0 | 0 | 115.6 | A221 Q300 | P219-A221 PolarHBondContact O-N 3.49Å; P219-Q300 PolarHBondContact O-NE2 2.95Å |
| 220 | S | 62.3 | Low | 86.2 | Confident | 85 Ų | 85 | 40 Ų | 40 | 59% | 0.594 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -91.5 | 80.6 | -178.8 | 51.6 | 0 | 0 | 0 | 0 | 110.5 | S216 E222 | S216-S220 PolarHBondContact OG-O 3.12Å; S220-E222 PolarHBondContact O-N 2.82Å; S220-E222 VanDerWaalsContact O-N 3.13Å |
| 221 | A | 70.7 | Confident | 85.9 | Confident | 10 Ų | 10 | 41 Ų | 41 | 8% | 0.083 | 24% | 0.237 | C | C | . | . | trans | -64.3 | 109.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | P219 L295 Q300 | P219-A221 PolarHBondContact O-N 3.49Å; A221-L295 HydrophobicContact CB-CD1 4.21Å; A221-L295 WeakPolarHBondContact O-CB 3.5Å; A221-Q300 HydrophobicContact CB-CG 4.49Å | ||
| 222 | E | 84.9 | Confident | 85.6 | Confident | 82 Ų | 82 | 40.8 Ų | 40.8 | 38% | 0.383 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 138.3 | -174.1 | -175.9 | 179.5 | -169.7 | 0 | 0 | 107.6 | S216 S220 T224 S292 | S216-E222 PolarHBondContact N-O 3.04Å; S216-E222 PolarHBondContact OG-N 3.14Å; S216-E222 PolarHBondContact OG-O 2.95Å; S220-E222 PolarHBondContact O-N 2.82Å; S220-E222 VanDerWaalsContact O-N 3.13Å; E222-T224 HydrophobicContact CG-CG2 4.15Å; E222-S292 VanDerWaalsContact CD-OG 3.31Å; E222-S292 WeakPolarHBondContact CG-OG 3.12Å; E222-S292 WeakPolarHBondContact OE1-CB 3.43Å; E222-S292 PolarHBondContact OE1-OG 2.96Å |
| 223 | V | 93.1 | Very high | 85.2 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 106.8 | 176.9 | 177.9 | 0 | 0 | 0 | 0 | 107.6 | L187 V213 Q214 S292 L293 L295 L338 | L187-V223 HydrophobicContact CD2-CG2 3.5Å; L187-V223 VanDerWaalsContact CD2-CG2 3.5Å; V213-V223 HydrophobicContact CG1-CG1 3.89Å; Q214-V223 WeakPolarHBondContact O-CA 3.25Å; V223-S292 CarbonylContact O-C 3.51Å; V223-S292 WeakPolarHBondContact O-CA 3.2Å; V223-L293 HydrophobicContact CB-CB 4.19Å; V223-L293 HydrophobicContact CB-CD1 4.41Å; V223-L293 HydrophobicContact CB-CG 4.41Å; V223-L293 HydrophobicContact CG1-CD1 4.25Å; V223-L293 PolarHBondContact N-O 3.12Å; V223-L293 PolarHBondContact O-N 3.21Å; V223-L295 HydrophobicContact CG2-CD1 3.99Å; V223-L295 HydrophobicContact CG2-CD2 4.35Å; V223-L295 HydrophobicContact CG2-CG 4.38Å; V223-L338 HydrophobicContact CB-CD1 4.2Å; V223-L338 HydrophobicContact CG1-CD1 3.69Å; V223-L338 HydrophobicContact CG2-CD1 3.47Å; V223-L338 VanDerWaalsContact CG2-CD1 3.47Å |
| 224 | T | 95.1 | Very high | 84.9 | Confident | 46 Ų | 46 | 44.6 Ų | 44.6 | 28% | 0.282 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 154.2 | 171.2 | 63.1 | 0 | 0 | 0 | 0 | 110.2 | V213 Q214 E222 F291 | V213-T224 WeakPolarHBondContact CA-O 3.45Å; Q214-T224 PolarHBondContact N-O 3Å; Q214-T224 PolarHBondContact O-N 3.18Å; E222-T224 HydrophobicContact CG-CG2 4.15Å; T224-F291 VanDerWaalsContact CA-O 3.26Å; T224-F291 WeakPolarHBondContact CA-O 3.43Å |
| 225 | G | 95.5 | Very high | 84.8 | Confident | 7 Ų | 7 | 43.5 Ų | 43.5 | 7% | 0.072 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 164.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | C212 C290 F291 | C212-G225 CarbonylContact O-C 3.52Å; C212-G225 WeakPolarHBondContact O-CA 3.43Å; G225-C290 VanDerWaalsContact O-CA 3.28Å; G225-C290 WeakPolarHBondContact O-CA 3.23Å; G225-F291 PolarHBondContact N-O 3.48Å; G225-F291 WeakPolarHBondContact O-CD1 3.37Å; G225-F291 PolarHBondContact O-N 3.04Å |
| 226 | S | 95.5 | Very high | 85 | Confident | 23 Ų | 23 | 46.2 Ų | 46.2 | 16% | 0.161 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 158.6 | 172.7 | 64 | 0 | 0 | 0 | 0 | 112.2 | E211 C212 R288 F289 | E211-S226 PolarHBondContact N-O 3.2Å; C212-S226 PolarHBondContact N-O 3.37Å; C212-S226 PolarHBondContact O-N 2.98Å; S226-R288 PolarHBondContact OG-NH2 3.01Å; S226-F289 WeakPolarHBondContact CA-O 3.4Å; S226-F289 WeakPolarHBondContact CB-O 3.28Å |
| 227 | G | 95.4 | Very high | 85.7 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.8 | -166.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | C209 R288 F289 | C209-G227 CarbonylContact O-C 3.51Å; C209-G227 WeakPolarHBondContact O-CA 3.12Å; G227-R288 CarbonylContact O-C 3.52Å; G227-R288 WeakPolarHBondContact O-CA 3.43Å; G227-R288 VanDerWaalsContact O-CG 3.23Å; G227-R288 WeakPolarHBondContact O-CG 3.24Å; G227-F289 VanDerWaalsContact CA-CE1 3.46Å; G227-F289 PolarHBondContact N-O 3.44Å; G227-F289 WeakPolarHBondContact O-CD1 3.41Å; G227-F289 PolarHBondContact O-N 3.27Å |
| 228 | R | 95.2 | Very high | 87 | Confident | 37 Ų | 37 | 41.5 Ų | 41.5 | 14% | 0.14 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 156.3 | 173.6 | -79 | -176.1 | -63.8 | -113.1 | -13.3 | 112.6 | L203 V208 C209 E211 E263 E287 R288 | L203-R228 HydrophobicContact CD1-CB 4.26Å; L203-R228 WeakPolarHBondContact CD1-O 3.35Å; L203-R228 HydrophobicContact CD2-CB 3.64Å; V208-R228 WeakPolarHBondContact CA-O 3.31Å; C209-R228 PolarHBondContact N-O 3.44Å; C209-R228 PolarHBondContact O-N 3.02Å; E211-R228 WeakPolarHBondContact OE1-CB 3.23Å; E211-R228 WeakPolarHBondContact OE1-CG 3.21Å; E211-R228 IonicContact OE1-CZ 2.98Å; E211-R228 IonicContact OE1-NE 2.71Å; E211-R228 PolarHBondContact OE1-NE 3.04Å; E211-R228 IonicContact OE1-NH1 3.12Å; E211-R228 IonicContact OE1-NH2 2.71Å; E211-R228 PolarHBondContact OE1-NH2 2.81Å; E211-R228 IonicContact OE2-CZ 3.04Å; E211-R228 IonicContact OE2-NH2 3.56Å; R228-E263 WeakPolarHBondContact CD-OE2 3.3Å; R228-E263 IonicContact CZ-OE2 2.74Å; R228-E263 IonicContact NE-OE2 2.9Å; R228-E263 IonicContact NH1-OE2 3.25Å; R228-E263 PolarHBondContact NH1-OE2 3.06Å; R228-E287 CarbonylContact C-O 3.52Å; R228-E287 VanDerWaalsContact CA-O 3.26Å; R228-E287 WeakPolarHBondContact CA-O 3.41Å; R228-R288 HydrophobicContact CG-CB 4.48Å; R228-R288 HydrophobicContact CG-CG 4.47Å |
| 229 | V | 95.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 156.5 | 165.2 | -62.3 | 0 | 0 | 0 | 0 | 110.5 | R207 V208 V238 L257 T286 E287 F289 Y320 | R207-V229 CarbonylContact O-C 3.48Å; R207-V229 WeakPolarHBondContact O-CA 3.33Å; R207-V229 WeakPolarHBondContact O-CB 3.14Å; V208-V229 HydrophobicContact CB-CG1 3.93Å; V208-V229 HydrophobicContact CG2-CG1 3.93Å; V229-V238 HydrophobicContact CG1-CG2 3.6Å; V229-V238 HydrophobicContact CG2-CG2 4.47Å; V229-L257 HydrophobicContact CG2-CD2 3.91Å; V229-T286 CarbonylContact O-C 3.54Å; V229-T286 WeakPolarHBondContact O-CA 3.16Å; V229-T286 VanDerWaalsContact O-CB 3.27Å; V229-T286 WeakPolarHBondContact O-CB 3.35Å; V229-E287 HydrophobicContact CG2-CB 3.96Å; V229-E287 PolarHBondContact N-O 2.86Å; V229-E287 PolarHBondContact O-N 3.19Å; V229-F289 HydrophobicContact CG1-CD1 3.97Å; V229-F289 HydrophobicContact CG1-CE1 4.24Å; V229-Y320 HydrophobicContact CB-CD1 4.16Å; V229-Y320 HydrophobicContact CB-CD2 4.03Å; V229-Y320 HydrophobicContact CB-CE1 4.18Å; V229-Y320 HydrophobicContact CB-CE2 4.03Å; V229-Y320 HydrophobicContact CB-CG 4.09Å; V229-Y320 HydrophobicContact CG1-CD1 4.25Å; V229-Y320 HydrophobicContact CG1-CD2 3.75Å; V229-Y320 HydrophobicContact CG1-CE2 4.24Å; V229-Y320 HydrophobicContact CG1-CG 3.75Å; V229-Y320 HydrophobicContact CG2-CD2 4.24Å; V229-Y320 HydrophobicContact CG2-CE2 3.89Å |
| 230 | I | 93.9 | Very high | 90.5 | Very high | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 129.5 | 170.4 | -68.9 | 177.1 | 0 | 0 | 0 | 108.9 | L203 R207 Y232 L265 L284 T286 Y320 | L203-I230 HydrophobicContact CD1-CG1 4.06Å; L203-I230 HydrophobicContact CG-CD1 4.37Å; L203-I230 HydrophobicContact CG-CG1 4.04Å; L203-I230 WeakPolarHBondContact O-CD1 3.48Å; R207-I230 HydrophobicContact CB-CB 4.47Å; R207-I230 PolarHBondContact O-N 3.19Å; I230-Y232 HydrophobicContact CB-CE2 4.13Å; I230-Y232 HydrophobicContact CG2-CD2 4.38Å; I230-Y232 HydrophobicContact CG2-CE1 4.34Å; I230-Y232 HydrophobicContact CG2-CE2 3.68Å; I230-Y232 WeakPolarHBondContact O-CD2 3.32Å; I230-Y232 PolarHBondContact O-N 2.9Å; I230-L265 HydrophobicContact CD1-CD1 4.25Å; I230-L265 HydrophobicContact CG1-CD1 4.3Å; I230-L284 HydrophobicContact CD1-CD1 4.19Å; I230-L284 HydrophobicContact CG2-CD2 4.13Å; I230-T286 HydrophobicContact CG1-CG2 3.97Å; I230-Y320 WeakPolarHBondContact O-CE1 3.43Å; I230-Y320 PolarHBondContact O-OH 2.85Å |
| 231 | S | 90.3 | Very high | 92.2 | Very high | 19 Ų | 19 | 33.6 Ų | 33.6 | 13% | 0.133 | 20% | 0.197 | C | C | . | . | trans | -89.6 | 104.6 | -166.4 | -165.7 | 0 | 0 | 0 | 0 | 112.1 | R236 V285 E287 | S231-R236 PolarHBondContact OG-NH1 2.95Å; S231-R236 PolarHBondContact OG-NH2 2.71Å; S231-V285 VanDerWaalsContact CB-O 3.24Å; S231-V285 WeakPolarHBondContact CB-O 3.2Å; S231-V285 PolarHBondContact N-O 2.71Å; S231-E287 WeakPolarHBondContact CA-OE1 3.45Å; S231-E287 WeakPolarHBondContact CB-OE1 3.33Å; S231-E287 VanDerWaalsContact OG-CD 3.27Å; S231-E287 PolarHBondContact OG-OE1 2.74Å | ||
| 232 | Y | 87.6 | Confident | 93.5 | Very high | 38 Ų | 38 | 33.7 Ų | 33.7 | 15% | 0.149 | 20% | 0.196 | C | C | . | . | trans | -104.2 | 135.5 | 176.4 | -65.8 | -74.5 | 0 | 0 | 0 | 111.7 | R207 I230 R236 Y320 Q324 | R207-Y232 WeakPolarHBondContact CD-OH 3.27Å; R207-Y232 HydrophobicContact CG-CE2 4.27Å; R207-Y232 PolarHBondContact NE-OH 2.72Å; R207-Y232 VanDerWaalsContact NE-OH 3.15Å; R207-Y232 PolarHBondContact NH1-OH 2.8Å; I230-Y232 HydrophobicContact CB-CE2 4.13Å; I230-Y232 HydrophobicContact CG2-CD2 4.38Å; I230-Y232 HydrophobicContact CG2-CE1 4.34Å; I230-Y232 HydrophobicContact CG2-CE2 3.68Å; I230-Y232 WeakPolarHBondContact O-CD2 3.32Å; I230-Y232 PolarHBondContact O-N 2.9Å; Y232-R236 VanDerWaalsContact C-NH2 3.27Å; Y232-R236 VanDerWaalsContact O-CZ 3.23Å; Y232-R236 PolarHBondContact O-NE 2.9Å; Y232-R236 PolarHBondContact O-NH2 2.79Å; Y232-Y320 HydrophobicContact CD2-CE1 4.36Å; Y232-Q324 VanDerWaalsContact CB-CD 3.48Å; Y232-Q324 HydrophobicContact CD1-CG 4.13Å; Y232-Q324 HydrophobicContact CE1-CG 4.49Å; Y232-Q324 HydrophobicContact CG-CG 4.15Å; Y232-Q324 VanDerWaalsContact CG-OE1 3.27Å | ||
| 233 | P | 85.8 | Confident | 94 | Very high | 98 Ų | 98 | 29.9 Ų | 29.9 | 64% | 0.636 | 18% | 0.178 | S | C | * | . | S | Bend | trans | -53.6 | 148.3 | 176.3 | -26.5 | 35.5 | 0 | 0 | 0 | 112.7 | ||
