| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 36.3 | Very low | 37 | Very low | 235 Ų | 235 | 153 Ų | 153 | 100% | 1.158 | 84% | 0.842 | S | S | * | * | 0 | 144.6 | 0 | -70.6 | 159.8 | 65.7 | 0 | 0 | 108 | |||||
| 2 | S | 37.7 | Very low | 37.2 | Very low | 126 Ų | 126 | 150.3 Ų | 150.3 | 88% | 0.881 | 84% | 0.836 | S | S | * | * | trans | 58.3 | 126 | 167.6 | -52.1 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 3 | G | 35.7 | Very low | 37.5 | Very low | 65 Ų | 65 | 153.2 Ų | 153.2 | 67% | 0.67 | 84% | 0.84 | S | S | * | * | trans | -95.1 | -167.8 | 176 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 4 | P | 41.6 | Very low | 37.9 | Very low | 119 Ų | 119 | 150.4 Ų | 150.4 | 77% | 0.773 | 83% | 0.833 | S | S | * | * | trans | -78.9 | 151.2 | -173.9 | 32.6 | -36 | 0 | 0 | 0 | 113.5 | ||||
| 5 | T | 35.8 | Very low | 38 | Very low | 137 Ų | 137 | 147.5 Ų | 147.5 | 84% | 0.84 | 84% | 0.836 | S | S | * | * | trans | -109.6 | 128.9 | 172.3 | -57.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 6 | W | 33.6 | Very low | 37.8 | Very low | 230 Ų | 230 | 153.9 Ų | 153.9 | 87% | 0.871 | 84% | 0.843 | S | S | * | * | trans | -99.1 | 148.5 | 175.7 | -81.1 | 86.4 | 0 | 0 | 0 | 111.7 | ||||
| 7 | L | 34.6 | Very low | 37.9 | Very low | 155 Ų | 155 | 150.2 Ų | 150.2 | 81% | 0.812 | 84% | 0.838 | S | S | * | * | trans | -134.7 | 151.9 | 161.5 | -79.4 | 175.2 | 0 | 0 | 0 | 110.2 | ||||
| 8 | P | 41.3 | Very low | 38.3 | Very low | 111 Ų | 111 | 149 Ų | 149 | 72% | 0.721 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -99.5 | 157.4 | -159.1 | 37.5 | -36.7 | 0 | 0 | 0 | 115.6 | ||
| 9 | P | 39.8 | Very low | 38.4 | Very low | 129 Ų | 129 | 151.8 Ų | 151.8 | 84% | 0.838 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 162.4 | 166.7 | 34.4 | -34.6 | 0 | 0 | 0 | 112.8 | ||
| 10 | K | 33.8 | Very low | 38.2 | Very low | 194 Ų | 194 | 148.1 Ų | 148.1 | 84% | 0.843 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 163.1 | -175 | -61.3 | -179.3 | 177.5 | -178 | 0 | 114 | ||
| 11 | Q | 36.4 | Very low | 38.2 | Very low | 182 Ų | 182 | 153 Ų | 153 | 85% | 0.85 | 85% | 0.846 | S | S | * | * | trans | -133.8 | 156.8 | 157.4 | -75.6 | -65 | -48.7 | 0 | 0 | 110.2 | ||||
| 12 | P | 40.3 | Very low | 38.1 | Very low | 120 Ų | 120 | 146.7 Ų | 146.7 | 78% | 0.779 | 83% | 0.831 | S | S | * | * | trans | -97 | 174.9 | -167.6 | -2.6 | 25 | 0 | 0 | 0 | 115.7 | ||||
| 13 | E | 41 | Very low | 38.5 | Very low | 188 Ų | 188 | 148.4 Ų | 148.4 | 88% | 0.879 | 83% | 0.828 | S | S | * | * | trans | -87.8 | 172 | -178.6 | -104.2 | -159 | 77.7 | 0 | 0 | 114.9 | ||||
| 14 | P | 43.1 | Very low | 39.2 | Very low | 114 Ų | 114 | 150.8 Ų | 150.8 | 74% | 0.74 | 83% | 0.832 | S | S | * | * | trans | -95.2 | 168.2 | -154.8 | 37.7 | -38.9 | 0 | 0 | 0 | 116.8 | ||||
| 15 | A | 38.6 | Very low | 38.9 | Very low | 107 Ų | 107 | 156.4 Ų | 156.4 | 88% | 0.884 | 84% | 0.838 | S | S | * | * | trans | -113.8 | 156.3 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 16 | R | 35.9 | Very low | 38.7 | Very low | 250 Ų | 250 | 153.7 Ų | 153.7 | 94% | 0.943 | 84% | 0.837 | S | S | * | * | trans | -107.3 | 145.2 | -167.8 | -159.3 | 176 | -173 | -178.6 | 2.5 | 112.1 | ||||
| 17 | A | 39.1 | Very low | 39.3 | Very low | 92 Ų | 92 | 148.6 Ų | 148.6 | 76% | 0.76 | 83% | 0.831 | S | S | * | * | trans | -79.2 | 158.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 18 | P | 44.1 | Very low | 39.9 | Very low | 128 Ų | 128 | 147 Ų | 147 | 83% | 0.831 | 83% | 0.83 | S | S | * | * | trans | -110.2 | 172.1 | 146.5 | 36.7 | -29.4 | 0 | 0 | 0 | 112.9 | ||||
| 19 | Q | 40.8 | Very low | 39.9 | Very low | 202 Ų | 202 | 145 Ų | 145 | 94% | 0.944 | 83% | 0.831 | S | S | * | * | trans | -94 | 154 | -158.7 | -53.8 | 165 | 19.4 | 0 | 0 | 113.7 | ||||
| 20 | G | 34.5 | Very low | 40.7 | Very low | 77 Ų | 77 | 144.9 Ų | 144.9 | 79% | 0.794 | 83% | 0.83 | S | S | * | * | trans | -161.4 | 116.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 21 | R | 39.1 | Very low | 41.6 | Very low | 253 Ų | 253 | 141.4 Ų | 141.4 | 96% | 0.955 | 83% | 0.827 | S | S | * | * | trans | 18.2 | 139.9 | 165.1 | -87.5 | 178 | 167.2 | 166.4 | -4.2 | 121.9 | ||||
| 22 | A | 34 | Very low | 42.5 | Very low | 102 Ų | 102 | 138.7 Ų | 138.7 | 84% | 0.843 | 83% | 0.825 | S | S | * | * | trans | -78.1 | 152.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 23 | I | 46.2 | Very low | 42.2 | Very low | 161 Ų | 161 | 136.8 Ų | 136.8 | 83% | 0.826 | 82% | 0.819 | S | S | * | * | trans | -126.5 | 130.9 | 164.8 | -59.5 | 175.5 | 0 | 0 | 0 | 108 | ||||