| 234 | G | 87.3 | Confident | 93.9 | Very high | 44 Ų | 44 | 32 Ų | 32 | 45% | 0.454 | 19% | 0.187 | S | C | . | . | S | Bend | trans | 107.8 | -171.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | E323 | G234-E323 WeakPolarHBondContact CA-OE1 3.43Š|
| 235 | P | 91 | Very high | 93.8 | Very high | 99 Ų | 99 | 32.1 Ų | 32.1 | 64% | 0.643 | 19% | 0.188 | S | C | * | . | trans | -69.4 | 137.9 | 177.1 | 29.1 | -33.5 | 0 | 0 | 0 | 111.4 | E323 | P235-E323 VanDerWaalsContact CD-OE1 3.28Å; P235-E323 WeakPolarHBondContact CD-OE1 3.31Å; P235-E323 HydrophobicContact CG-CG 4.43Å | ||
| 236 | R | 92.7 | Very high | 93.6 | Very high | 82 Ų | 82 | 37.2 Ų | 37.2 | 31% | 0.309 | 21% | 0.21 | S | C | . | . | trans | -129.8 | 143.3 | -178.6 | -61.2 | 171.7 | -168.1 | 151.8 | -1.3 | 110.2 | S231 Y232 L257 E287 Y320 R321 | S231-R236 PolarHBondContact OG-NH1 2.95Å; S231-R236 PolarHBondContact OG-NH2 2.71Å; Y232-R236 VanDerWaalsContact C-NH2 3.27Å; Y232-R236 VanDerWaalsContact O-CZ 3.23Å; Y232-R236 PolarHBondContact O-NE 2.9Å; Y232-R236 PolarHBondContact O-NH2 2.79Å; R236-L257 HydrophobicContact CB-CD1 4.03Å; R236-E287 WeakPolarHBondContact CD-OE1 3.28Å; R236-E287 IonicContact CZ-OE1 3.19Å; R236-E287 IonicContact CZ-OE2 3.81Å; R236-E287 IonicContact NE-OE1 3.33Å; R236-E287 PolarHBondContact NE-OE1 2.8Å; R236-E287 IonicContact NH1-OE1 2.81Å; R236-E287 PolarHBondContact NH1-OE1 3.07Å; R236-E287 IonicContact NH1-OE2 2.75Å; R236-E287 PolarHBondContact NH1-OE2 2.9Å; R236-Y320 HydrophobicContact CB-CE2 4.21Å; R236-Y320 HydrophobicContact CG-CE2 4.46Å; R236-R321 WeakPolarHBondContact CA-O 3.28Å | ||
| 237 | A | 95.4 | Very high | 93.5 | Very high | 42 Ų | 42 | 40 Ų | 40 | 35% | 0.347 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 136.2 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y320 R321 | A237-Y320 WeakPolarHBondContact O-CD2 3.44Å; A237-R321 PolarHBondContact N-O 2.93Å; A237-R321 PolarHBondContact O-N 3.24Å |
| 238 | V | 97.7 | Very high | 93.5 | Very high | 3 Ų | 3 | 50.2 Ų | 50.2 | 2% | 0.018 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 140.7 | 163.4 | 179.3 | 0 | 0 | 0 | 0 | 108.1 | V229 A255 L257 F289 V318 C319 Y320 | V229-V238 HydrophobicContact CG1-CG2 3.6Å; V229-V238 HydrophobicContact CG2-CG2 4.47Å; V238-A255 HydrophobicContact CB-CB 3.88Å; V238-A255 HydrophobicContact CG1-CB 3.65Å; V238-A255 PolarHBondContact O-N 3.12Å; V238-L257 HydrophobicContact CG2-CD1 4.2Å; V238-L257 HydrophobicContact CG2-CD2 4.09Å; V238-L257 HydrophobicContact CG2-CG 4.29Å; V238-F289 HydrophobicContact CG1-CB 4.47Å; V238-F289 HydrophobicContact CG1-CD1 4.4Å; V238-F289 HydrophobicContact CG1-CD2 3.89Å; V238-F289 HydrophobicContact CG1-CE2 4.19Å; V238-F289 HydrophobicContact CG1-CG 4.01Å; V238-F289 HydrophobicContact CG2-CB 4.33Å; V238-F289 HydrophobicContact CG2-CD1 4.47Å; V238-F289 HydrophobicContact CG2-CG 4.4Å; V238-V318 HydrophobicContact CG1-CG1 3.52Å; V238-C319 CarbonylContact C-O 3.56Å; V238-C319 WeakPolarHBondContact CA-O 3.43Å; V238-Y320 HydrophobicContact CG2-CD2 3.67Å; V238-Y320 HydrophobicContact CG2-CE2 4.41Å; V238-Y320 HydrophobicContact CG2-CG 4.48Å |
| 239 | T | 98.1 | Very high | 93.4 | Very high | 20 Ų | 20 | 52.6 Ų | 52.6 | 12% | 0.123 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 129 | -179.8 | -59.6 | 0 | 0 | 0 | 0 | 108.8 | D252 V253 C319 | T239-D252 HydrophobicContact CG2-CB 3.74Å; T239-V253 CarbonylContact C-O 3.59Å; T239-V253 VanDerWaalsContact CA-O 3.31Å; T239-V253 WeakPolarHBondContact CA-O 3.43Å; T239-V253 WeakPolarHBondContact CG2-O 3.41Å; T239-C319 PolarHBondContact N-O 2.63Å; T239-C319 WeakPolarHBondContact O-CB 3.5Å; T239-C319 PolarHBondContact O-N 3.02Å |
| 240 | V | 98.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 118.1 | 172.7 | -176.2 | 0 | 0 | 0 | 0 | 108.4 | V253 F291 L293 F316 V318 | V240-V253 PolarHBondContact N-O 3.42Å; V240-V253 PolarHBondContact O-N 2.82Å; V240-F291 HydrophobicContact CB-CD2 4.4Å; V240-F291 HydrophobicContact CB-CG 4.49Å; V240-F291 HydrophobicContact CG1-CD2 4.44Å; V240-F291 HydrophobicContact CG1-CE2 4.26Å; V240-F291 HydrophobicContact CG2-CB 4.04Å; V240-F291 HydrophobicContact CG2-CD1 3.64Å; V240-F291 HydrophobicContact CG2-CD2 3.9Å; V240-F291 HydrophobicContact CG2-CE1 3.97Å; V240-F291 HydrophobicContact CG2-CE2 4.22Å; V240-F291 HydrophobicContact CG2-CG 3.59Å; V240-F291 HydrophobicContact CG2-CZ 4.25Å; V240-L293 HydrophobicContact CB-CD2 4.13Å; V240-L293 HydrophobicContact CG1-CD1 4.34Å; V240-L293 HydrophobicContact CG1-CD2 3.89Å; V240-F316 HydrophobicContact CG1-CB 4.03Å; V240-F316 HydrophobicContact CG1-CD2 3.66Å; V240-F316 HydrophobicContact CG1-CE2 4.48Å; V240-F316 HydrophobicContact CG1-CG 4.18Å; V240-V318 HydrophobicContact CG2-CG1 4.41Å; V240-V318 HydrophobicContact CG2-CG2 4.31Å |
| 241 | R | 98.2 | Very high | 93.6 | Very high | 53 Ų | 53 | 61.7 Ų | 61.7 | 20% | 0.2 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 126.1 | 172.8 | -176.9 | 171.2 | -72.4 | 166.4 | -2.5 | 109 | W247 F250 L251 D252 F316 A317 W328 | R241-W247 HydrophobicContact CB-CZ3 4.46Å; R241-W247 HydrophobicContact CG-CZ3 3.8Å; R241-F250 HydrophobicContact CG-CB 3.83Å; R241-F250 HydrophobicContact CG-CD2 3.76Å; R241-F250 HydrophobicContact CG-CG 3.97Å; R241-F250 VanDerWaalsContact NE-CD2 3.34Å; R241-L251 WeakPolarHBondContact CA-O 3.18Å; R241-D252 VanDerWaalsContact CB-OD1 3.23Å; R241-D252 WeakPolarHBondContact CB-OD1 3.23Å; R241-D252 WeakPolarHBondContact CG-OD1 3.41Å; R241-D252 IonicContact CZ-OD1 3.51Å; R241-D252 IonicContact CZ-OD2 3.6Å; R241-D252 IonicContact NE-OD1 3.61Å; R241-D252 PolarHBondContact NE-OD1 2.63Å; R241-D252 IonicContact NE-OD2 3.45Å; R241-D252 IonicContact NH2-OD1 3.45Å; R241-D252 PolarHBondContact NH2-OD1 3.01Å; R241-D252 IonicContact NH2-OD2 2.76Å; R241-D252 PolarHBondContact NH2-OD2 3.27Å; R241-F316 CarbonylContact O-C 3.54Å; R241-F316 WeakPolarHBondContact O-CA 3.2Å; R241-F316 VanDerWaalsContact O-CB 3.3Å; R241-F316 WeakPolarHBondContact O-CB 3.46Å; R241-A317 PolarHBondContact N-O 3.2Å; R241-A317 PolarHBondContact O-N 3.39Å; R241-W328 HydrophobicContact CB-CH2 4.22Å; R241-W328 HydrophobicContact CB-CZ3 4.1Å |
| 242 | Y | 96.8 | Very high | 94 | Very high | 13 Ų | 13 | 64.1 Ų | 64.1 | 5% | 0.051 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 156.9 | 179.7 | 66.2 | -74.1 | 0 | 0 | 0 | 112.9 | F244 F250 L251 V253 L293 H315 | Y242-F244 HydrophobicContact CD2-CE1 4.23Å; Y242-F244 HydrophobicContact CD2-CE2 4.18Å; Y242-F244 AromaticContact CD2-CZ 3.73Å; Y242-F244 HydrophobicContact CD2-CZ 3.73Å; Y242-F244 AromaticContact CE2-CE2 3.92Å; Y242-F244 HydrophobicContact CE2-CE2 3.92Å; Y242-F244 AromaticContact CE2-CZ 3.6Å; Y242-F244 HydrophobicContact CE2-CZ 3.6Å; Y242-F250 CarbonylContact O-C 3.55Å; Y242-F250 VanDerWaalsContact O-CA 3.24Å; Y242-F250 WeakPolarHBondContact O-CA 3.26Å; Y242-F250 WeakPolarHBondContact O-CB 3.28Å; Y242-L251 HydrophobicContact CD1-CB 4.08Å; Y242-L251 VanDerWaalsContact CD1-O 3.23Å; Y242-L251 WeakPolarHBondContact CD1-O 3.5Å; Y242-L251 HydrophobicContact CE1-CB 3.58Å; Y242-L251 HydrophobicContact CE2-CB 4.16Å; Y242-L251 HydrophobicContact CE2-CD1 3.85Å; Y242-L251 PolarHBondContact N-O 3.31Å; Y242-L251 PolarHBondContact O-N 3.04Å; Y242-V253 HydrophobicContact CE1-CB 4.16Å; Y242-V253 HydrophobicContact CE1-CG2 3.66Å; Y242-L293 HydrophobicContact CD1-CD1 4.42Å; Y242-L293 HydrophobicContact CD1-CD2 3.79Å; Y242-L293 HydrophobicContact CE1-CD2 3.96Å; Y242-L293 HydrophobicContact CG-CD1 4.16Å; Y242-L293 HydrophobicContact CG-CD2 4.34Å; Y242-H315 CarbonylContact C-O 3.49Å; Y242-H315 WeakPolarHBondContact CA-O 3.45Å |
| 243 | T | 95.3 | Very high | 94.4 | Very high | 2 Ų | 2 | 64 Ų | 64 | 1% | 0.012 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 154.4 | -175.2 | -179.4 | 0 | 0 | 0 | 0 | 111.6 | T245 W247 T249 H315 | T243-T245 PolarHBondContact OG1-N 3.41Å; T243-T245 VanDerWaalsContact OG1-N 3.15Å; T243-T245 PolarHBondContact OG1-OG1 3.3Å; T243-W247 HydrophobicContact CG2-CD2 3.61Å; T243-W247 HydrophobicContact CG2-CE3 4.04Å; T243-W247 HydrophobicContact CG2-CG 3.84Å; T243-W247 HydrophobicContact CG2-CZ2 4.18Å; T243-W247 PolarHBondContact OG1-N 2.94Å; T243-T249 VanDerWaalsContact CB-O 3.23Å; T243-T249 WeakPolarHBondContact CB-O 3.35Å; T243-T249 PolarHBondContact OG1-O 3.46Å; T243-H315 HydrophobicContact CG2-CB 3.76Å; T243-H315 PolarHBondContact N-O 3.3Å; T243-H315 PolarHBondContact O-N 3.03Å; T243-H315 VanDerWaalsContact O-N 3.14Å |
| 244 | F | 91.8 | Very high | 95 | Very high | 43 Ų | 43 | 64.2 Ų | 64.2 | 19% | 0.189 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -121.5 | 12.3 | 174.4 | -50.7 | -61.2 | 0 | 0 | 0 | 111.7 | Y242 L251 L295 P296 L299 I314 | Y242-F244 HydrophobicContact CD2-CE1 4.23Å; Y242-F244 HydrophobicContact CD2-CE2 4.18Å; Y242-F244 AromaticContact CD2-CZ 3.73Å; Y242-F244 HydrophobicContact CD2-CZ 3.73Å; Y242-F244 AromaticContact CE2-CE2 3.92Å; Y242-F244 HydrophobicContact CE2-CE2 3.92Å; Y242-F244 AromaticContact CE2-CZ 3.6Å; Y242-F244 HydrophobicContact CE2-CZ 3.6Å; F244-L251 HydrophobicContact CE2-CD1 4.4Å; F244-L295 HydrophobicContact CE1-CD2 3.95Å; F244-L295 HydrophobicContact CZ-CD2 4.04Å; F244-P296 HydrophobicContact CE2-CG 3.96Å; F244-P296 HydrophobicContact CZ-CG 4.38Å; F244-L299 HydrophobicContact CB-CD2 4.42Å; F244-L299 HydrophobicContact CD1-CD1 3.42Å; F244-L299 VanDerWaalsContact CD1-CD1 3.42Å; F244-L299 HydrophobicContact CD1-CD2 4.47Å; F244-L299 HydrophobicContact CD2-CD1 4.17Å; F244-L299 HydrophobicContact CE1-CD1 3.31Å; F244-L299 HydrophobicContact CE2-CD1 4.08Å; F244-L299 HydrophobicContact CG-CD1 3.85Å; F244-L299 HydrophobicContact CG-CD2 4.4Å; F244-L299 HydrophobicContact CZ-CD1 3.65Å; F244-I314 HydrophobicContact CD1-CB 4.29Å; F244-I314 HydrophobicContact CD1-CG1 3.95Å; F244-I314 HydrophobicContact CD1-CG2 3.85Å; F244-I314 HydrophobicContact CE1-CB 4.33Å; F244-I314 HydrophobicContact CE1-CD1 4.12Å; F244-I314 HydrophobicContact CE1-CG1 4.01Å; F244-I314 HydrophobicContact CE1-CG2 3.56Å |
| 245 | T | 91.7 | Very high | 95.4 | Very high | 49 Ų | 49 | 62.7 Ų | 62.7 | 30% | 0.301 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -144.7 | 30.7 | -160.1 | 58.7 | 0 | 0 | 0 | 0 | 113 | T243 W247 R248 T249 | T243-T245 PolarHBondContact OG1-N 3.41Å; T243-T245 VanDerWaalsContact OG1-N 3.15Å; T243-T245 PolarHBondContact OG1-OG1 3.3Å; T245-W247 VanDerWaalsContact C-N 3.31Å; T245-W247 PolarHBondContact O-N 3.24Å; T245-R248 VanDerWaalsContact O-CB 3.25Å; T245-R248 WeakPolarHBondContact O-CB 3.36Å; T245-R248 VanDerWaalsContact O-CD 3.25Å; T245-R248 WeakPolarHBondContact O-CD 3.15Å; T245-R248 WeakPolarHBondContact O-CG 3.14Å; T245-R248 PolarHBondContact O-N 2.99Å; T245-R248 VanDerWaalsContact O-N 3.17Å; T245-T249 PolarHBondContact OG1-N 3.17Å; T245-T249 PolarHBondContact OG1-O 2.91Å; T245-T249 VanDerWaalsContact OG1-O 3.1Å; T245-T249 PolarHBondContact OG1-OG1 3.23Å |
| 246 | E | 91.8 | Very high | 95.6 | Very high | 114 Ų | 114 | 64.8 Ų | 64.8 | 53% | 0.533 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | 47.7 | -174.8 | -56.1 | -45.9 | 105.6 | 0 | 0 | 112.9 | R248 H315 | E246-R248 PolarHBondContact O-N 3.35Å; E246-H315 IonicContact OE1-CD2 3.97Å; E246-H315 IonicContact OE1-NE2 2.8Å; E246-H315 PolarHBondContact OE1-NE2 3.22Å; E246-H315 IonicContact OE2-NE2 3.77Å |
| 247 | W | 94.7 | Very high | 95.5 | Very high | 81 Ų | 81 | 63 Ų | 63 | 31% | 0.307 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.5 | 5.1 | -179.7 | -58.2 | 89.8 | 0 | 0 | 0 | 115.8 | R241 T243 T245 T249 H315 A317 N335 | R241-W247 HydrophobicContact CB-CZ3 4.46Å; R241-W247 HydrophobicContact CG-CZ3 3.8Å; T243-W247 HydrophobicContact CG2-CD2 3.61Å; T243-W247 HydrophobicContact CG2-CE3 4.04Å; T243-W247 HydrophobicContact CG2-CG 3.84Å; T243-W247 HydrophobicContact CG2-CZ2 4.18Å; T243-W247 PolarHBondContact OG1-N 2.94Å; T245-W247 VanDerWaalsContact C-N 3.31Å; T245-W247 PolarHBondContact O-N 3.24Å; W247-T249 PolarHBondContact O-N 3.31Å; W247-H315 HydrophobicContact CZ2-CB 3.84Å; W247-A317 HydrophobicContact CH2-CB 4Å; W247-N335 HydrophobicContact CZ2-CB 4.19Å; W247-N335 WeakPolarHBondContact CZ2-OD1 3.35Å |
| 248 | R | 93.7 | Very high | 94.9 | Very high | 215 Ų | 215 | 63.3 Ų | 63.3 | 81% | 0.811 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -61 | -34.7 | 173.8 | -64.2 | 169.3 | -175.5 | -107.9 | 1.3 | 112.3 | T245 E246 | T245-R248 VanDerWaalsContact O-CB 3.25Å; T245-R248 WeakPolarHBondContact O-CB 3.36Å; T245-R248 VanDerWaalsContact O-CD 3.25Å; T245-R248 WeakPolarHBondContact O-CD 3.15Å; T245-R248 WeakPolarHBondContact O-CG 3.14Å; T245-R248 PolarHBondContact O-N 2.99Å; T245-R248 VanDerWaalsContact O-N 3.17Å; E246-R248 PolarHBondContact O-N 3.35Å |
| 249 | T | 94.9 | Very high | 93.5 | Very high | 88 Ų | 88 | 68.5 Ų | 68.5 | 54% | 0.54 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -136.2 | 146.7 | 169.4 | 54.8 | 0 | 0 | 0 | 0 | 109 | T243 T245 W247 | T243-T249 VanDerWaalsContact CB-O 3.23Å; T243-T249 WeakPolarHBondContact CB-O 3.35Å; T243-T249 PolarHBondContact OG1-O 3.46Å; T245-T249 PolarHBondContact OG1-N 3.17Å; T245-T249 PolarHBondContact OG1-O 2.91Å; T245-T249 VanDerWaalsContact OG1-O 3.1Å; T245-T249 PolarHBondContact OG1-OG1 3.23Å; W247-T249 PolarHBondContact O-N 3.31Å |
| 250 | F | 96.8 | Very high | 91.7 | Very high | 102 Ų | 102 | 76.7 Ų | 76.7 | 45% | 0.447 | 38% | 0.384 | S | S | . | . | trans | -140.7 | 161.9 | 179.9 | 61.2 | -95.7 | 0 | 0 | 0 | 111.2 | R241 Y242 | R241-F250 HydrophobicContact CG-CB 3.83Å; R241-F250 HydrophobicContact CG-CD2 3.76Å; R241-F250 HydrophobicContact CG-CG 3.97Å; R241-F250 VanDerWaalsContact NE-CD2 3.34Å; Y242-F250 CarbonylContact O-C 3.55Å; Y242-F250 VanDerWaalsContact O-CA 3.24Å; Y242-F250 WeakPolarHBondContact O-CA 3.26Å; Y242-F250 WeakPolarHBondContact O-CB 3.28Å | ||
| 251 | L | 96.3 | Very high | 90.1 | Very high | 90 Ų | 90 | 78.1 Ų | 78.1 | 47% | 0.471 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 133.5 | 174.4 | -64.6 | 173.7 | 0 | 0 | 0 | 108.4 | R241 Y242 F244 | R241-L251 WeakPolarHBondContact CA-O 3.18Å; Y242-L251 HydrophobicContact CD1-CB 4.08Å; Y242-L251 VanDerWaalsContact CD1-O 3.23Å; Y242-L251 WeakPolarHBondContact CD1-O 3.5Å; Y242-L251 HydrophobicContact CE1-CB 3.58Å; Y242-L251 HydrophobicContact CE2-CB 4.16Å; Y242-L251 HydrophobicContact CE2-CD1 3.85Å; Y242-L251 PolarHBondContact N-O 3.31Å; Y242-L251 PolarHBondContact O-N 3.04Å; F244-L251 HydrophobicContact CE2-CD1 4.4Å |
| 252 | D | 97.8 | Very high | 88.7 | Confident | 70 Ų | 70 | 80 Ų | 80 | 37% | 0.374 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 119 | 175.9 | -78 | -10.2 | 0 | 0 | 0 | 108.8 | T239 R241 | T239-D252 HydrophobicContact CG2-CB 3.74Å; R241-D252 VanDerWaalsContact CB-OD1 3.23Å; R241-D252 WeakPolarHBondContact CB-OD1 3.23Å; R241-D252 WeakPolarHBondContact CG-OD1 3.41Å; R241-D252 IonicContact CZ-OD1 3.51Å; R241-D252 IonicContact CZ-OD2 3.6Å; R241-D252 IonicContact NE-OD1 3.61Å; R241-D252 PolarHBondContact NE-OD1 2.63Å; R241-D252 IonicContact NE-OD2 3.45Å; R241-D252 IonicContact NH2-OD1 3.45Å; R241-D252 PolarHBondContact NH2-OD1 3.01Å; R241-D252 IonicContact NH2-OD2 2.76Å; R241-D252 PolarHBondContact NH2-OD2 3.27Å |
| 253 | V | 97.1 | Very high | 87.5 | Confident | 35 Ų | 35 | 83.7 Ų | 83.7 | 21% | 0.212 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 129 | 175.7 | 156.6 | 0 | 0 | 0 | 0 | 109.8 | T239 V240 Y242 L293 | T239-V253 CarbonylContact C-O 3.59Å; T239-V253 VanDerWaalsContact CA-O 3.31Å; T239-V253 WeakPolarHBondContact CA-O 3.43Å; T239-V253 WeakPolarHBondContact CG2-O 3.41Å; V240-V253 PolarHBondContact N-O 3.42Å; V240-V253 PolarHBondContact O-N 2.82Å; Y242-V253 HydrophobicContact CE1-CB 4.16Å; Y242-V253 HydrophobicContact CE1-CG2 3.66Å; V253-L293 HydrophobicContact CB-CD2 4.45Å; V253-L293 HydrophobicContact CG1-CD2 4.49Å |
| 254 | P | 97.3 | Very high | 86.2 | Confident | 104 Ų | 104 | 90 Ų | 90 | 68% | 0.675 | 45% | 0.452 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 140.9 | 173.9 | 29.3 | -34.4 | 0 | 0 | 0 | 110.3 | ||
| 255 | A | 96.8 | Very high | 84.9 | Confident | 12 Ų | 12 | 88.5 Ų | 88.5 | 10% | 0.099 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 145.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | V238 F289 C290 F291 | V238-A255 HydrophobicContact CB-CB 3.88Å; V238-A255 HydrophobicContact CG1-CB 3.65Å; V238-A255 PolarHBondContact O-N 3.12Å; A255-F289 HydrophobicContact CB-CD2 4.04Å; A255-C290 CarbonylContact C-O 3.53Å; A255-C290 WeakPolarHBondContact CA-O 3.49Å; A255-C290 WeakPolarHBondContact CB-O 3.38Å; A255-F291 HydrophobicContact CB-CB 3.95Å |
| 256 | E | 94.6 | Very high | 83.4 | Confident | 143 Ų | 143 | 89.3 Ų | 89.3 | 67% | 0.668 | 45% | 0.452 | S | S | * | . | B | Isolated β-bridge | trans | -78.3 | 138.4 | 178.6 | -62.1 | -179.6 | 178.1 | 0 | 0 | 110.3 | F289 C290 | E256-F289 WeakPolarHBondContact O-CA 3.17Å; E256-F289 WeakPolarHBondContact O-CB 3.37Å; E256-C290 PolarHBondContact N-O 3.03Å; E256-C290 PolarHBondContact O-N 3.26Å |
| 257 | L | 90.6 | Very high | 81.8 | Confident | 43 Ų | 43 | 88 Ų | 88 | 23% | 0.225 | 45% | 0.454 | C | S | . | . | trans | -116.2 | 93.4 | 171.6 | -75.6 | 167.4 | 0 | 0 | 0 | 107.8 | V229 R236 V238 E287 F289 | V229-L257 HydrophobicContact CG2-CD2 3.91Å; R236-L257 HydrophobicContact CB-CD1 4.03Å; V238-L257 HydrophobicContact CG2-CD1 4.2Å; V238-L257 HydrophobicContact CG2-CD2 4.09Å; V238-L257 HydrophobicContact CG2-CG 4.29Å; L257-E287 HydrophobicContact CD2-CB 3.99Å; L257-F289 HydrophobicContact CD2-CB 3.81Å | ||
| 258 | P | 83.8 | Confident | 80.1 | Confident | 50 Ų | 50 | 87.6 Ų | 87.6 | 33% | 0.325 | 46% | 0.46 | S | S | . | . | trans | -73.6 | 127.2 | -177.5 | -12.7 | 28.3 | 0 | 0 | 0 | 110 | E260 S261 R288 | P258-E260 PolarHBondContact O-N 3.43Å; P258-S261 WeakPolarHBondContact CB-OG 3.26Å; P258-S261 VanDerWaalsContact O-CB 3.28Å; P258-S261 WeakPolarHBondContact O-CB 3.34Å; P258-S261 PolarHBondContact O-N 3.4Å; P258-S261 PolarHBondContact O-OG 2.98Å; P258-R288 VanDerWaalsContact CD-O 3.31Å; P258-R288 WeakPolarHBondContact CD-O 3.47Å | ||
| 259 | P | 67.3 | Low | 78.1 | Confident | 112 Ų | 112 | 83.3 Ų | 83.3 | 73% | 0.727 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -13.2 | -163.9 | 25.5 | -35.8 | 0 | 0 | 0 | 115.5 | ||
| 260 | E | 61.2 | Low | 76 | Confident | 191 Ų | 191 | 85.2 Ų | 85.2 | 89% | 0.893 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -3.7 | 177.4 | -58.8 | -174.2 | 161.1 | 0 | 0 | 113.2 | P258 L262 | P258-E260 PolarHBondContact O-N 3.43Å; E260-L262 PolarHBondContact O-N 2.91Å |
| 261 | S | 63 | Low | 73.8 | Confident | 30 Ų | 30 | 83.8 Ų | 83.8 | 21% | 0.21 | 48% | 0.48 | C | S | . | . | trans | -80.5 | 30.1 | -170.2 | -43.4 | 0 | 0 | 0 | 0 | 115.1 | P258 E263 T286 E287 R288 | P258-S261 WeakPolarHBondContact CB-OG 3.26Å; P258-S261 VanDerWaalsContact O-CB 3.28Å; P258-S261 WeakPolarHBondContact O-CB 3.34Å; P258-S261 PolarHBondContact O-N 3.4Å; P258-S261 PolarHBondContact O-OG 2.98Å; S261-E263 PolarHBondContact O-N 3.24Å; S261-T286 VanDerWaalsContact O-O 3.11Å; S261-E287 WeakPolarHBondContact O-CA 3.46Å; S261-R288 PolarHBondContact O-N 3.47Å | ||
| 262 | L | 69.3 | Low | 71.3 | Confident | 92 Ų | 92 | 87 Ų | 87 | 48% | 0.482 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 87.6 | -170.4 | -66.3 | 170.2 | 0 | 0 | 0 | 112.3 | E260 V285 T286 E287 | E260-L262 PolarHBondContact O-N 2.91Å; L262-V285 HydrophobicContact CB-CG1 3.92Å; L262-V285 HydrophobicContact CD2-CG1 3.62Å; L262-V285 HydrophobicContact CG-CG1 4.29Å; L262-T286 CarbonylContact C-O 3.57Å; L262-T286 WeakPolarHBondContact CA-O 3.48Å; L262-E287 HydrophobicContact CD2-CG 3.47Å; L262-E287 VanDerWaalsContact CD2-CG 3.47Å |
| 263 | E | 71.2 | Confident | 68.9 | Low | 92 Ų | 92 | 90.1 Ų | 90.1 | 43% | 0.43 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 134.8 | 173.2 | -65.7 | -174.6 | 153.8 | 0 | 0 | 110.8 | R228 S261 T286 | R228-E263 WeakPolarHBondContact CD-OE2 3.3Å; R228-E263 IonicContact CZ-OE2 2.74Å; R228-E263 IonicContact NE-OE2 2.9Å; R228-E263 IonicContact NH1-OE2 3.25Å; R228-E263 PolarHBondContact NH1-OE2 3.06Å; S261-E263 PolarHBondContact O-N 3.24Å; E263-T286 PolarHBondContact N-O 3.19Å; E263-T286 PolarHBondContact O-N 3.01Å; E263-T286 PolarHBondContact O-OG1 3.32Å |