| 24 | P | 49.2 | Very low | 41.9 | Very low | 115 Ų | 115 | 137 Ų | 137 | 75% | 0.747 | 82% | 0.82 | S | S | * | * | trans | -90.8 | 120.1 | 179.9 | 32.9 | -31.7 | 0 | 0 | 0 | 113.9 | ||||
| 25 | R | 35.9 | Very low | 41.3 | Very low | 238 Ų | 238 | 134.7 Ų | 134.7 | 90% | 0.898 | 82% | 0.817 | S | S | * | * | trans | 48.8 | 105 | 142.9 | -64.5 | -178.6 | 170.4 | -173.1 | -4.3 | 119.8 | ||||
| 26 | G | 31.9 | Very low | 40.9 | Very low | 79 Ų | 79 | 135 Ų | 135 | 81% | 0.814 | 82% | 0.819 | S | S | * | * | trans | -112.7 | 145.9 | 136.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 27 | T | 44.9 | Very low | 40.7 | Very low | 123 Ų | 123 | 127.9 Ų | 127.9 | 76% | 0.755 | 81% | 0.814 | S | S | * | * | trans | -152.3 | 157.6 | -175.7 | 55.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 28 | P | 47.2 | Very low | 40.3 | Very low | 121 Ų | 121 | 131.4 Ų | 131.4 | 79% | 0.786 | 82% | 0.82 | S | S | * | * | -130.3 | 153.6 | -58 | 35.3 | -19.8 | 0 | 0 | 0 | 112.3 | |||||
| 29 | G | 42.5 | Very low | 39.9 | Very low | 71 Ų | 71 | 132.1 Ų | 132.1 | 73% | 0.732 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 145.6 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 30 | P | 56.9 | Low | 39.6 | Very low | 126 Ų | 126 | 128 Ų | 128 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 159.3 | 175.6 | 30.9 | -34.7 | 0 | 0 | 0 | 113.1 | ||
| 31 | P | 52.6 | Low | 39.8 | Very low | 121 Ų | 121 | 131.6 Ų | 131.6 | 79% | 0.786 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 166.5 | -167.6 | 36.7 | -37.8 | 0 | 0 | 0 | 115.5 | ||
| 32 | P | 54.4 | Low | 39.5 | Very low | 125 Ų | 125 | 125.6 Ų | 125.6 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | trans | -98.6 | -172.7 | 174.6 | 40.5 | -36.7 | 0 | 0 | 0 | 114.2 | ||||
| 33 | A | 34.7 | Very low | 39.3 | Very low | 80 Ų | 80 | 132.1 Ų | 132.1 | 66% | 0.661 | 80% | 0.795 | S | S | * | * | trans | 79.7 | 149.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 34 | H | 34.7 | Very low | 38.8 | Very low | 191 Ų | 191 | 130.6 Ų | 130.6 | 88% | 0.884 | 79% | 0.793 | S | S | * | * | cis | -129.6 | 177.8 | 5 | -60.8 | -103.1 | 0 | 0 | 0 | 109 | ||||
| 35 | G | 30.5 | Very low | 37.8 | Very low | 67 Ų | 67 | 132.7 Ų | 132.7 | 69% | 0.691 | 80% | 0.798 | S | S | * | * | cis | 138.5 | 127.5 | -1.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 36 | A | 30.5 | Very low | 37.4 | Very low | 112 Ų | 112 | 130.2 Ų | 130.2 | 93% | 0.926 | 79% | 0.794 | S | S | * | * | trans | 65.6 | 153.5 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 37 | A | 30.2 | Very low | 37.3 | Very low | 101 Ų | 101 | 132.4 Ų | 132.4 | 84% | 0.835 | 80% | 0.795 | S | S | * | * | cis | -138.8 | -169.3 | 16.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 38 | L | 31.1 | Very low | 36.9 | Very low | 167 Ų | 167 | 132 Ų | 132 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | trans | -99 | 149.2 | -171.9 | -69.6 | 159.6 | 0 | 0 | 0 | 114.2 | ||||
| 39 | Q | 35.1 | Very low | 36.1 | Very low | 142 Ų | 142 | 133.6 Ų | 133.6 | 66% | 0.664 | 80% | 0.796 | S | S | * | * | trans | 22.9 | 140.2 | 144.7 | -67.8 | -68.1 | -4 | 0 | 0 | 120.2 | ||||
| 40 | P | 35.4 | Very low | 35.8 | Very low | 117 Ų | 117 | 136 Ų | 136 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | -144.8 | 176.4 | 51.6 | 40.5 | -21.2 | 0 | 0 | 0 | 118.2 | |||||
| 41 | H | 38.9 | Very low | 34.6 | Very low | 151 Ų | 151 | 134.3 Ų | 134.3 | 70% | 0.699 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 144.4 | 175.4 | -49 | -104 | 0 | 0 | 0 | 114.7 | ||
| 42 | P | 32.6 | Very low | 33.5 | Very low | 128 Ų | 128 | 136 Ų | 136 | 83% | 0.831 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 139.6 | 154.8 | 32.6 | -31.7 | 0 | 0 | 0 | 110.4 | ||
| 43 | R | 29.6 | Very low | 32.4 | Very low | 238 Ų | 238 | 137.2 Ų | 137.2 | 90% | 0.898 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -90.6 | 147 | -179.3 | -62.8 | 167.5 | 76.2 | 162.5 | 3.7 | 110.6 | ||
| 44 | V | 36.3 | Very low | 32 | Very low | 130 Ų | 130 | 138.5 Ų | 138.5 | 79% | 0.788 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -63 | 135.9 | 163.6 | -173 | 0 | 0 | 0 | 0 | 108.6 | ||
| 45 | N | 27.6 | Very low | 31.6 | Very low | 158 Ų | 158 | 138.9 Ų | 138.9 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | trans | -153.2 | 144.9 | 162.7 | -131.2 | 7.3 | 0 | 0 | 0 | 111.7 | ||||