| 264 | K | 68.9 | Low | 66.4 | Low | 134 Ų | 134 | 91.4 Ų | 91.4 | 58% | 0.583 | 54% | 0.54 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 126.5 | 173.2 | -71.1 | 153.6 | 168.6 | -88.4 | 0 | 109.8 | E283 | K264-E283 VanDerWaalsContact CD-OE1 3.3Å; K264-E283 WeakPolarHBondContact CD-OE1 3.28Å; K264-E283 HydrophobicContact CG-CG 4.35Å; K264-E283 IonicContact NZ-OE1 3.63Å; K264-E283 PolarHBondContact NZ-OE1 3.47Å; K264-E283 IonicContact NZ-OE2 3.39Å; K264-E283 PolarHBondContact NZ-OE2 3.26Å |
| 265 | L | 65.1 | Low | 64.2 | Low | 11 Ų | 11 | 93.4 Ų | 93.4 | 6% | 0.058 | 55% | 0.553 | C | S | . | * | P | Polyproline II helix | trans | -68.4 | 139.3 | 167.7 | -82.5 | 166.8 | 0 | 0 | 0 | 110.4 | E200 L203 R204 I230 L284 T286 | E200-L265 HydrophobicContact CG-CD2 4.07Å; L203-L265 HydrophobicContact CD2-CD1 4.42Å; L203-L265 HydrophobicContact CD2-CD2 4.4Å; R204-L265 HydrophobicContact CG-CD1 4.13Å; I230-L265 HydrophobicContact CD1-CD1 4.25Å; I230-L265 HydrophobicContact CG1-CD1 4.3Å; L265-L284 HydrophobicContact CB-CB 4.34Å; L265-L284 WeakPolarHBondContact CB-O 3.15Å; L265-L284 HydrophobicContact CD1-CB 3.93Å; L265-L284 HydrophobicContact CD1-CD1 4.45Å; L265-L284 PolarHBondContact N-O 3.11Å; L265-L284 VanDerWaalsContact N-O 3.1Å; L265-T286 HydrophobicContact CD1-CG2 3.5Å; L265-T286 HydrophobicContact CD2-CG2 4.48Å; L265-T286 HydrophobicContact CG-CG2 3.62Å |
| 266 | P | 59.7 | Low | 61.9 | Low | 66 Ų | 66 | 96.5 Ų | 96.5 | 43% | 0.429 | 59% | 0.586 | S | S | . | * | P | Polyproline II helix | trans | -66.4 | 148.6 | 172.1 | 27.9 | -33.2 | 0 | 0 | 0 | 110.8 | R204 | R204-P266 PolarHBondContact NH2-O 3.46Š|
| 267 | P | 58 | Low | 59.4 | Low | 86 Ų | 86 | 94.1 Ų | 94.1 | 56% | 0.558 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 143.9 | 166.2 | -24 | 34.7 | 0 | 0 | 0 | 111.2 | P269 | P267-P269 WeakPolarHBondContact O-CD 3.38Š|
| 268 | V | 58.2 | Low | 57.4 | Low | 73 Ų | 73 | 96.4 Ų | 96.4 | 44% | 0.442 | 63% | 0.625 | S | S | . | * | P | Polyproline II helix | trans | -84.9 | 121.6 | 177.6 | 178.8 | 0 | 0 | 0 | 0 | 108.6 | L270 | V268-L270 PolarHBondContact O-N 3.43Š|
| 269 | P | 51.8 | Low | 55.4 | Low | 125 Ų | 125 | 101.1 Ų | 101.1 | 81% | 0.812 | 65% | 0.648 | S | S | * | * | trans | -71.1 | 77.5 | 177.7 | -18.7 | 33.9 | 0 | 0 | 0 | 111.9 | P267 G271 | P267-P269 WeakPolarHBondContact O-CD 3.38Å; P269-G271 PolarHBondContact O-N 2.58Å; P269-G271 VanDerWaalsContact O-N 3.14Å | ||
| 270 | L | 50.9 | Low | 54.6 | Low | 129 Ų | 129 | 100.7 Ų | 100.7 | 68% | 0.675 | 65% | 0.648 | S | S | * | * | trans | -71.7 | 108.2 | 178.6 | -150.7 | 75.3 | 0 | 0 | 0 | 108.9 | V268 H272 | V268-L270 PolarHBondContact O-N 3.43Å; L270-H272 VanDerWaalsContact C-N 3.25Å; L270-H272 PolarHBondContact O-N 3.32Å | ||
| 271 | G | 51.6 | Low | 54.3 | Low | 72 Ų | 72 | 98.4 Ų | 98.4 | 74% | 0.742 | 64% | 0.637 | S | S | * | * | trans | -72.6 | 62.9 | -167.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | P269 | P269-G271 PolarHBondContact O-N 2.58Å; P269-G271 VanDerWaalsContact O-N 3.14Å | ||
| 272 | H | 42.9 | Very low | 54 | Low | 156 Ų | 156 | 104.7 Ų | 104.7 | 72% | 0.722 | 66% | 0.663 | S | S | * | * | trans | -128.5 | 117.2 | -179.6 | -60.8 | -36.1 | 0 | 0 | 0 | 111.6 | L270 G274 | L270-H272 VanDerWaalsContact C-N 3.25Å; L270-H272 PolarHBondContact O-N 3.32Å; H272-G274 PolarHBondContact O-N 3.47Å | ||
| 273 | S | 48.6 | Very low | 53.8 | Low | 136 Ų | 136 | 105.6 Ų | 105.6 | 95% | 0.951 | 67% | 0.665 | S | S | * | * | trans | -75.1 | 118.9 | -174.2 | -49.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 274 | G | 44.3 | Very low | 54.2 | Low | 62 Ų | 62 | 103.3 Ų | 103.3 | 64% | 0.639 | 66% | 0.655 | S | S | * | * | trans | -173.3 | 103.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | H272 G276 | H272-G274 PolarHBondContact O-N 3.47Å; G274-G276 VanDerWaalsContact C-N 3.34Å; G274-G276 PolarHBondContact O-N 3.04Å | ||
| 275 | P | 50.9 | Low | 55.1 | Low | 146 Ų | 146 | 99.3 Ų | 99.3 | 95% | 0.948 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -80.8 | 78 | 176.1 | 33.3 | -33.8 | 0 | 0 | 0 | 110.4 | ||
| 276 | G | 47.6 | Very low | 56.3 | Low | 77 Ų | 77 | 98.8 Ų | 98.8 | 79% | 0.794 | 64% | 0.639 | S | S | * | * | trans | -179.9 | 33.7 | -172.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | G274 | G274-G276 VanDerWaalsContact C-N 3.34Å; G274-G276 PolarHBondContact O-N 3.04Å | ||
| 277 | A | 42.8 | Very low | 57.9 | Low | 94 Ų | 94 | 96.2 Ų | 96.2 | 78% | 0.777 | 62% | 0.621 | S | S | * | * | trans | -141.3 | 103.6 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | D279 | A277-D279 PolarHBondContact O-N 3.01Š| ||
| 278 | G | 49.4 | Very low | 59.6 | Low | 91 Ų | 91 | 95.5 Ų | 95.5 | 94% | 0.938 | 61% | 0.608 | S | S | * | * | trans | -91.1 | 90.8 | 166.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 279 | D | 41.1 | Very low | 61.4 | Low | 149 Ų | 149 | 92.1 Ų | 92.1 | 80% | 0.797 | 59% | 0.587 | S | S | * | * | trans | -136.9 | 154 | 173.3 | -139.3 | -25.4 | 0 | 0 | 0 | 109 | A277 E281 | A277-D279 PolarHBondContact O-N 3.01Å; D279-E281 PolarHBondContact O-N 2.94Å; D279-E281 VanDerWaalsContact O-N 3.16Å | ||
| 280 | S | 50.4 | Low | 63.5 | Low | 103 Ų | 103 | 88.4 Ų | 88.4 | 72% | 0.72 | 56% | 0.564 | S | S | * | * | trans | -73.3 | 110.3 | -172.7 | -68.6 | 0 | 0 | 0 | 0 | 111.2 | E282 | S280-E282 VanDerWaalsContact C-N 3.29Å; S280-E282 PolarHBondContact O-N 2.99Å | ||
| 281 | E | 54 | Low | 65.7 | Low | 143 Ų | 143 | 83 Ų | 83 | 67% | 0.668 | 54% | 0.535 | S | S | * | . | trans | -60.2 | 98.3 | 154.9 | -68.8 | -167.7 | 124.8 | 0 | 0 | 107.3 | D279 E283 | D279-E281 PolarHBondContact O-N 2.94Å; D279-E281 VanDerWaalsContact O-N 3.16Å; E281-E283 PolarHBondContact O-N 2.89Å | ||
| 282 | E | 57.3 | Low | 67.8 | Low | 162 Ų | 162 | 81.4 Ų | 81.4 | 76% | 0.757 | 51% | 0.512 | S | S | * | . | trans | -58.1 | 107.6 | 178.9 | -67.8 | -170 | 143.8 | 0 | 0 | 108.6 | S280 L284 | S280-E282 VanDerWaalsContact C-N 3.29Å; S280-E282 PolarHBondContact O-N 2.99Å; E282-L284 VanDerWaalsContact C-N 3.33Å; E282-L284 WeakPolarHBondContact O-CG 3.45Å; E282-L284 PolarHBondContact O-N 2.83Å | ||
| 283 | E | 66 | Low | 70.2 | Confident | 111 Ų | 111 | 74 Ų | 74 | 52% | 0.519 | 48% | 0.477 | S | S | . | . | trans | -69.5 | 92.2 | -174 | -169 | -176.6 | -155 | 0 | 0 | 109.1 | K264 E281 V285 | K264-E283 VanDerWaalsContact CD-OE1 3.3Å; K264-E283 WeakPolarHBondContact CD-OE1 3.28Å; K264-E283 HydrophobicContact CG-CG 4.35Å; K264-E283 IonicContact NZ-OE1 3.63Å; K264-E283 PolarHBondContact NZ-OE1 3.47Å; K264-E283 IonicContact NZ-OE2 3.39Å; K264-E283 PolarHBondContact NZ-OE2 3.26Å; E281-E283 PolarHBondContact O-N 2.89Å; E283-V285 WeakPolarHBondContact O-CG2 3.38Å; E283-V285 PolarHBondContact O-N 2.87Å | ||
| 284 | L | 78.8 | Confident | 72 | Confident | 43 Ų | 43 | 72.1 Ų | 72.1 | 23% | 0.225 | 46% | 0.463 | C | S | . | . | trans | -63.3 | 95.9 | -173.3 | -64.9 | 175.7 | 0 | 0 | 0 | 110.3 | R204 I230 L265 E282 | R204-L284 HydrophobicContact CG-CD1 4.43Å; I230-L284 HydrophobicContact CD1-CD1 4.19Å; I230-L284 HydrophobicContact CG2-CD2 4.13Å; L265-L284 HydrophobicContact CB-CB 4.34Å; L265-L284 WeakPolarHBondContact CB-O 3.15Å; L265-L284 HydrophobicContact CD1-CB 3.93Å; L265-L284 HydrophobicContact CD1-CD1 4.45Å; L265-L284 PolarHBondContact N-O 3.11Å; L265-L284 VanDerWaalsContact N-O 3.1Å; E282-L284 VanDerWaalsContact C-N 3.33Å; E282-L284 WeakPolarHBondContact O-CG 3.45Å; E282-L284 PolarHBondContact O-N 2.83Å | ||
| 285 | V | 87.4 | Confident | 74 | Confident | 50 Ų | 50 | 70.1 Ų | 70.1 | 30% | 0.303 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 139.4 | 171.6 | -165.4 | 0 | 0 | 0 | 0 | 108.5 | S231 L262 E283 | S231-V285 VanDerWaalsContact CB-O 3.24Å; S231-V285 WeakPolarHBondContact CB-O 3.2Å; S231-V285 PolarHBondContact N-O 2.71Å; L262-V285 HydrophobicContact CB-CG1 3.92Å; L262-V285 HydrophobicContact CD2-CG1 3.62Å; L262-V285 HydrophobicContact CG-CG1 4.29Å; E283-V285 WeakPolarHBondContact O-CG2 3.38Å; E283-V285 PolarHBondContact O-N 2.87Å |
| 286 | T | 91 | Very high | 75.5 | Confident | 1 Ų | 1 | 66.1 Ų | 66.1 | 1% | 0.006 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 143.6 | 179.4 | 54.5 | 0 | 0 | 0 | 0 | 110.8 | L203 V229 I230 S261 L262 E263 L265 | L203-T286 HydrophobicContact CD2-CG2 3.83Å; L203-T286 HydrophobicContact CG-CG2 4.46Å; V229-T286 CarbonylContact O-C 3.54Å; V229-T286 WeakPolarHBondContact O-CA 3.16Å; V229-T286 VanDerWaalsContact O-CB 3.27Å; V229-T286 WeakPolarHBondContact O-CB 3.35Å; I230-T286 HydrophobicContact CG1-CG2 3.97Å; S261-T286 VanDerWaalsContact O-O 3.11Å; L262-T286 CarbonylContact C-O 3.57Å; L262-T286 WeakPolarHBondContact CA-O 3.48Å; E263-T286 PolarHBondContact N-O 3.19Å; E263-T286 PolarHBondContact O-N 3.01Å; E263-T286 PolarHBondContact O-OG1 3.32Å; L265-T286 HydrophobicContact CD1-CG2 3.5Å; L265-T286 HydrophobicContact CD2-CG2 4.48Å; L265-T286 HydrophobicContact CG-CG2 3.62Å |
| 287 | E | 92.6 | Very high | 76.8 | Confident | 12 Ų | 12 | 67.7 Ų | 67.7 | 6% | 0.056 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 133.4 | 174.3 | -73.6 | 160 | -83.1 | 0 | 0 | 109.3 | R228 V229 S231 R236 L257 S261 L262 | R228-E287 CarbonylContact C-O 3.52Å; R228-E287 VanDerWaalsContact CA-O 3.26Å; R228-E287 WeakPolarHBondContact CA-O 3.41Å; V229-E287 HydrophobicContact CG2-CB 3.96Å; V229-E287 PolarHBondContact N-O 2.86Å; V229-E287 PolarHBondContact O-N 3.19Å; S231-E287 WeakPolarHBondContact CA-OE1 3.45Å; S231-E287 WeakPolarHBondContact CB-OE1 3.33Å; S231-E287 VanDerWaalsContact OG-CD 3.27Å; S231-E287 PolarHBondContact OG-OE1 2.74Å; R236-E287 WeakPolarHBondContact CD-OE1 3.28Å; R236-E287 IonicContact CZ-OE1 3.19Å; R236-E287 IonicContact CZ-OE2 3.81Å; R236-E287 IonicContact NE-OE1 3.33Å; R236-E287 PolarHBondContact NE-OE1 2.8Å; R236-E287 IonicContact NH1-OE1 2.81Å; R236-E287 PolarHBondContact NH1-OE1 3.07Å; R236-E287 IonicContact NH1-OE2 2.75Å; R236-E287 PolarHBondContact NH1-OE2 2.9Å; L257-E287 HydrophobicContact CD2-CB 3.99Å; S261-E287 WeakPolarHBondContact O-CA 3.46Å; L262-E287 HydrophobicContact CD2-CG 3.47Å; L262-E287 VanDerWaalsContact CD2-CG 3.47Å |
| 288 | R | 94.1 | Very high | 78.1 | Confident | 71 Ų | 71 | 66.2 Ų | 66.2 | 27% | 0.268 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 138.2 | 167.5 | -155.1 | 174.8 | -171.2 | 71.4 | 20 | 110.2 | E211 S226 G227 R228 P258 S261 | E211-R288 IonicContact OE2-CZ 2.81Å; E211-R288 VanDerWaalsContact OE2-CZ 3.25Å; E211-R288 IonicContact OE2-NH1 2.64Å; E211-R288 PolarHBondContact OE2-NH1 3.22Å; E211-R288 IonicContact OE2-NH2 2.83Å; E211-R288 PolarHBondContact OE2-NH2 3.07Å; S226-R288 PolarHBondContact OG-NH2 3.01Å; G227-R288 CarbonylContact O-C 3.52Å; G227-R288 WeakPolarHBondContact O-CA 3.43Å; G227-R288 VanDerWaalsContact O-CG 3.23Å; G227-R288 WeakPolarHBondContact O-CG 3.24Å; R228-R288 HydrophobicContact CG-CB 4.48Å; R228-R288 HydrophobicContact CG-CG 4.47Å; P258-R288 VanDerWaalsContact CD-O 3.31Å; P258-R288 WeakPolarHBondContact CD-O 3.47Å; S261-R288 PolarHBondContact O-N 3.47Å |
| 289 | F | 95.6 | Very high | 79.3 | Confident | 1 Ų | 1 | 63.4 Ų | 63.4 | 0% | 0.004 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 155.6 | 171.4 | 71.2 | -92.9 | 0 | 0 | 0 | 111.5 | V208 L210 S226 G227 V229 V238 A255 E256 L257 F291 V318 | V208-F289 HydrophobicContact CG2-CE1 4.08Å; V208-F289 HydrophobicContact CG2-CZ 4.41Å; L210-F289 HydrophobicContact CD1-CE2 4.49Å; L210-F289 HydrophobicContact CD1-CZ 4.39Å; S226-F289 WeakPolarHBondContact CA-O 3.4Å; S226-F289 WeakPolarHBondContact CB-O 3.28Å; G227-F289 VanDerWaalsContact CA-CE1 3.46Å; G227-F289 PolarHBondContact N-O 3.44Å; G227-F289 WeakPolarHBondContact O-CD1 3.41Å; G227-F289 PolarHBondContact O-N 3.27Å; V229-F289 HydrophobicContact CG1-CD1 3.97Å; V229-F289 HydrophobicContact CG1-CE1 4.24Å; V238-F289 HydrophobicContact CG1-CB 4.47Å; V238-F289 HydrophobicContact CG1-CD1 4.4Å; V238-F289 HydrophobicContact CG1-CD2 3.89Å; V238-F289 HydrophobicContact CG1-CE2 4.19Å; V238-F289 HydrophobicContact CG1-CG 4.01Å; V238-F289 HydrophobicContact CG2-CB 4.33Å; V238-F289 HydrophobicContact CG2-CD1 4.47Å; V238-F289 HydrophobicContact CG2-CG 4.4Å; A255-F289 HydrophobicContact CB-CD2 4.04Å; E256-F289 WeakPolarHBondContact O-CA 3.17Å; E256-F289 WeakPolarHBondContact O-CB 3.37Å; L257-F289 HydrophobicContact CD2-CB 3.81Å; F289-F291 HydrophobicContact CD2-CD1 4.22Å; F289-F291 AromaticContact CE2-CD1 3.93Å; F289-F291 HydrophobicContact CE2-CD1 3.93Å; F289-F291 HydrophobicContact CE2-CE1 4.07Å; F289-V318 HydrophobicContact CE1-CG1 4.49Å; F289-V318 HydrophobicContact CE2-CG1 3.95Å; F289-V318 HydrophobicContact CE2-CG2 4.44Å; F289-V318 HydrophobicContact CZ-CG1 3.77Å; F289-V318 HydrophobicContact CZ-CG2 4.27Å |
| 290 | C | 96.6 | Very high | 80.8 | Confident | 48 Ų | 48 | 58.9 Ų | 58.9 | 32% | 0.324 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 153.8 | 172.7 | 52.6 | 0 | 0 | 0 | 0 | 112.3 | G225 A255 E256 | G225-C290 VanDerWaalsContact O-CA 3.28Å; G225-C290 WeakPolarHBondContact O-CA 3.23Å; A255-C290 CarbonylContact C-O 3.53Å; A255-C290 WeakPolarHBondContact CA-O 3.49Å; A255-C290 WeakPolarHBondContact CB-O 3.38Å; E256-C290 PolarHBondContact N-O 3.03Å; E256-C290 PolarHBondContact O-N 3.26Å |
| 291 | F | 96.3 | Very high | 81.6 | Confident | 15 Ų | 15 | 55.6 Ų | 55.6 | 7% | 0.066 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 163.3 | 179.4 | 65.6 | -89.1 | 0 | 0 | 0 | 112.2 | L210 T224 G225 V240 A255 F289 L293 F316 | L210-F291 HydrophobicContact CD1-CE1 3.7Å; L210-F291 HydrophobicContact CD1-CZ 4.1Å; T224-F291 VanDerWaalsContact CA-O 3.26Å; T224-F291 WeakPolarHBondContact CA-O 3.43Å; G225-F291 PolarHBondContact N-O 3.48Å; G225-F291 WeakPolarHBondContact O-CD1 3.37Å; G225-F291 PolarHBondContact O-N 3.04Å; V240-F291 HydrophobicContact CB-CD2 4.4Å; V240-F291 HydrophobicContact CB-CG 4.49Å; V240-F291 HydrophobicContact CG1-CD2 4.44Å; V240-F291 HydrophobicContact CG1-CE2 4.26Å; V240-F291 HydrophobicContact CG2-CB 4.04Å; V240-F291 HydrophobicContact CG2-CD1 3.64Å; V240-F291 HydrophobicContact CG2-CD2 3.9Å; V240-F291 HydrophobicContact CG2-CE1 3.97Å; V240-F291 HydrophobicContact CG2-CE2 4.22Å; V240-F291 HydrophobicContact CG2-CG 3.59Å; V240-F291 HydrophobicContact CG2-CZ 4.25Å; A255-F291 HydrophobicContact CB-CB 3.95Å; F289-F291 HydrophobicContact CD2-CD1 4.22Å; F289-F291 AromaticContact CE2-CD1 3.93Å; F289-F291 HydrophobicContact CE2-CD1 3.93Å; F289-F291 HydrophobicContact CE2-CE1 4.07Å; F291-L293 HydrophobicContact CD2-CD2 3.75Å; F291-L293 HydrophobicContact CD2-CG 3.86Å; F291-L293 HydrophobicContact CE2-CD1 4.1Å; F291-L293 HydrophobicContact CE2-CD2 4.11Å; F291-L293 HydrophobicContact CE2-CG 3.87Å; F291-F316 HydrophobicContact CE2-CE2 4.37Å; F291-F316 AromaticContact CZ-CE2 3.81Å; F291-F316 HydrophobicContact CZ-CE2 3.81Å; F291-F316 HydrophobicContact CZ-CZ 4.24Å |
| 292 | S | 95.3 | Very high | 82 | Confident | 38 Ų | 38 | 55.3 Ų | 55.3 | 27% | 0.266 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 138.7 | 166.1 | 178.1 | 0 | 0 | 0 | 0 | 110.2 | E222 V223 | E222-S292 VanDerWaalsContact CD-OG 3.31Å; E222-S292 WeakPolarHBondContact CG-OG 3.12Å; E222-S292 WeakPolarHBondContact OE1-CB 3.43Å; E222-S292 PolarHBondContact OE1-OG 2.96Å; V223-S292 CarbonylContact O-C 3.51Å; V223-S292 WeakPolarHBondContact O-CA 3.2Å |
| 293 | L | 93.8 | Very high | 81.9 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 120.6 | 174.7 | -45.8 | 179.4 | 0 | 0 | 0 | 110.2 | V223 V240 Y242 V253 F291 L295 F316 | V223-L293 HydrophobicContact CB-CB 4.19Å; V223-L293 HydrophobicContact CB-CD1 4.41Å; V223-L293 HydrophobicContact CB-CG 4.41Å; V223-L293 HydrophobicContact CG1-CD1 4.25Å; V223-L293 PolarHBondContact N-O 3.12Å; V223-L293 PolarHBondContact O-N 3.21Å; V240-L293 HydrophobicContact CB-CD2 4.13Å; V240-L293 HydrophobicContact CG1-CD1 4.34Å; V240-L293 HydrophobicContact CG1-CD2 3.89Å; Y242-L293 HydrophobicContact CD1-CD1 4.42Å; Y242-L293 HydrophobicContact CD1-CD2 3.79Å; Y242-L293 HydrophobicContact CE1-CD2 3.96Å; Y242-L293 HydrophobicContact CG-CD1 4.16Å; Y242-L293 HydrophobicContact CG-CD2 4.34Å; V253-L293 HydrophobicContact CB-CD2 4.45Å; V253-L293 HydrophobicContact CG1-CD2 4.49Å; F291-L293 HydrophobicContact CD2-CD2 3.75Å; F291-L293 HydrophobicContact CD2-CG 3.86Å; F291-L293 HydrophobicContact CE2-CD1 4.1Å; F291-L293 HydrophobicContact CE2-CD2 4.11Å; F291-L293 HydrophobicContact CE2-CG 3.87Å; L293-L295 PolarHBondContact O-N 3.1Å; L293-F316 HydrophobicContact CD1-CB 4.46Å; L293-F316 HydrophobicContact CD1-CD1 4.32Å; L293-F316 HydrophobicContact CD1-CG 4.31Å |
| 294 | C | 87.3 | Confident | 81.5 | Confident | 97 Ų | 97 | 54 Ų | 54 | 66% | 0.655 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 118 | 175.5 | -61.5 | 0 | 0 | 0 | 0 | 110.6 | P296 | C294-P296 WeakPolarHBondContact O-CD 3.15Å |
| 295 | L | 86.3 | Confident | 80.5 | Confident | 20 Ų | 20 | 56.4 Ų | 56.4 | 11% | 0.105 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -93.8 | 123.6 | 177 | -54.7 | -170.2 | 0 | 0 | 0 | 111.3 | L187 A221 V223 F244 L293 I314 | L187-L295 HydrophobicContact CD2-CD1 3.48Å; L187-L295 VanDerWaalsContact CD2-CD1 3.48Å; A221-L295 HydrophobicContact CB-CD1 4.21Å; A221-L295 WeakPolarHBondContact O-CB 3.5Å; V223-L295 HydrophobicContact CG2-CD1 3.99Å; V223-L295 HydrophobicContact CG2-CD2 4.35Å; V223-L295 HydrophobicContact CG2-CG 4.38Å; F244-L295 HydrophobicContact CE1-CD2 3.95Å; F244-L295 HydrophobicContact CZ-CD2 4.04Å; L293-L295 PolarHBondContact O-N 3.1Å; L295-I314 HydrophobicContact CD1-CD1 3.81Å; L295-I314 HydrophobicContact CD2-CD1 3.89Å; L295-I314 HydrophobicContact CG-CD1 4.5Å |
| 296 | P | 82.1 | Confident | 79 | Confident | 62 Ų | 62 | 57 Ų | 57 | 40% | 0.403 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -52.4 | 131.9 | 171.3 | -28.8 | 33.3 | 0 | 0 | 0 | 112.4 | F244 C294 G298 L299 | F244-P296 HydrophobicContact CE2-CG 3.96Å; F244-P296 HydrophobicContact CZ-CG 4.38Å; C294-P296 WeakPolarHBondContact O-CD 3.15Å; P296-G298 PolarHBondContact O-N 3.24Å; P296-L299 HydrophobicContact CB-CD1 4.33Å; P296-L299 HydrophobicContact CB-CG 4.24Å; P296-L299 HydrophobicContact CG-CD1 4.2Å; P296-L299 WeakPolarHBondContact O-CB 3.34Å; P296-L299 PolarHBondContact O-N 3.13Å |
| 297 | P | 73.9 | Confident | 77.2 | Confident | 110 Ų | 110 | 60.7 Ų | 60.7 | 71% | 0.714 | 38% | 0.383 | S | S | * | . | G | 310 helix | trans | -56.2 | -29.7 | -176.6 | -29.3 | 35.8 | 0 | 0 | 0 | 114.8 | L299 Q300 | P297-L299 PolarHBondContact O-N 2.85Å; P297-Q300 PolarHBondContact O-N 3.12Å |
| 298 | G | 71.5 | Confident | 75.2 | Confident | 64 Ų | 64 | 67.7 Ų | 67.7 | 66% | 0.66 | 42% | 0.421 | S | S | * | . | G | 310 helix | trans | -70.4 | -4.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | P296 | P296-G298 PolarHBondContact O-N 3.24Š|
| 299 | L | 75.1 | Confident | 73.2 | Confident | 32 Ų | 32 | 66.9 Ų | 66.9 | 17% | 0.168 | 43% | 0.43 | C | S | . | . | G | 310 helix | trans | -84.5 | -15 | 171.6 | -61.5 | 176.3 | 0 | 0 | 0 | 113.1 | F244 P296 P297 V312 Y340 | F244-L299 HydrophobicContact CB-CD2 4.42Å; F244-L299 HydrophobicContact CD1-CD1 3.42Å; F244-L299 VanDerWaalsContact CD1-CD1 3.42Å; F244-L299 HydrophobicContact CD1-CD2 4.47Å; F244-L299 HydrophobicContact CD2-CD1 4.17Å; F244-L299 HydrophobicContact CE1-CD1 3.31Å; F244-L299 HydrophobicContact CE2-CD1 4.08Å; F244-L299 HydrophobicContact CG-CD1 3.85Å; F244-L299 HydrophobicContact CG-CD2 4.4Å; F244-L299 HydrophobicContact CZ-CD1 3.65Å; P296-L299 HydrophobicContact CB-CD1 4.33Å; P296-L299 HydrophobicContact CB-CG 4.24Å; P296-L299 HydrophobicContact CG-CD1 4.2Å; P296-L299 WeakPolarHBondContact O-CB 3.34Å; P296-L299 PolarHBondContact O-N 3.13Å; P297-L299 PolarHBondContact O-N 2.85Å; L299-V312 HydrophobicContact CD2-CG1 3.99Å; L299-Y340 HydrophobicContact CB-CE2 4.46Å; L299-Y340 WeakPolarHBondContact O-CE2 3.43Å |
| 300 | Q | 70.8 | Confident | 71.6 | Confident | 53 Ų | 53 | 69.2 Ų | 69.2 | 25% | 0.248 | 44% | 0.439 | C | S | . | . | S | Bend | trans | -73.8 | 133.4 | 177.3 | -64.9 | -175.3 | 17 | 0 | 0 | 109.6 | P219 A221 P297 Q302 | P219-Q300 PolarHBondContact O-NE2 2.95Å; A221-Q300 HydrophobicContact CB-CG 4.49Å; P297-Q300 PolarHBondContact O-N 3.12Å; Q300-Q302 PolarHBondContact O-N 2.73Å; Q300-Q302 VanDerWaalsContact O-N 3.12Å |