| 46 | F | 28.6 | Very low | 31.5 | Very low | 186 Ų | 186 | 144 Ų | 144 | 82% | 0.816 | 79% | 0.786 | S | S | * | * | trans | -90 | 155.7 | -178.6 | -75.7 | -109.4 | 0 | 0 | 0 | 112.1 | ||||
| 47 | C | 28.6 | Very low | 31.6 | Very low | 125 Ų | 125 | 142.7 Ų | 142.7 | 85% | 0.845 | 78% | 0.775 | S | S | * | * | trans | 174.8 | 158.8 | 144.4 | -102.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 48 | P | 36.4 | Very low | 32.1 | Very low | 115 Ų | 115 | 144.1 Ų | 144.1 | 75% | 0.747 | 78% | 0.776 | S | S | * | * | -129.6 | 172.3 | -54.2 | 35 | -18.3 | 0 | 0 | 0 | 112.3 | |||||
| 49 | L | 30.5 | Very low | 31.9 | Very low | 154 Ų | 154 | 139.8 Ų | 139.8 | 81% | 0.806 | 77% | 0.772 | S | S | * | * | trans | -75.6 | 148.4 | 167.9 | -72.3 | 167.1 | 0 | 0 | 0 | 111.7 | ||||
| 50 | P | 37 | Very low | 31.6 | Very low | 122 Ų | 122 | 136.6 Ų | 136.6 | 79% | 0.792 | 78% | 0.777 | S | S | * | * | trans | -91.4 | 147.1 | 133.5 | 34.1 | -27.8 | 0 | 0 | 0 | 110.1 | ||||
| 51 | S | 30.7 | Very low | 32 | Very low | 90 Ų | 90 | 136.3 Ų | 136.3 | 63% | 0.629 | 78% | 0.775 | S | S | * | * | trans | -119.4 | 166.3 | -169.8 | -50.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 52 | E | 31 | Very low | 31.5 | Very low | 157 Ų | 157 | 137.8 Ų | 137.8 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | trans | 67.8 | 145.3 | 167 | -50.7 | -67.4 | 63.6 | 0 | 0 | 115.2 | ||||
| 53 | Q | 30.9 | Very low | 31.5 | Very low | 151 Ų | 151 | 137.8 Ų | 137.8 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | cis | -155.1 | 158.1 | -9.7 | -103.3 | 161 | 30.4 | 0 | 0 | 104.3 | ||||
| 54 | C | 25.7 | Very low | 31.6 | Very low | 107 Ų | 107 | 137 Ų | 137 | 72% | 0.723 | 77% | 0.773 | S | S | * | * | cis | -158.1 | -178.9 | 27.5 | -135.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 55 | Y | 27 | Very low | 31.2 | Very low | 198 Ų | 198 | 134 Ų | 134 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | trans | -58.8 | 168.8 | 166.1 | -67.7 | -103.3 | 0 | 0 | 0 | 112.1 | ||||
| 56 | Q | 27.8 | Very low | 31.9 | Very low | 174 Ų | 174 | 132.1 Ų | 132.1 | 81% | 0.813 | 76% | 0.764 | S | S | * | * | cis | -161.9 | 163.3 | 19.1 | -139.3 | 141.1 | 9.3 | 0 | 0 | 111.9 | ||||
| 57 | A | 32.4 | Very low | 32.1 | Very low | 85 Ų | 85 | 127.9 Ų | 127.9 | 70% | 0.702 | 76% | 0.763 | S | S | * | * | trans | -98.1 | 178.9 | 156.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 58 | P | 41.5 | Very low | 32 | Very low | 132 Ų | 132 | 133.1 Ų | 133.1 | 86% | 0.857 | 77% | 0.765 | S | S | * | * | cis | -139.4 | -167.6 | 8.6 | 44.4 | -25.8 | 0 | 0 | 0 | 114.8 | ||||
| 59 | G | 27.2 | Very low | 31.7 | Very low | 75 Ų | 75 | 134.4 Ų | 134.4 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | trans | 129.1 | 133.7 | 150.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 60 | G | 28.6 | Very low | 31.6 | Very low | 75 Ų | 75 | 130.3 Ų | 130.3 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | trans | -106.5 | -164.9 | 146.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 61 | P | 43.4 | Very low | 31.3 | Very low | 111 Ų | 111 | 128.7 Ų | 128.7 | 72% | 0.721 | 76% | 0.757 | S | S | * | * | cis | -137.3 | -162.6 | 11.8 | 44.6 | -26.8 | 0 | 0 | 0 | 114.5 | ||||
| 62 | E | 28.9 | Very low | 31.4 | Very low | 182 Ų | 182 | 133.5 Ų | 133.5 | 85% | 0.85 | 77% | 0.77 | S | S | * | * | trans | 75.1 | 134.8 | 152.7 | -73.7 | 178.3 | 111.3 | 0 | 0 | 123.4 | ||||
| 63 | D | 31.9 | Very low | 31.3 | Very low | 128 Ų | 128 | 129.4 Ų | 129.4 | 68% | 0.684 | 77% | 0.77 | S | S | * | * | trans | 24 | 114.3 | 148.1 | -161.6 | -131.4 | 0 | 0 | 0 | 121.1 | ||||
| 64 | R | 31.1 | Very low | 31.2 | Very low | 223 Ų | 223 | 129.5 Ų | 129.5 | 84% | 0.842 | 78% | 0.78 | S | S | * | * | 173.7 | 152.4 | 110 | -92.9 | 177.3 | -171.8 | -168.1 | 1.9 | 114.4 | |||||
| 65 | G | 28.3 | Very low | 31.3 | Very low | 66 Ų | 66 | 131.5 Ų | 131.5 | 68% | 0.68 | 78% | 0.783 | S | S | * | * | trans | -79.8 | -175.1 | 159 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 66 | P | 42.8 | Very low | 31.6 | Very low | 119 Ų | 119 | 129.8 Ų | 129.8 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | -143.8 | 175.1 | 58.4 | 39.4 | -21.7 | 0 | 0 | 0 | 116.1 | |||||
| 67 | A | 31.5 | Very low | 31.6 | Very low | 97 Ų | 97 | 132.1 Ų | 132.1 | 80% | 0.802 | 78% | 0.783 | S | S | * | * | trans | -97 | 157.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 68 | W | 27.1 | Very low | 31.5 | Very low | 234 Ų | 234 | 132.8 Ų | 132.8 | 89% | 0.886 | 78% | 0.778 | S | S | * | * | trans | -112.7 | 118.2 | 172.5 | -58.8 | -7.2 | 0 | 0 | 0 | 110.8 | ||||