| 301 | P | 67.4 | Low | 70.3 | Confident | 35 Ų | 35 | 72.3 Ų | 72.3 | 23% | 0.227 | 45% | 0.452 | C | S | . | . | P | Polyproline II helix | trans | -58.8 | 117.4 | 179.4 | -30.2 | 37.9 | 0 | 0 | 0 | 113.6 | A185 W310 Y340 | A185-P301 HydrophobicContact CB-CB 4.04Å; A185-P301 HydrophobicContact CB-CG 3.71Å; P301-W310 VanDerWaalsContact CA-CH2 3.44Å; P301-W310 VanDerWaalsContact CA-CZ3 3.42Å; P301-W310 HydrophobicContact CB-CD2 4.17Å; P301-W310 HydrophobicContact CB-CE3 3.89Å; P301-W310 HydrophobicContact CB-CH2 3.73Å; P301-W310 HydrophobicContact CB-CZ2 3.91Å; P301-W310 HydrophobicContact CB-CZ3 3.73Å; P301-W310 HydrophobicContact CG-CD2 4.47Å; P301-W310 HydrophobicContact CG-CE3 4.03Å; P301-W310 HydrophobicContact CG-CZ3 4.22Å; P301-Y340 HydrophobicContact CG-CD1 4.3Å; P301-Y340 HydrophobicContact CG-CD2 4.36Å; P301-Y340 HydrophobicContact CG-CG 3.92Å |
| 302 | Q | 62 | Low | 69.5 | Low | 136 Ų | 136 | 74.2 Ų | 74.2 | 64% | 0.636 | 46% | 0.464 | S | S | * | . | P | Polyproline II helix | trans | -73.4 | 153.5 | 175.8 | -62.7 | -168.8 | 37.3 | 0 | 0 | 112.1 | Q300 G304 W310 | Q300-Q302 PolarHBondContact O-N 2.73Å; Q300-Q302 VanDerWaalsContact O-N 3.12Å; Q302-G304 PolarHBondContact O-N 3.4Å; Q302-G304 VanDerWaalsContact O-N 3.15Å; Q302-W310 HydrophobicContact CB-CH2 4.46Å |
| 303 | E | 56.3 | Low | 69.2 | Low | 167 Ų | 167 | 72.6 Ų | 72.6 | 78% | 0.78 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | 100.4 | -176.2 | -172 | 164.8 | -143.5 | 0 | 0 | 111 | ||
| 304 | G | 57.5 | Low | 69.2 | Low | 78 Ų | 78 | 72.6 Ų | 72.6 | 80% | 0.804 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 135.2 | -19.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q302 | Q302-G304 PolarHBondContact O-N 3.4Å; Q302-G304 VanDerWaalsContact O-N 3.15Å |
| 305 | D | 57.9 | Low | 69.6 | Low | 95 Ų | 95 | 69.1 Ų | 69.1 | 51% | 0.508 | 43% | 0.427 | S | S | . | . | trans | -73 | 138.2 | -176.2 | -109.6 | -34.4 | 0 | 0 | 0 | 112.6 | W310 R342 | D305-W310 HydrophobicContact CB-CH2 3.51Å; D305-W310 HydrophobicContact CB-CZ2 3.08Å; D305-W310 PolarHBondContact O-NE1 2.84Å; D305-R342 PolarHBondContact O-NH2 3.13Å | ||
| 306 | A | 55.7 | Low | 70.1 | Confident | 63 Ų | 63 | 68.1 Ų | 68.1 | 52% | 0.521 | 42% | 0.422 | S | S | . | . | trans | -60.5 | 154.6 | -166.9 | 0 | 0 | 0 | 0 | 0 | 114 | D308 A309 W310 | A306-D308 PolarHBondContact O-N 2.86Å; A306-D308 VanDerWaalsContact O-N 3.13Å; A306-A309 WeakPolarHBondContact O-CB 3.47Å; A306-A309 PolarHBondContact O-N 2.95Å; A306-W310 PolarHBondContact O-NE1 2.79Å | ||
| 307 | A | 53.9 | Low | 70.9 | Confident | 77 Ų | 77 | 65.3 Ų | 65.3 | 64% | 0.636 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -54.5 | -36.6 | -173 | 0 | 0 | 0 | 0 | 0 | 114.2 | A309 | A307-A309 VanDerWaalsContact C-N 3.34Å; A307-A309 PolarHBondContact O-N 3.45Å |
| 308 | D | 51 | Low | 72 | Confident | 159 Ų | 159 | 60 Ų | 60 | 85% | 0.85 | 37% | 0.37 | S | S | * | . | G | 310 helix | trans | -82.2 | -5.4 | -177.3 | -49 | -66.4 | 0 | 0 | 0 | 114.3 | A306 W310 | A306-D308 PolarHBondContact O-N 2.86Å; A306-D308 VanDerWaalsContact O-N 3.13Å; D308-W310 VanDerWaalsContact C-N 3.27Å; D308-W310 PolarHBondContact O-N 3.47Å |
| 309 | A | 50.8 | Low | 73.3 | Confident | 54 Ų | 54 | 57.1 Ų | 57.1 | 45% | 0.446 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | -81.1 | 1.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | A306 A307 | A306-A309 WeakPolarHBondContact O-CB 3.47Å; A306-A309 PolarHBondContact O-N 2.95Å; A307-A309 VanDerWaalsContact C-N 3.34Å; A307-A309 PolarHBondContact O-N 3.45Å |
| 310 | W | 61.6 | Low | 74.3 | Confident | 51 Ų | 51 | 55.6 Ų | 55.6 | 19% | 0.193 | 33% | 0.331 | C | S | . | . | trans | -117.6 | 17.1 | -156.9 | -59.6 | 102.9 | 0 | 0 | 0 | 116.7 | P301 Q302 D305 A306 D308 V312 | P301-W310 VanDerWaalsContact CA-CH2 3.44Å; P301-W310 VanDerWaalsContact CA-CZ3 3.42Å; P301-W310 HydrophobicContact CB-CD2 4.17Å; P301-W310 HydrophobicContact CB-CE3 3.89Å; P301-W310 HydrophobicContact CB-CH2 3.73Å; P301-W310 HydrophobicContact CB-CZ2 3.91Å; P301-W310 HydrophobicContact CB-CZ3 3.73Å; P301-W310 HydrophobicContact CG-CD2 4.47Å; P301-W310 HydrophobicContact CG-CE3 4.03Å; P301-W310 HydrophobicContact CG-CZ3 4.22Å; Q302-W310 HydrophobicContact CB-CH2 4.46Å; D305-W310 HydrophobicContact CB-CH2 3.51Å; D305-W310 HydrophobicContact CB-CZ2 3.08Å; D305-W310 PolarHBondContact O-NE1 2.84Å; A306-W310 PolarHBondContact O-NE1 2.79Å; D308-W310 VanDerWaalsContact C-N 3.27Å; D308-W310 PolarHBondContact O-N 3.47Å; W310-V312 PolarHBondContact O-N 3.15Å | ||
| 311 | D | 69 | Low | 75.6 | Confident | 112 Ų | 112 | 58 Ų | 58 | 60% | 0.599 | 34% | 0.338 | S | S | * | . | trans | -76.7 | 51.9 | 172.8 | -159.1 | 14.3 | 0 | 0 | 0 | 112.8 | A313 R339 | D311-A313 PolarHBondContact O-N 3.43Å; D311-R339 VanDerWaalsContact CG-NH2 3.25Å; D311-R339 IonicContact OD1-CZ 2.63Å; D311-R339 IonicContact OD1-NE 2.93Å; D311-R339 PolarHBondContact OD1-NE 2.86Å; D311-R339 IonicContact OD1-NH2 3.8Å; D311-R339 PolarHBondContact OD1-NH2 2.81Å; D311-R339 IonicContact OD2-NH2 2.63Å; D311-R339 PolarHBondContact OD2-NH2 3.32Å | ||
| 312 | V | 79.6 | Confident | 76.9 | Confident | 55 Ų | 55 | 57.1 Ų | 57.1 | 33% | 0.333 | 33% | 0.333 | S | S | . | . | trans | -88.2 | 91.5 | 170.7 | -178.4 | 0 | 0 | 0 | 0 | 107.4 | L299 W310 | L299-V312 HydrophobicContact CD2-CG1 3.99Å; W310-V312 PolarHBondContact O-N 3.15Å | ||
| 313 | A | 89.4 | Confident | 78.3 | Confident | 4 Ų | 4 | 56.9 Ų | 56.9 | 3% | 0.033 | 33% | 0.332 | C | S | . | . | trans | -80.3 | 145.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | D311 H315 T337 R339 | D311-A313 PolarHBondContact O-N 3.43Å; A313-H315 VanDerWaalsContact CB-NE2 3.28Å; A313-H315 WeakPolarHBondContact CB-NE2 3.26Å; A313-T337 HydrophobicContact CB-CG2 4.19Å; A313-R339 HydrophobicContact CB-CG 4.38Å | ||
| 314 | I | 93.3 | Very high | 79.9 | Confident | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 113.2 | 168.5 | -46.9 | 176.9 | 0 | 0 | 0 | 106.7 | L187 F244 L295 T337 L338 | L187-I314 HydrophobicContact CD1-CD1 3.81Å; L187-I314 HydrophobicContact CD2-CD1 4.13Å; F244-I314 HydrophobicContact CD1-CB 4.29Å; F244-I314 HydrophobicContact CD1-CG1 3.95Å; F244-I314 HydrophobicContact CD1-CG2 3.85Å; F244-I314 HydrophobicContact CE1-CB 4.33Å; F244-I314 HydrophobicContact CE1-CD1 4.12Å; F244-I314 HydrophobicContact CE1-CG1 4.01Å; F244-I314 HydrophobicContact CE1-CG2 3.56Å; L295-I314 HydrophobicContact CD1-CD1 3.81Å; L295-I314 HydrophobicContact CD2-CD1 3.89Å; L295-I314 HydrophobicContact CG-CD1 4.5Å; I314-T337 CarbonylContact O-C 3.5Å; I314-T337 WeakPolarHBondContact O-CA 3.2Å; I314-L338 HydrophobicContact CB-CB 4.15Å; I314-L338 PolarHBondContact N-O 3.02Å; I314-L338 PolarHBondContact O-N 3.36Å |
| 315 | H | 95.9 | Very high | 81.6 | Confident | 23 Ų | 23 | 50.7 Ų | 50.7 | 11% | 0.106 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 141.9 | 176.7 | -57.5 | -79 | 0 | 0 | 0 | 110.4 | Y242 T243 E246 W247 A313 N335 Y336 T337 | Y242-H315 CarbonylContact C-O 3.49Å; Y242-H315 WeakPolarHBondContact CA-O 3.45Å; T243-H315 HydrophobicContact CG2-CB 3.76Å; T243-H315 PolarHBondContact N-O 3.3Å; T243-H315 PolarHBondContact O-N 3.03Å; T243-H315 VanDerWaalsContact O-N 3.14Å; E246-H315 IonicContact OE1-CD2 3.97Å; E246-H315 IonicContact OE1-NE2 2.8Å; E246-H315 PolarHBondContact OE1-NE2 3.22Å; E246-H315 IonicContact OE2-NE2 3.77Å; W247-H315 HydrophobicContact CZ2-CB 3.84Å; A313-H315 VanDerWaalsContact CB-NE2 3.28Å; A313-H315 WeakPolarHBondContact CB-NE2 3.26Å; H315-N335 HydrophobicContact CB-CB 4.37Å; H315-Y336 CarbonylContact C-O 3.59Å; H315-Y336 WeakPolarHBondContact CA-O 3.47Å; H315-T337 VanDerWaalsContact CE1-CG2 3.44Å; H315-T337 WeakPolarHBondContact CE1-CG2 3.45Å; H315-T337 PolarHBondContact CE1-OG1 2.84Å; H315-T337 VanDerWaalsContact CE1-OG1 3.28Å; H315-T337 PolarHBondContact ND1-OG1 3.28Å |
| 316 | F | 97.7 | Very high | 83.5 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 162 | 169.7 | 71.2 | -88.6 | 0 | 0 | 0 | 113.6 | L210 V213 V240 R241 F291 L293 Y336 L338 | L210-F316 HydrophobicContact CD2-CE2 3.69Å; L210-F316 HydrophobicContact CD2-CZ 3.95Å; V213-F316 HydrophobicContact CG1-CZ 4.3Å; V213-F316 HydrophobicContact CG2-CZ 3.95Å; V240-F316 HydrophobicContact CG1-CB 4.03Å; V240-F316 HydrophobicContact CG1-CD2 3.66Å; V240-F316 HydrophobicContact CG1-CE2 4.48Å; V240-F316 HydrophobicContact CG1-CG 4.18Å; R241-F316 CarbonylContact O-C 3.54Å; R241-F316 WeakPolarHBondContact O-CA 3.2Å; R241-F316 VanDerWaalsContact O-CB 3.3Å; R241-F316 WeakPolarHBondContact O-CB 3.46Å; F291-F316 HydrophobicContact CE2-CE2 4.37Å; F291-F316 AromaticContact CZ-CE2 3.81Å; F291-F316 HydrophobicContact CZ-CE2 3.81Å; F291-F316 HydrophobicContact CZ-CZ 4.24Å; L293-F316 HydrophobicContact CD1-CB 4.46Å; L293-F316 HydrophobicContact CD1-CD1 4.32Å; L293-F316 HydrophobicContact CD1-CG 4.31Å; F316-Y336 WeakPolarHBondContact CD1-O 3.35Å; F316-Y336 HydrophobicContact CD2-CD2 4.26Å; F316-Y336 HydrophobicContact CD2-CG 4.41Å; F316-Y336 HydrophobicContact CE2-CD2 4.05Å; F316-Y336 AromaticContact CE2-CG 3.99Å; F316-Y336 HydrophobicContact CE2-CG 3.99Å; F316-Y336 VanDerWaalsContact CZ-CB 3.44Å; F316-Y336 HydrophobicContact CZ-CG 4.11Å; F316-Y336 PolarHBondContact N-O 3.33Å; F316-Y336 WeakPolarHBondContact O-CB 3.45Å; F316-Y336 PolarHBondContact O-N 3.13Å; F316-L338 HydrophobicContact CE1-CD1 4.15Å; F316-L338 HydrophobicContact CE1-CD2 4.19Å; F316-L338 HydrophobicContact CE1-CG 4.13Å |
| 317 | A | 97.9 | Very high | 85.5 | Confident | 2 Ų | 2 | 50.5 Ų | 50.5 | 2% | 0.017 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 150.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | R241 W247 W328 D329 N330 | R241-A317 PolarHBondContact N-O 3.2Å; R241-A317 PolarHBondContact O-N 3.39Å; W247-A317 HydrophobicContact CH2-CB 4Å; A317-W328 HydrophobicContact CB-CE3 4.05Å; A317-W328 HydrophobicContact CB-CZ3 4.17Å; A317-D329 CarbonylContact C-O 3.58Å; A317-D329 WeakPolarHBondContact CA-O 3.22Å; A317-N330 HydrophobicContact CB-CB 3.96Å |