| 69 | V | 31.1 | Very low | 30.9 | Very low | 142 Ų | 142 | 135.5 Ų | 135.5 | 86% | 0.861 | 78% | 0.78 | S | S | * | * | 45.6 | 133.3 | 125.9 | -174.9 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 70 | G | 27.4 | Very low | 30.9 | Very low | 68 Ų | 68 | 135.4 Ų | 135.4 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | cis | 167 | -174 | 6.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 71 | S | 31.9 | Very low | 31 | Very low | 88 Ų | 88 | 140.3 Ų | 140.3 | 62% | 0.615 | 79% | 0.786 | S | S | * | * | cis | -167.3 | 168.8 | -6.8 | -85.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 72 | H | 31.8 | Very low | 31.2 | Very low | 192 Ų | 192 | 141 Ų | 141 | 89% | 0.889 | 79% | 0.791 | S | S | * | * | trans | 71.6 | 145.1 | 174.1 | -46 | -81.8 | 0 | 0 | 0 | 116 | ||||
| 73 | G | 29.2 | Very low | 31.3 | Very low | 71 Ų | 71 | 136.8 Ų | 136.8 | 73% | 0.732 | 79% | 0.787 | S | S | * | * | cis | 146.3 | 149.6 | 1.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 74 | V | 28.3 | Very low | 31.2 | Very low | 152 Ų | 152 | 136.5 Ų | 136.5 | 92% | 0.921 | 79% | 0.786 | S | S | * | * | cis | -148.3 | 175.3 | 10.7 | 166.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 75 | L | 28.6 | Very low | 31.3 | Very low | 149 Ų | 149 | 136.2 Ų | 136.2 | 78% | 0.78 | 79% | 0.785 | S | S | * | * | trans | -98.6 | 167.4 | -167.8 | -171.4 | 72.7 | 0 | 0 | 0 | 115.1 | ||||
| 76 | Q | 32 | Very low | 31.3 | Very low | 163 Ų | 163 | 137 Ų | 137 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | trans | 110.9 | 125.4 | 155.5 | -59.8 | -166.5 | 70.2 | 0 | 0 | 116.1 | ||||
| 77 | R | 28.6 | Very low | 30.7 | Very low | 222 Ų | 222 | 134.7 Ų | 134.7 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | 67.7 | 132 | 75.3 | -107.1 | -170.8 | -173.9 | -138.5 | 4 | 111.3 | |||||
| 78 | T | 29.9 | Very low | 30.7 | Very low | 99 Ų | 99 | 138.6 Ų | 138.6 | 61% | 0.607 | 80% | 0.797 | S | S | * | * | cis | -156.3 | 158.3 | 24.6 | 41.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 79 | Q | 28.9 | Very low | 31.3 | Very low | 190 Ų | 190 | 138.5 Ų | 138.5 | 89% | 0.888 | 80% | 0.797 | S | S | * | * | trans | 44.6 | 131.2 | 139.8 | -62.1 | 171.1 | -6.9 | 0 | 0 | 122.5 | ||||
| 80 | G | 26.8 | Very low | 32.1 | Very low | 73 Ų | 73 | 137.4 Ų | 137.4 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | trans | 169.6 | 124 | 159.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 81 | L | 32.1 | Very low | 32.2 | Very low | 177 Ų | 177 | 137.6 Ų | 137.6 | 93% | 0.927 | 80% | 0.795 | S | S | * | * | trans | -148.2 | 172.3 | 170.5 | -68.2 | 176.3 | 0 | 0 | 0 | 107.3 | ||||
| 82 | P | 47.1 | Very low | 32.7 | Very low | 126 Ų | 126 | 137.9 Ų | 137.9 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | cis | -136.2 | -163.6 | 4 | 41.6 | -21 | 0 | 0 | 0 | 115.7 | ||||
| 83 | A | 31.6 | Very low | 33.6 | Very low | 94 Ų | 94 | 135.7 Ų | 135.7 | 78% | 0.777 | 79% | 0.791 | S | S | * | * | trans | -68.6 | 169.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 84 | D | 29.6 | Very low | 34.4 | Very low | 122 Ų | 122 | 137.7 Ų | 137.7 | 65% | 0.652 | 79% | 0.785 | S | S | * | * | trans | -165.2 | 157.7 | 130.2 | -135.4 | -152.3 | 0 | 0 | 0 | 109 | ||||
| 85 | R | 32.8 | Very low | 35.6 | Very low | 216 Ų | 216 | 134.8 Ų | 134.8 | 82% | 0.815 | 78% | 0.777 | S | S | * | * | cis | -160.8 | 140.9 | -2.4 | -156.3 | 178.2 | -161.4 | 116.8 | -7.5 | 112.3 | ||||
| 86 | G | 27.9 | Very low | 36.6 | Very low | 82 Ų | 82 | 135.5 Ų | 135.5 | 85% | 0.845 | 78% | 0.776 | S | S | * | * | trans | 71.8 | 150.4 | 152.8 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 87 | G | 30.2 | Very low | 37.7 | Very low | 72 Ų | 72 | 133 Ų | 133 | 74% | 0.742 | 77% | 0.767 | S | S | * | * | cis | 174.9 | 170.6 | -7.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 88 | L | 31.4 | Very low | 38.7 | Very low | 179 Ų | 179 | 128 Ų | 128 | 94% | 0.937 | 76% | 0.757 | S | S | * | * | trans | 79.8 | 157.9 | 175.2 | -51.9 | 179.6 | 0 | 0 | 0 | 118.7 | ||||
| 89 | R | 40.3 | Very low | 39.6 | Very low | 231 Ų | 231 | 130.7 Ų | 130.7 | 87% | 0.872 | 77% | 0.766 | S | S | * | * | trans | -148.3 | -168.9 | 178.8 | -32.6 | -169.9 | 76.1 | -148.2 | 0.6 | 108.1 | ||||
| 90 | P | 48.2 | Very low | 40.5 | Very low | 119 Ų | 119 | 128 Ų | 128 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | cis | -123.3 | 177.6 | -33 | 37.4 | -23.3 | 0 | 0 | 0 | 111.5 | ||||
| 91 | G | 29.8 | Very low | 41.8 | Very low | 72 Ų | 72 | 127.7 Ų | 127.7 | 74% | 0.742 | 74% | 0.744 | S | S | * | * | trans | 171.6 | 154.8 | 163.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 92 | S | 40.7 | Very low | 42.5 | Very low | 95 Ų | 95 | 124.1 Ų | 124.1 | 66% | 0.664 | 73% | 0.734 | S | S | * | * | trans | 64.1 | 128.9 | 169.9 | -166.7 | 0 | 0 | 0 | 0 | 118.8 | D94 | S92-D94 WeakPolarHBondContact CA-OD2 3.42Å; S92-D94 VanDerWaalsContact CB-OD2 3.31Å; S92-D94 WeakPolarHBondContact CB-OD2 3.25Å; S92-D94 WeakPolarHBondContact OG-CB 3.36Å; S92-D94 PolarHBondContact OG-N 2.78Å; S92-D94 PolarHBondContact OG-OD2 3.13Å | ||
| 93 | L | 51.7 | Low | 42.7 | Very low | 146 Ų | 146 | 123.6 Ų | 123.6 | 76% | 0.764 | 73% | 0.728 | S | S | * | * | trans | -125.6 | 31.6 | 171.1 | -119.2 | 170.4 | 0 | 0 | 0 | 109.4 | ||||
| 94 | D | 46.4 | Very low | 43.5 | Very low | 112 Ų | 112 | 126.7 Ų | 126.7 | 60% | 0.599 | 73% | 0.731 | S | S | * | * | trans | -113 | 23.4 | -159 | -46.1 | -87.2 | 0 | 0 | 0 | 112.4 | S92 | S92-D94 WeakPolarHBondContact CA-OD2 3.42Å; S92-D94 VanDerWaalsContact CB-OD2 3.31Å; S92-D94 WeakPolarHBondContact CB-OD2 3.25Å; S92-D94 WeakPolarHBondContact OG-CB 3.36Å; S92-D94 PolarHBondContact OG-N 2.78Å; S92-D94 PolarHBondContact OG-OD2 3.13Å | ||
| 95 | A | 54 | Low | 44.4 | Very low | 91 Ų | 91 | 125 Ų | 125 | 75% | 0.752 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -111.5 | -11.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 96 | E | 49.5 | Very low | 45.2 | Very low | 164 Ų | 164 | 123.1 Ų | 123.1 | 77% | 0.766 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -105.2 | -3.9 | -177.4 | -65.3 | -171.4 | 129.7 | 0 | 0 | 113.8 | ||
| 97 | I | 54.5 | Low | 46.1 | Very low | 112 Ų | 112 | 127.2 Ų | 127.2 | 57% | 0.574 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -91.6 | -37.9 | -174.7 | -63.5 | 176.7 | 0 | 0 | 0 | 112.4 | L99 L100 | I97-L99 VanDerWaalsContact C-N 3.27Å; I97-L99 PolarHBondContact O-N 2.94Å; I97-L100 PolarHBondContact O-N 2.85Å |
| 98 | D | 49.1 | Very low | 46.4 | Very low | 116 Ų | 116 | 132 Ų | 132 | 62% | 0.62 | 75% | 0.745 | S | S | * | * | H | α-helix | trans | -69.4 | -19.5 | -172.9 | -78 | -29.9 | 0 | 0 | 0 | 114.8 | L100 | D98-L100 VanDerWaalsContact C-N 3.26Å; D98-L100 PolarHBondContact O-N 2.99Å |
| 99 | L | 49 | Very low | 46.4 | Very low | 155 Ų | 155 | 127.3 Ų | 127.3 | 81% | 0.812 | 74% | 0.74 | S | S | * | * | H | α-helix | trans | -76.1 | -11.9 | 178.6 | -160.4 | 62.8 | 0 | 0 | 0 | 113.4 | I97 | I97-L99 VanDerWaalsContact C-N 3.27Å; I97-L99 PolarHBondContact O-N 2.94Å |
| 100 | L | 48.6 | Very low | 46.2 | Very low | 133 Ų | 133 | 119.6 Ų | 119.6 | 70% | 0.696 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -107.4 | -13.5 | 178 | -66.2 | 178.2 | 0 | 0 | 0 | 114.1 | I97 D98 | I97-L100 PolarHBondContact O-N 2.85Å; D98-L100 VanDerWaalsContact C-N 3.26Å; D98-L100 PolarHBondContact O-N 2.99Å |
| 101 | S | 53.4 | Low | 45.6 | Very low | 68 Ų | 68 | 126.5 Ų | 126.5 | 48% | 0.476 | 74% | 0.742 | S | S | . | * | H | α-helix | trans | -81.9 | -21.1 | 178.3 | -61.9 | 0 | 0 | 0 | 0 | 113.7 | T103 | S101-T103 PolarHBondContact O-N 3.33Å |
| 102 | S | 47 | Very low | 45.8 | Very low | 101 Ų | 101 | 126.3 Ų | 126.3 | 71% | 0.706 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | -0.7 | -171.5 | -61 | 0 | 0 | 0 | 0 | 115.4 | ||
| 103 | T | 50.8 | Low | 45.4 | Very low | 115 Ų | 115 | 130.8 Ų | 130.8 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.5 | 0.8 | -178.1 | 52.1 | 0 | 0 | 0 | 0 | 114.4 | S101 | S101-T103 PolarHBondContact O-N 3.33Š|
| 104 | L | 48.8 | Very low | 44.5 | Very low | 159 Ų | 159 | 130 Ų | 130 | 83% | 0.832 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -120.4 | 18.3 | 177.3 | -71.6 | 172.4 | 0 | 0 | 0 | 113 | ||
| 105 | A | 49.2 | Very low | 44.8 | Very low | 86 Ų | 86 | 129.5 Ų | 129.5 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -106.2 | -9.3 | -178 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 106 | E | 48.4 | Very low | 43.6 | Very low | 177 Ų | 177 | 136.7 Ų | 136.7 | 83% | 0.827 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -114 | 151.9 | 172.1 | -64.4 | -159.7 | 114.7 | 0 | 0 | 110.9 | ||
| 107 | L | 46.1 | Very low | 42.6 | Very low | 168 Ų | 168 | 139.7 Ų | 139.7 | 88% | 0.88 | 77% | 0.767 | S | S | * | * | S | Bend | trans | 70.2 | 46.5 | -176 | -51.9 | -177.6 | 0 | 0 | 0 | 117.3 | ||