| 318 | V | 98.1 | Very high | 87.5 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 127.8 | 178.2 | -168.2 | 0 | 0 | 0 | 0 | 109.6 | V208 L210 V238 V240 F289 W328 D329 | V208-V318 HydrophobicContact CG2-CB 4.14Å; V208-V318 HydrophobicContact CG2-CG1 3.77Å; L210-V318 HydrophobicContact CD1-CG2 4.34Å; V238-V318 HydrophobicContact CG1-CG1 3.52Å; V240-V318 HydrophobicContact CG2-CG1 4.41Å; V240-V318 HydrophobicContact CG2-CG2 4.31Å; F289-V318 HydrophobicContact CE1-CG1 4.49Å; F289-V318 HydrophobicContact CE2-CG1 3.95Å; F289-V318 HydrophobicContact CE2-CG2 4.44Å; F289-V318 HydrophobicContact CZ-CG1 3.77Å; F289-V318 HydrophobicContact CZ-CG2 4.27Å; V318-W328 WeakPolarHBondContact O-CA 3.26Å; V318-D329 HydrophobicContact CB-CB 4.28Å; V318-D329 PolarHBondContact N-O 3.18Å; V318-D329 PolarHBondContact O-N 3.22Å |
| 319 | C | 97.9 | Very high | 89.7 | Confident | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.014 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 130.8 | 173.1 | 176.6 | 0 | 0 | 0 | 0 | 109.3 | V238 T239 E326 Y327 W328 | V238-C319 CarbonylContact C-O 3.56Å; V238-C319 WeakPolarHBondContact CA-O 3.43Å; T239-C319 PolarHBondContact N-O 2.63Å; T239-C319 WeakPolarHBondContact O-CB 3.5Å; T239-C319 PolarHBondContact O-N 3.02Å; C319-E326 VanDerWaalsContact SG-CG 3.56Å; C319-Y327 CarbonylContact C-O 3.52Å; C319-Y327 WeakPolarHBondContact CA-O 3.4Å; C319-W328 HydrophobicContact CB-CD2 4.13Å; C319-W328 HydrophobicContact CB-CE3 3.95Å; C319-W328 HydrophobicContact CB-CH2 3.63Å; C319-W328 HydrophobicContact CB-CZ2 3.81Å; C319-W328 HydrophobicContact CB-CZ3 3.71Å |
| 320 | Y | 97.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 132 | 167.8 | 175.4 | -126.6 | 0 | 0 | 0 | 109.8 | R207 V229 I230 Y232 R236 A237 V238 C322 E326 Y327 | R207-Y320 HydrophobicContact CB-CD1 4.27Å; V229-Y320 HydrophobicContact CB-CD1 4.16Å; V229-Y320 HydrophobicContact CB-CD2 4.03Å; V229-Y320 HydrophobicContact CB-CE1 4.18Å; V229-Y320 HydrophobicContact CB-CE2 4.03Å; V229-Y320 HydrophobicContact CB-CG 4.09Å; V229-Y320 HydrophobicContact CG1-CD1 4.25Å; V229-Y320 HydrophobicContact CG1-CD2 3.75Å; V229-Y320 HydrophobicContact CG1-CE2 4.24Å; V229-Y320 HydrophobicContact CG1-CG 3.75Å; V229-Y320 HydrophobicContact CG2-CD2 4.24Å; V229-Y320 HydrophobicContact CG2-CE2 3.89Å; I230-Y320 WeakPolarHBondContact O-CE1 3.43Å; I230-Y320 PolarHBondContact O-OH 2.85Å; Y232-Y320 HydrophobicContact CD2-CE1 4.36Å; R236-Y320 HydrophobicContact CB-CE2 4.21Å; R236-Y320 HydrophobicContact CG-CE2 4.46Å; A237-Y320 WeakPolarHBondContact O-CD2 3.44Å; V238-Y320 HydrophobicContact CG2-CD2 3.67Å; V238-Y320 HydrophobicContact CG2-CE2 4.41Å; V238-Y320 HydrophobicContact CG2-CG 4.48Å; Y320-C322 HydrophobicContact CE1-CB 4.09Å; Y320-C322 HydrophobicContact CE2-CB 4.45Å; Y320-E326 WeakPolarHBondContact O-CA 3.15Å; Y320-Y327 HydrophobicContact CD1-CD2 4.01Å; Y320-Y327 PolarHBondContact N-O 2.94Å; Y320-Y327 PolarHBondContact O-N 3.03Å |
| 321 | R | 96.8 | Very high | 93.4 | Very high | 103 Ų | 103 | 41.9 Ų | 41.9 | 39% | 0.389 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 131.6 | 177 | -68.1 | 176.9 | -179.8 | 147.7 | 4.8 | 110 | R236 A237 E326 | R236-R321 WeakPolarHBondContact CA-O 3.28Å; A237-R321 PolarHBondContact N-O 2.93Å; A237-R321 PolarHBondContact O-N 3.24Å; R321-E326 HydrophobicContact CG-CB 4.29Å; R321-E326 HydrophobicContact CG-CG 3.98Å; R321-E326 IonicContact CZ-OE1 3.15Å; R321-E326 IonicContact NE-OE1 2.73Å; R321-E326 PolarHBondContact NE-OE1 3.15Å; R321-E326 IonicContact NH2-OE1 2.71Å; R321-E326 PolarHBondContact NH2-OE1 3.37Å |
| 322 | C | 94.2 | Very high | 94.4 | Very high | 18 Ų | 18 | 44 Ų | 44 | 12% | 0.122 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | -178.4 | 172.7 | 59 | 0 | 0 | 0 | 0 | 109.6 | Y320 Q324 G325 | Y320-C322 HydrophobicContact CE1-CB 4.09Å; Y320-C322 HydrophobicContact CE2-CB 4.45Å; C322-Q324 PolarHBondContact O-N 2.89Å; C322-Q324 VanDerWaalsContact O-N 3.1Å; C322-Q324 PolarHBondContact SG-OE1 3.05Å; C322-G325 PolarHBondContact N-O 3.35Å; C322-G325 VanDerWaalsContact N-O 3.11Å; C322-G325 PolarHBondContact O-N 3.19Å; C322-G325 VanDerWaalsContact O-N 3.11Å |
| 323 | E | 91.6 | Very high | 95 | Very high | 130 Ų | 130 | 43.5 Ų | 43.5 | 61% | 0.607 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -23.3 | -179.2 | -58.6 | -170.7 | 163.7 | 0 | 0 | 113.5 | G234 P235 | G234-E323 WeakPolarHBondContact CA-OE1 3.43Å; P235-E323 VanDerWaalsContact CD-OE1 3.28Å; P235-E323 WeakPolarHBondContact CD-OE1 3.31Å; P235-E323 HydrophobicContact CG-CG 4.43Å |
| 324 | Q | 90.6 | Very high | 95.1 | Very high | 82 Ų | 82 | 45.7 Ų | 45.7 | 38% | 0.383 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -12.8 | -177.9 | -61.2 | 68.5 | 28.7 | 0 | 0 | 112.9 | Y232 C322 Y327 | Y232-Q324 VanDerWaalsContact CB-CD 3.48Å; Y232-Q324 HydrophobicContact CD1-CG 4.13Å; Y232-Q324 HydrophobicContact CE1-CG 4.49Å; Y232-Q324 HydrophobicContact CG-CG 4.15Å; Y232-Q324 VanDerWaalsContact CG-OE1 3.27Å; C322-Q324 PolarHBondContact O-N 2.89Å; C322-Q324 VanDerWaalsContact O-N 3.1Å; C322-Q324 PolarHBondContact SG-OE1 3.05Å; Q324-Y327 HydrophobicContact CB-CE2 4.44Å; Q324-Y327 WeakPolarHBondContact CB-OH 3.41Å; Q324-Y327 PolarHBondContact O-OH 3.24Å |
| 325 | G | 94.1 | Very high | 95.1 | Very high | 33 Ų | 33 | 47.2 Ų | 47.2 | 34% | 0.34 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 142.5 | -163.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115 | C322 | C322-G325 PolarHBondContact N-O 3.35Å; C322-G325 VanDerWaalsContact N-O 3.11Å; C322-G325 PolarHBondContact O-N 3.19Å; C322-G325 VanDerWaalsContact O-N 3.11Å |
| 326 | E | 96.8 | Very high | 95.2 | Very high | 95 Ų | 95 | 46.1 Ų | 46.1 | 44% | 0.444 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 130.7 | 171 | -174.4 | 179.5 | -101 | 0 | 0 | 109.4 | C319 Y320 R321 W328 | C319-E326 VanDerWaalsContact SG-CG 3.56Å; Y320-E326 WeakPolarHBondContact O-CA 3.15Å; R321-E326 HydrophobicContact CG-CB 4.29Å; R321-E326 HydrophobicContact CG-CG 3.98Å; R321-E326 IonicContact CZ-OE1 3.15Å; R321-E326 IonicContact NE-OE1 2.73Å; R321-E326 PolarHBondContact NE-OE1 3.15Å; R321-E326 IonicContact NH2-OE1 2.71Å; R321-E326 PolarHBondContact NH2-OE1 3.37Å; E326-W328 VanDerWaalsContact CD-NE1 3.29Å; E326-W328 PolarHBondContact OE2-NE1 2.85Å |
| 327 | Y | 97.3 | Very high | 95.1 | Very high | 59 Ų | 59 | 46.9 Ų | 46.9 | 23% | 0.231 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 139.7 | -179.2 | -57.4 | -83 | 0 | 0 | 0 | 110.7 | H206 R207 C319 Y320 Q324 | H206-Y327 VanDerWaalsContact O-CB 3.23Å; H206-Y327 WeakPolarHBondContact O-CB 3.37Å; R207-Y327 HydrophobicContact CB-CD1 4.19Å; R207-Y327 HydrophobicContact CB-CD2 3.98Å; R207-Y327 HydrophobicContact CB-CE1 4.47Å; R207-Y327 HydrophobicContact CB-CE2 4.26Å; R207-Y327 HydrophobicContact CB-CG 3.94Å; R207-Y327 HydrophobicContact CG-CD1 3.86Å; R207-Y327 HydrophobicContact CG-CD2 4.2Å; R207-Y327 HydrophobicContact CG-CE1 3.72Å; R207-Y327 HydrophobicContact CG-CE2 4.05Å; R207-Y327 HydrophobicContact CG-CG 4.1Å; C319-Y327 CarbonylContact C-O 3.52Å; C319-Y327 WeakPolarHBondContact CA-O 3.4Å; Y320-Y327 HydrophobicContact CD1-CD2 4.01Å; Y320-Y327 PolarHBondContact N-O 2.94Å; Y320-Y327 PolarHBondContact O-N 3.03Å; Q324-Y327 HydrophobicContact CB-CE2 4.44Å; Q324-Y327 WeakPolarHBondContact CB-OH 3.41Å; Q324-Y327 PolarHBondContact O-OH 3.24Å |
| 328 | W | 97.1 | Very high | 94.8 | Very high | 68 Ų | 68 | 46.8 Ų | 46.8 | 26% | 0.258 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 128.3 | -175.8 | -73.5 | 87.9 | 0 | 0 | 0 | 112.2 | R241 A317 V318 C319 E326 | R241-W328 HydrophobicContact CB-CH2 4.22Å; R241-W328 HydrophobicContact CB-CZ3 4.1Å; A317-W328 HydrophobicContact CB-CE3 4.05Å; A317-W328 HydrophobicContact CB-CZ3 4.17Å; V318-W328 WeakPolarHBondContact O-CA 3.26Å; C319-W328 HydrophobicContact CB-CD2 4.13Å; C319-W328 HydrophobicContact CB-CE3 3.95Å; C319-W328 HydrophobicContact CB-CH2 3.63Å; C319-W328 HydrophobicContact CB-CZ2 3.81Å; C319-W328 HydrophobicContact CB-CZ3 3.71Å; E326-W328 VanDerWaalsContact CD-NE1 3.29Å; E326-W328 PolarHBondContact OE2-NE1 2.85Å |
| 329 | D | 97.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 96.5 | 159 | -169.5 | -10.5 | 0 | 0 | 0 | 109.7 | R202 V208 C209 L210 A317 V318 N331 Y336 | R202-D329 IonicContact CZ-OD1 2.72Å; R202-D329 IonicContact CZ-OD2 2.95Å; R202-D329 IonicContact NE-OD1 3.8Å; R202-D329 PolarHBondContact NE-OD1 3.47Å; R202-D329 IonicContact NE-OD2 3.88Å; R202-D329 PolarHBondContact NE-OD2 2.98Å; R202-D329 IonicContact NH2-OD1 3.69Å; R202-D329 PolarHBondContact NH2-OD1 3.48Å; V208-D329 HydrophobicContact CG1-CB 4.04Å; V208-D329 HydrophobicContact CG2-CB 4.26Å; C209-D329 VanDerWaalsContact CA-OD2 3.3Å; C209-D329 WeakPolarHBondContact CA-OD2 3.43Å; L210-D329 PolarHBondContact N-OD2 3.36Å; A317-D329 CarbonylContact C-O 3.58Å; A317-D329 WeakPolarHBondContact CA-O 3.22Å; V318-D329 HydrophobicContact CB-CB 4.28Å; V318-D329 PolarHBondContact N-O 3.18Å; V318-D329 PolarHBondContact O-N 3.22Å; D329-N331 PolarHBondContact OD1-N 3Å; D329-N331 VanDerWaalsContact OD1-N 3.13Å; D329-Y336 WeakPolarHBondContact OD1-CE2 3.23Å; D329-Y336 PolarHBondContact OD1-OH 2.96Å; D329-Y336 PolarHBondContact OD2-OH 3.39Å |
| 330 | N | 95.8 | Very high | 93.8 | Very high | 59 Ų | 59 | 51.8 Ų | 51.8 | 32% | 0.316 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -110.3 | 31.2 | 176.1 | 68.2 | -10.5 | 0 | 0 | 0 | 112.2 | A317 E332 G333 G334 N335 | A317-N330 HydrophobicContact CB-CB 3.96Å; N330-E332 PolarHBondContact O-N 3.03Å; N330-G333 CarbonylContact O-C 3.5Å; N330-G333 PolarHBondContact O-N 2.91Å; N330-G333 PolarHBondContact OD1-N 2.96Å; N330-G333 VanDerWaalsContact OD1-N 3.16Å; N330-G334 PolarHBondContact O-N 2.71Å; N330-N335 VanDerWaalsContact O-CA 3.26Å; N330-N335 WeakPolarHBondContact O-CA 3.29Å; N330-N335 PolarHBondContact O-N 2.89Å |