| 108 | N | 37.1 | Very low | 42.2 | Very low | 173 Ų | 173 | 139.1 Ų | 139.1 | 93% | 0.925 | 77% | 0.771 | S | S | * | * | trans | -150.2 | 93 | 140.1 | -105.2 | -48.3 | 0 | 0 | 0 | 112.4 | ||||
| 109 | G | 31.4 | Very low | 41.2 | Very low | 81 Ų | 81 | 142.5 Ų | 142.5 | 84% | 0.835 | 78% | 0.783 | S | S | * | * | trans | -136.7 | 26.8 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 110 | G | 35.4 | Very low | 40.4 | Very low | 69 Ų | 69 | 146 Ų | 146 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | trans | 21.1 | 126.9 | 166.9 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 111 | R | 36.7 | Very low | 39.5 | Very low | 263 Ų | 263 | 149.2 Ų | 149.2 | 99% | 0.992 | 80% | 0.796 | S | S | * | * | trans | -149.1 | 140 | 138.7 | -103.7 | 169.9 | -166 | -94.7 | -1.4 | 108.9 | ||||
| 112 | G | 33.8 | Very low | 38.4 | Very low | 69 Ų | 69 | 150.7 Ų | 150.7 | 71% | 0.711 | 81% | 0.813 | S | S | * | * | trans | -118 | 163.9 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 113 | H | 32 | Very low | 37.7 | Very low | 189 Ų | 189 | 155.3 Ų | 155.3 | 88% | 0.875 | 82% | 0.816 | S | S | * | * | trans | -154.6 | 153.9 | 164.6 | -111.6 | -81.6 | 0 | 0 | 0 | 111.4 | ||||
| 114 | V | 33.3 | Very low | 36.8 | Very low | 129 Ų | 129 | 158.5 Ų | 158.5 | 78% | 0.782 | 82% | 0.823 | S | S | * | * | trans | -154.1 | 158.6 | -171 | 168.6 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 115 | P | 51.8 | Low | 36.4 | Very low | 102 Ų | 102 | 154.7 Ų | 154.7 | 66% | 0.662 | 81% | 0.808 | S | S | * | * | cis | -124.6 | 176.3 | -9 | 32.9 | -15.3 | 0 | 0 | 0 | 114.8 | ||||
| 116 | R | 28.7 | Very low | 35.9 | Very low | 241 Ų | 241 | 158.9 Ų | 158.9 | 91% | 0.909 | 82% | 0.817 | S | S | * | * | 175.8 | 160.8 | 119.7 | -93.1 | -78.5 | 166.9 | 162.9 | -4.9 | 114.2 | |||||
| 117 | R | 29.5 | Very low | 36 | Very low | 227 Ų | 227 | 155.8 Ų | 155.8 | 86% | 0.857 | 81% | 0.812 | S | S | * | * | trans | -118 | 174.6 | 174.7 | -134.5 | -167.2 | 177.3 | 177.7 | 0.2 | 106.8 | ||||
| 118 | P | 45.8 | Very low | 36 | Very low | 101 Ų | 101 | 153 Ų | 153 | 66% | 0.656 | 80% | 0.804 | S | S | * | * | cis | -132.8 | -172 | -12.9 | 39.9 | -21.8 | 0 | 0 | 0 | 113.1 | ||||
| 119 | E | 28.1 | Very low | 36.2 | Very low | 187 Ų | 187 | 151.1 Ų | 151.1 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | 179.8 | 178.6 | 115.4 | -92.8 | -138.3 | 86 | 0 | 0 | 113.7 | |||||
| 120 | R | 32.1 | Very low | 36.3 | Very low | 228 Ų | 228 | 152.7 Ų | 152.7 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | trans | -115.9 | 143.9 | -172.6 | -74.9 | 171.7 | 150 | -163 | -3.9 | 112.3 | ||||
| 121 | Q | 29.6 | Very low | 36.2 | Very low | 200 Ų | 200 | 159.1 Ų | 159.1 | 94% | 0.935 | 80% | 0.799 | S | S | * | * | trans | 172.5 | 154.8 | 145.4 | -96.6 | 160.2 | 25 | 0 | 0 | 107.6 | ||||
| 122 | A | 29.6 | Very low | 35.8 | Very low | 99 Ų | 99 | 158.3 Ų | 158.3 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | cis | -153.4 | 170 | -24.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 123 | Y | 33.9 | Very low | 35.9 | Very low | 198 Ų | 198 | 161.7 Ų | 161.7 | 78% | 0.776 | 80% | 0.803 | S | S | * | * | trans | -100.7 | 129.3 | 179.5 | 174.9 | -86.5 | 0 | 0 | 0 | 111.6 | P125 | Y123-P125 HydrophobicContact CE1-CG 4.32Š| ||
| 124 | E | 31.9 | Very low | 35.7 | Very low | 183 Ų | 183 | 156.1 Ų | 156.1 | 86% | 0.855 | 80% | 0.796 | S | S | * | * | trans | -149 | 151.1 | 146.9 | -104.7 | -156 | 93.9 | 0 | 0 | 111.2 | ||||
| 125 | P | 38.7 | Very low | 36.2 | Very low | 79 Ų | 79 | 155.8 Ų | 155.8 | 51% | 0.513 | 80% | 0.8 | S | S | . | * | P | Polyproline II helix | trans | -97.8 | 158.9 | -174.5 | 37.8 | -33.7 | 0 | 0 | 0 | 114 | Y123 | Y123-P125 HydrophobicContact CE1-CG 4.32Š|
| 126 | L | 38.8 | Very low | 35.3 | Very low | 174 Ų | 174 | 158.9 Ų | 158.9 | 91% | 0.911 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 141 | 173.5 | -75.1 | 161.9 | 0 | 0 | 0 | 112.1 | ||
| 127 | P | 51.1 | Low | 35.8 | Very low | 111 Ų | 111 | 157.1 Ų | 157.1 | 72% | 0.721 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 155.8 | -176.1 | 32.5 | -36.4 | 0 | 0 | 0 | 113.7 | ||
| 128 | P | 47.4 | Very low | 35.8 | Very low | 110 Ų | 110 | 152.4 Ų | 152.4 | 71% | 0.714 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 151.3 | 177.4 | 32.7 | -35.6 | 0 | 0 | 0 | 112.7 | ||
| 129 | P | 41.4 | Very low | 35.3 | Very low | 133 Ų | 133 | 154.9 Ų | 154.9 | 86% | 0.864 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -71 | 131.2 | 176.2 | 29.2 | -34.1 | 0 | 0 | 0 | 111.7 | ||
| 130 | V | 33.4 | Very low | 35.6 | Very low | 115 Ų | 115 | 151.4 Ų | 151.4 | 70% | 0.697 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 142.4 | 179.2 | -176.5 | 0 | 0 | 0 | 0 | 110.8 | ||
| 131 | Y | 31.5 | Very low | 35.6 | Very low | 203 Ų | 203 | 145.2 Ų | 145.2 | 80% | 0.796 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -56 | 148.3 | 175.6 | 48.1 | -92.3 | 0 | 0 | 0 | 113.5 | ||
| 132 | R | 30 | Very low | 35.8 | Very low | 247 Ų | 247 | 140.8 Ų | 140.8 | 93% | 0.932 | 80% | 0.798 | S | S | * | * | trans | -132.9 | 134.4 | 152.6 | -95 | -163.6 | 173.8 | -153.4 | 0.1 | 110.9 | ||||
| 133 | T | 34.5 | Very low | 36.2 | Very low | 140 Ų | 140 | 142.1 Ų | 142.1 | 86% | 0.859 | 80% | 0.798 | S | S | * | * | trans | -77.3 | 127.1 | -176.9 | -13.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 134 | G | 28.8 | Very low | 36.2 | Very low | 71 Ų | 71 | 140.3 Ų | 140.3 | 73% | 0.732 | 80% | 0.801 | S | S | * | * | trans | -138.8 | 112.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | L136 | G134-L136 PolarHBondContact O-N 3.38Š| ||
| 135 | S | 42.9 | Very low | 36.1 | Very low | 122 Ų | 122 | 137.6 Ų | 137.6 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | trans | -82.7 | 109.8 | -175.1 | -61.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 136 | L | 33.1 | Very low | 35.8 | Very low | 167 Ų | 167 | 138.3 Ų | 138.3 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | trans | -122.7 | 129.8 | 161.6 | -70.6 | 175 | 0 | 0 | 0 | 109.1 | G134 P138 | G134-L136 PolarHBondContact O-N 3.38Å; L136-P138 WeakPolarHBondContact O-CD 3.47Å | ||
| 137 | K | 38.8 | Very low | 35.5 | Very low | 205 Ų | 205 | 134.4 Ų | 134.4 | 89% | 0.891 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 127.8 | 179.3 | -70.5 | 175.9 | 174.7 | 177.4 | 0 | 110.5 | ||
| 138 | P | 30.4 | Very low | 34.8 | Very low | 128 Ų | 128 | 134.8 Ų | 134.8 | 83% | 0.831 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 122.8 | 152.2 | -6.5 | 24.6 | 0 | 0 | 0 | 108.3 | L136 | L136-P138 WeakPolarHBondContact O-CD 3.47Š|
| 139 | N | 34.4 | Very low | 34.3 | Very low | 152 Ų | 152 | 139.1 Ų | 139.1 | 81% | 0.813 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 150.5 | 162.4 | -141.9 | 31.3 | 0 | 0 | 0 | 107.9 | A141 | N139-A141 PolarHBondContact O-N 3.43Š|
| 140 | P | 35.3 | Very low | 34.2 | Very low | 115 Ų | 115 | 136.3 Ų | 136.3 | 75% | 0.747 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 134.4 | -170.4 | 28.1 | -33.8 | 0 | 0 | 0 | 111.8 | ||
| 141 | A | 31.4 | Very low | 34.4 | Very low | 97 Ų | 97 | 132.9 Ų | 132.9 | 80% | 0.802 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 134.4 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | N139 | N139-A141 PolarHBondContact O-N 3.43Š|
| 142 | S | 34.6 | Very low | 35.2 | Very low | 108 Ų | 108 | 126 Ų | 126 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 142 | 178.4 | -54.2 | 0 | 0 | 0 | 0 | 111.7 | L144 | S142-L144 PolarHBondContact O-N 3.44Š|
| 143 | P | 37.3 | Very low | 36.3 | Very low | 126 Ų | 126 | 120.3 Ų | 120.3 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 135.3 | 172 | -22 | 33.3 | 0 | 0 | 0 | 111.7 | ||
| 144 | L | 33.7 | Very low | 36.8 | Very low | 161 Ų | 161 | 117.1 Ų | 117.1 | 84% | 0.843 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 146.7 | 162.5 | -69.1 | 171.6 | 0 | 0 | 0 | 109.4 | S142 A146 | S142-L144 PolarHBondContact O-N 3.44Å; L144-A146 PolarHBondContact O-N 3.21Å; L144-A146 VanDerWaalsContact O-N 3.13Å |
| 145 | P | 31.6 | Very low | 37.7 | Very low | 126 Ų | 126 | 115.5 Ų | 115.5 | 82% | 0.818 | 72% | 0.722 | S | S | * | * | trans | -66.9 | 114.4 | -177.7 | 26.7 | -33.9 | 0 | 0 | 0 | 110.8 | ||||
| 146 | A | 31.3 | Very low | 38 | Very low | 93 Ų | 93 | 115 Ų | 115 | 77% | 0.769 | 72% | 0.719 | S | S | * | * | trans | -66.2 | 133.7 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | L144 P148 | L144-A146 PolarHBondContact O-N 3.21Å; L144-A146 VanDerWaalsContact O-N 3.13Å; A146-P148 WeakPolarHBondContact O-CD 3.48Å | ||
| 147 | S | 33.1 | Very low | 38.4 | Very low | 92 Ų | 92 | 115.8 Ų | 115.8 | 64% | 0.643 | 71% | 0.711 | S | S | * | * | trans | -66.7 | 123.5 | 174.6 | -174.8 | 0 | 0 | 0 | 0 | 110 | Y149 | S147-Y149 PolarHBondContact O-N 3.38Š| ||
| 148 | P | 36.2 | Very low | 38.7 | Very low | 120 Ų | 120 | 108.9 Ų | 108.9 | 78% | 0.779 | 69% | 0.692 | S | S | * | * | trans | -77.6 | 88.9 | 178.8 | 31.6 | -33.6 | 0 | 0 | 0 | 110.1 | A146 G150 | A146-P148 WeakPolarHBondContact O-CD 3.48Å; P148-G150 PolarHBondContact O-N 3.44Å | ||