| 331 | N | 94.3 | Very high | 93 | Very high | 34 Ų | 34 | 53 Ų | 53 | 18% | 0.182 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | 49.2 | 52.5 | -176.9 | -164.6 | 28.7 | 0 | 0 | 0 | 113.6 | D329 G333 G334 N335 Y336 | D329-N331 PolarHBondContact OD1-N 3Å; D329-N331 VanDerWaalsContact OD1-N 3.13Å; N331-G333 PolarHBondContact O-N 3.38Å; N331-G333 VanDerWaalsContact O-N 3.12Å; N331-G334 PolarHBondContact O-N 3.35Å; N331-N335 VanDerWaalsContact CB-C 3.49Å; N331-N335 WeakPolarHBondContact CB-O 2.92Å; N331-N335 PolarHBondContact ND2-O 3.33Å; N331-Y336 HydrophobicContact CB-CD1 3.99Å; N331-Y336 HydrophobicContact CB-CD2 4.26Å; N331-Y336 HydrophobicContact CB-CE1 3.71Å; N331-Y336 HydrophobicContact CB-CE2 4Å; N331-Y336 HydrophobicContact CB-CG 4.26Å |
| 332 | E | 90.4 | Very high | 91.9 | Very high | 156 Ų | 156 | 51.6 Ų | 51.6 | 73% | 0.729 | 27% | 0.271 | S | S | * | . | G | 310 helix | trans | 54.6 | 28.8 | -177.3 | -68 | 171.6 | -157.8 | 0 | 0 | 114.2 | R202 N330 | R202-E332 IonicContact NH1-OE1 2.9Å; R202-E332 PolarHBondContact NH1-OE1 3.23Å; N330-E332 PolarHBondContact O-N 3.03Å |
| 333 | G | 90.9 | Very high | 90.4 | Very high | 45 Ų | 45 | 54.5 Ų | 54.5 | 46% | 0.464 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | 92.3 | -10.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | N330 N331 N335 | N330-G333 CarbonylContact O-C 3.5Å; N330-G333 PolarHBondContact O-N 2.91Å; N330-G333 PolarHBondContact OD1-N 2.96Å; N330-G333 VanDerWaalsContact OD1-N 3.16Å; N331-G333 PolarHBondContact O-N 3.38Å; N331-G333 VanDerWaalsContact O-N 3.12Å; G333-N335 VanDerWaalsContact C-N 3.32Å |
| 334 | G | 91.1 | Very high | 88.9 | Confident | 49 Ų | 49 | 52.9 Ų | 52.9 | 51% | 0.505 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -14.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | N330 N331 | N330-G334 PolarHBondContact O-N 2.71Å; N331-G334 PolarHBondContact O-N 3.35Å |
| 335 | N | 95 | Very high | 87.2 | Confident | 33 Ų | 33 | 52.7 Ų | 52.7 | 18% | 0.176 | 29% | 0.292 | C | S | . | . | trans | 58.8 | 167.2 | -170.1 | -53.2 | -68.7 | 0 | 0 | 0 | 114.4 | W247 H315 N330 N331 G333 T337 | W247-N335 HydrophobicContact CZ2-CB 4.19Å; W247-N335 WeakPolarHBondContact CZ2-OD1 3.35Å; H315-N335 HydrophobicContact CB-CB 4.37Å; N330-N335 VanDerWaalsContact O-CA 3.26Å; N330-N335 WeakPolarHBondContact O-CA 3.29Å; N330-N335 PolarHBondContact O-N 2.89Å; N331-N335 VanDerWaalsContact CB-C 3.49Å; N331-N335 WeakPolarHBondContact CB-O 2.92Å; N331-N335 PolarHBondContact ND2-O 3.33Å; G333-N335 VanDerWaalsContact C-N 3.32Å; N335-T337 PolarHBondContact O-N 2.81Å | ||
| 336 | Y | 96.6 | Very high | 85.1 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 101.6 | 169.8 | -65.7 | -67.1 | 0 | 0 | 0 | 109.3 | F191 L193 L210 H315 F316 D329 N331 | F191-Y336 HydrophobicContact CD1-CD1 4.1Å; F191-Y336 AromaticContact CD2-CD1 3.61Å; F191-Y336 HydrophobicContact CD2-CD1 3.61Å; F191-Y336 HydrophobicContact CD2-CE1 4.05Å; F191-Y336 HydrophobicContact CE1-CD1 4.03Å; F191-Y336 HydrophobicContact CE1-CG 4.45Å; F191-Y336 AromaticContact CE2-CD1 3.56Å; F191-Y336 HydrophobicContact CE2-CD1 3.56Å; F191-Y336 HydrophobicContact CE2-CE1 4.12Å; F191-Y336 AromaticContact CG-CD1 3.89Å; F191-Y336 HydrophobicContact CG-CD1 3.89Å; F191-Y336 AromaticContact CZ-CD1 3.78Å; F191-Y336 HydrophobicContact CZ-CD1 3.78Å; F191-Y336 HydrophobicContact CZ-CG 4.4Å; L193-Y336 HydrophobicContact CD2-CE1 4.48Å; L210-Y336 HydrophobicContact CB-CE1 4.43Å; L210-Y336 HydrophobicContact CB-CE2 3.93Å; L210-Y336 HydrophobicContact CD2-CD1 3.68Å; L210-Y336 HydrophobicContact CD2-CD2 3.65Å; L210-Y336 HydrophobicContact CD2-CE1 3.71Å; L210-Y336 HydrophobicContact CD2-CE2 3.66Å; L210-Y336 HydrophobicContact CD2-CG 3.65Å; L210-Y336 HydrophobicContact CG-CE2 4.48Å; H315-Y336 CarbonylContact C-O 3.59Å; H315-Y336 WeakPolarHBondContact CA-O 3.47Å; F316-Y336 WeakPolarHBondContact CD1-O 3.35Å; F316-Y336 HydrophobicContact CD2-CD2 4.26Å; F316-Y336 HydrophobicContact CD2-CG 4.41Å; F316-Y336 HydrophobicContact CE2-CD2 4.05Å; F316-Y336 AromaticContact CE2-CG 3.99Å; F316-Y336 HydrophobicContact CE2-CG 3.99Å; F316-Y336 VanDerWaalsContact CZ-CB 3.44Å; F316-Y336 HydrophobicContact CZ-CG 4.11Å; F316-Y336 PolarHBondContact N-O 3.33Å; F316-Y336 WeakPolarHBondContact O-CB 3.45Å; F316-Y336 PolarHBondContact O-N 3.13Å; D329-Y336 WeakPolarHBondContact OD1-CE2 3.23Å; D329-Y336 PolarHBondContact OD1-OH 2.96Å; D329-Y336 PolarHBondContact OD2-OH 3.39Å; N331-Y336 HydrophobicContact CB-CD1 3.99Å; N331-Y336 HydrophobicContact CB-CD2 4.26Å; N331-Y336 HydrophobicContact CB-CE1 3.71Å; N331-Y336 HydrophobicContact CB-CE2 4Å; N331-Y336 HydrophobicContact CB-CG 4.26Å |
| 337 | T | 95.4 | Very high | 82.5 | Confident | 16 Ų | 16 | 63 Ų | 63 | 10% | 0.098 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 129 | -173.6 | -56.3 | 0 | 0 | 0 | 0 | 111.7 | F190 F191 A313 I314 H315 N335 | F190-T337 HydrophobicContact CB-CG2 4.38Å; F190-T337 PolarHBondContact N-O 2.79Å; F191-T337 VanDerWaalsContact CD1-N 3.27Å; F191-T337 WeakPolarHBondContact CD1-O 3.43Å; F191-T337 WeakPolarHBondContact CE1-O 3.48Å; A313-T337 HydrophobicContact CB-CG2 4.19Å; I314-T337 CarbonylContact O-C 3.5Å; I314-T337 WeakPolarHBondContact O-CA 3.2Å; H315-T337 VanDerWaalsContact CE1-CG2 3.44Å; H315-T337 WeakPolarHBondContact CE1-CG2 3.45Å; H315-T337 PolarHBondContact CE1-OG1 2.84Å; H315-T337 VanDerWaalsContact CE1-OG1 3.28Å; H315-T337 PolarHBondContact ND1-OG1 3.28Å; N335-T337 PolarHBondContact O-N 2.81Å |
| 338 | L | 92.9 | Very high | 81.8 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 144 | 171.3 | -43.6 | 172.6 | 0 | 0 | 0 | 109.7 | L187 R188 P189 F191 V213 V223 I314 F316 | L187-L338 HydrophobicContact CD1-CB 3.82Å; L187-L338 HydrophobicContact CD2-CB 4.5Å; L187-L338 HydrophobicContact CD2-CD1 4.08Å; L187-L338 HydrophobicContact CG-CB 4.14Å; R188-L338 WeakPolarHBondContact O-CA 3.37Å; P189-L338 HydrophobicContact CB-CD2 4.01Å; F191-L338 HydrophobicContact CE1-CD2 3.78Å; F191-L338 HydrophobicContact CZ-CD2 4.33Å; V213-L338 HydrophobicContact CG1-CD2 4.36Å; V223-L338 HydrophobicContact CB-CD1 4.2Å; V223-L338 HydrophobicContact CG1-CD1 3.69Å; V223-L338 HydrophobicContact CG2-CD1 3.47Å; V223-L338 VanDerWaalsContact CG2-CD1 3.47Å; I314-L338 HydrophobicContact CB-CB 4.15Å; I314-L338 PolarHBondContact N-O 3.02Å; I314-L338 PolarHBondContact O-N 3.36Å; F316-L338 HydrophobicContact CE1-CD1 4.15Å; F316-L338 HydrophobicContact CE1-CD2 4.19Å; F316-L338 HydrophobicContact CE1-CG 4.13Å |
| 339 | R | 89.6 | Confident | 81 | Confident | 76 Ų | 76 | 63 Ų | 63 | 29% | 0.287 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 150.3 | 175.5 | -81.7 | -179.3 | 165.3 | 135.1 | -7.1 | 110.8 | R188 D311 A313 | R188-R339 PolarHBondContact N-O 3.04Å; R188-R339 PolarHBondContact O-N 3.19Å; D311-R339 VanDerWaalsContact CG-NH2 3.25Å; D311-R339 IonicContact OD1-CZ 2.63Å; D311-R339 IonicContact OD1-NE 2.93Å; D311-R339 PolarHBondContact OD1-NE 2.86Å; D311-R339 IonicContact OD1-NH2 3.8Å; D311-R339 PolarHBondContact OD1-NH2 2.81Å; D311-R339 IonicContact OD2-NH2 2.63Å; D311-R339 PolarHBondContact OD2-NH2 3.32Å; A313-R339 HydrophobicContact CB-CG 4.38Å |
| 340 | Y | 85.1 | Confident | 80.1 | Confident | 32 Ų | 32 | 66.5 Ų | 66.5 | 13% | 0.125 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 123.1 | 168.9 | -75 | -82.1 | 0 | 0 | 0 | 110 | A185 L187 L299 P301 | A185-Y340 HydrophobicContact CB-CD1 4.17Å; L187-Y340 HydrophobicContact CB-CD1 4.06Å; L187-Y340 HydrophobicContact CB-CE1 3.84Å; L187-Y340 HydrophobicContact CD1-CD1 4.36Å; L187-Y340 HydrophobicContact CD1-CD2 4Å; L187-Y340 HydrophobicContact CD1-CE1 4.3Å; L187-Y340 HydrophobicContact CD1-CE2 3.93Å; L187-Y340 HydrophobicContact CD1-CG 4.21Å; L299-Y340 HydrophobicContact CB-CE2 4.46Å; L299-Y340 WeakPolarHBondContact O-CE2 3.43Å; P301-Y340 HydrophobicContact CG-CD1 4.3Å; P301-Y340 HydrophobicContact CG-CD2 4.36Å; P301-Y340 HydrophobicContact CG-CG 3.92Å |
| 341 | V | 81.1 | Confident | 79.2 | Confident | 24 Ų | 24 | 66.9 Ų | 66.9 | 15% | 0.145 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 136.7 | 178.2 | -177.5 | 0 | 0 | 0 | 0 | 108.2 | A185 Q186 R188 D345 | A185-V341 WeakPolarHBondContact CA-O 3.34Å; Q186-V341 PolarHBondContact N-O 3.22Å; Q186-V341 PolarHBondContact O-N 3.27Å; R188-V341 HydrophobicContact CB-CG2 4.22Å; R188-V341 HydrophobicContact CG-CG2 4.34Å; V341-D345 HydrophobicContact CG1-CB 3.82Å; V341-D345 WeakPolarHBondContact CG1-OD2 3.39Å |
| 342 | R | 73.9 | Confident | 78.2 | Confident | 75 Ų | 75 | 69 Ų | 69 | 28% | 0.283 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 148.5 | 176.1 | -74.2 | -178.5 | 160.4 | 97.7 | -0.7 | 109.7 | D305 T344 D345 | D305-R342 PolarHBondContact O-NH2 3.13Å; R342-T344 PolarHBondContact O-N 3.09Å; R342-D345 PolarHBondContact N-OD2 2.95Å; R342-D345 PolarHBondContact O-N 2.97Å |
| 343 | S | 62.2 | Low | 77.4 | Confident | 79 Ų | 79 | 63.2 Ų | 63.2 | 55% | 0.552 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | 5.8 | 176.7 | 69.8 | 0 | 0 | 0 | 0 | 114.8 | P183 | P183-S343 WeakPolarHBondContact CA-OG 3.47Š|
| 344 | T | 59.9 | Low | 76.4 | Confident | 95 Ų | 95 | 64.5 Ų | 64.5 | 58% | 0.583 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.4 | -10.3 | 175.6 | 49.5 | 0 | 0 | 0 | 0 | 113.2 | P183 R342 | P183-T344 HydrophobicContact CB-CG2 4.38Å; P183-T344 HydrophobicContact CG-CG2 4.46Å; R342-T344 PolarHBondContact O-N 3.09Å |
| 345 | D | 55.6 | Low | 75.3 | Confident | 79 Ų | 79 | 65.7 Ų | 65.7 | 42% | 0.422 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -74.6 | 133.2 | 179.5 | -60.2 | -38.7 | 0 | 0 | 0 | 109.7 | V341 R342 | V341-D345 HydrophobicContact CG1-CB 3.82Å; V341-D345 WeakPolarHBondContact CG1-OD2 3.39Å; R342-D345 PolarHBondContact N-OD2 2.95Å; R342-D345 PolarHBondContact O-N 2.97Å |
| 346 | P | 48.2 | Very low | 73.7 | Confident | 126 Ų | 126 | 68.4 Ų | 68.4 | 82% | 0.818 | 37% | 0.372 | S | S | * | . | trans | -66.4 | 149.4 | 177.4 | 28.1 | -33.9 | 0 | 0 | 0 | 111.6 | ||||
| 347 | L | 43.3 | Very low | 71.6 | Confident | 219 Ų | 219 | 74.6 Ų | 74.6 | 100% | 1.147 | 41% | 0.406 | S | S | * | . | trans | -78.7 | 0 | 179.1 | -65.4 | 172.3 | 0 | 0 | 0 | 112.6 |
Retrieved 347 of 347 residues in 47.5 ms
(Link to these results)