| 149 | Y | 36.3 | Very low | 39.1 | Very low | 201 Ų | 201 | 108.9 Ų | 108.9 | 79% | 0.788 | 69% | 0.691 | S | S | * | * | trans | -64 | 122.3 | 159.6 | -86.7 | -86.4 | 0 | 0 | 0 | 108.5 | S147 G151 | S147-Y149 PolarHBondContact O-N 3.38Å; Y149-G151 PolarHBondContact O-N 3.37Å | ||
| 150 | G | 39 | Very low | 38.9 | Very low | 74 Ų | 74 | 104.5 Ų | 104.5 | 76% | 0.763 | 68% | 0.675 | S | S | * | * | trans | -72.2 | 112.6 | -169 | 0 | 0 | 0 | 0 | 0 | 112.9 | P148 | P148-G150 PolarHBondContact O-N 3.44Š| ||
| 151 | G | 38.8 | Very low | 38.6 | Very low | 42 Ų | 42 | 104.2 Ų | 104.2 | 43% | 0.433 | 68% | 0.676 | S | S | . | * | trans | -64.7 | 165.5 | 157.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y149 T153 | Y149-G151 PolarHBondContact O-N 3.37Å; G151-T153 PolarHBondContact O-N 3.14Å; G151-T153 VanDerWaalsContact O-N 3.1Å | ||
| 152 | P | 47.1 | Very low | 39.1 | Very low | 59 Ų | 59 | 106.5 Ų | 106.5 | 38% | 0.383 | 68% | 0.68 | S | S | . | * | trans | -63.6 | 114 | -175.7 | 26.1 | -34.7 | 0 | 0 | 0 | 111.1 | Y320 L347 | P152-Y320 HydrophobicContact CB-CE1 4.27Å; P152-Y320 HydrophobicContact CG-CE1 4.49Å; P152-L347 WeakPolarHBondContact CD-O 3.44Å; P152-L347 WeakPolarHBondContact CG-O 3.37Å | ||
| 153 | T | 53.6 | Low | 39.5 | Very low | 127 Ų | 127 | 107 Ų | 107 | 78% | 0.779 | 68% | 0.681 | S | S | * | * | trans | -64.6 | 128.2 | 176.8 | 36.1 | 0 | 0 | 0 | 0 | 110.6 | G151 | G151-T153 PolarHBondContact O-N 3.14Å; G151-T153 VanDerWaalsContact O-N 3.1Å | ||
| 154 | P | 44.5 | Very low | 39.2 | Very low | 73 Ų | 73 | 106.2 Ų | 106.2 | 47% | 0.474 | 69% | 0.685 | S | S | . | * | trans | -65.9 | 144.3 | 173.6 | 28.8 | -34.3 | 0 | 0 | 0 | 109.6 | S156 H318 | P154-S156 PolarHBondContact O-N 3.29Å; P154-H318 HydrophobicContact CB-CB 4.15Å | ||
| 155 | A | 49.3 | Very low | 38.9 | Very low | 37 Ų | 37 | 101.9 Ų | 101.9 | 31% | 0.306 | 68% | 0.679 | S | S | . | * | trans | -72.2 | 113.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | F319 | A155-F319 HydrophobicContact CB-CD1 4.41Å; A155-F319 HydrophobicContact CB-CD2 3.99Å; A155-F319 HydrophobicContact CB-CE1 3.92Å; A155-F319 HydrophobicContact CB-CE2 3.45Å; A155-F319 VanDerWaalsContact CB-CE2 3.45Å; A155-F319 HydrophobicContact CB-CG 4.45Å; A155-F319 HydrophobicContact CB-CZ 3.4Å; A155-F319 VanDerWaalsContact CB-CZ 3.4Å; A155-F319 PolarHBondContact N-O 3.36Å; A155-F319 WeakPolarHBondContact O-CE1 3.45Å | ||
| 156 | S | 47.4 | Very low | 39.2 | Very low | 112 Ų | 112 | 101.4 Ų | 101.4 | 78% | 0.783 | 68% | 0.676 | S | S | * | * | trans | -63 | 141 | 173.7 | -56.4 | 0 | 0 | 0 | 0 | 111 | P154 | P154-S156 PolarHBondContact O-N 3.29Š| ||
| 157 | Y | 41.4 | Very low | 39.5 | Very low | 183 Ų | 183 | 101.7 Ų | 101.7 | 72% | 0.718 | 68% | 0.678 | S | S | * | * | trans | -74.2 | 141 | 163.5 | 58.9 | -93.4 | 0 | 0 | 0 | 109.6 | ||||
| 158 | A | 46.3 | Very low | 39.3 | Very low | 60 Ų | 60 | 106.1 Ų | 106.1 | 50% | 0.496 | 69% | 0.686 | S | S | . | * | B | Isolated β-bridge | trans | -120.4 | 120.3 | 172 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||
| 159 | T | 38.3 | Very low | 39.3 | Very low | 129 Ų | 129 | 106 Ų | 106 | 79% | 0.791 | 69% | 0.686 | S | S | * | * | trans | -70.4 | 135.7 | 159.8 | -10.4 | 0 | 0 | 0 | 0 | 107.6 | S161 | T159-S161 PolarHBondContact O-N 2.86Š| ||
| 160 | A | 29.9 | Very low | 39 | Very low | 60 Ų | 60 | 102.9 Ų | 102.9 | 50% | 0.496 | 69% | 0.687 | S | S | . | * | trans | -66.7 | 120.6 | -167.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | V294 | A160-V294 HydrophobicContact CB-CG2 4.23Š| ||
| 161 | S | 29.9 | Very low | 38.6 | Very low | 108 Ų | 108 | 108.1 Ų | 108.1 | 76% | 0.755 | 69% | 0.692 | S | S | * | * | trans | -162.7 | 84 | 170.8 | -75.6 | 0 | 0 | 0 | 0 | 111.5 | T159 | T159-S161 PolarHBondContact O-N 2.86Š| ||
| 162 | T | 42.5 | Very low | 38.3 | Very low | 145 Ų | 145 | 111.9 Ų | 111.9 | 89% | 0.89 | 71% | 0.706 | S | S | * | * | trans | 56.8 | 163 | 156.1 | 37.5 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 163 | P | 41.7 | Very low | 37.4 | Very low | 120 Ų | 120 | 118.9 Ų | 118.9 | 78% | 0.779 | 73% | 0.73 | S | S | * | * | trans | -124.3 | -179.8 | -147.8 | 44.5 | -34 | 0 | 0 | 0 | 117.7 | ||||
| 164 | A | 31.6 | Very low | 36.5 | Very low | 108 Ų | 108 | 118.2 Ų | 118.2 | 89% | 0.893 | 73% | 0.726 | S | S | * | * | trans | 99.1 | 123.5 | 155.5 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 165 | G | 27.1 | Very low | 35.7 | Very low | 70 Ų | 70 | 119.2 Ų | 119.2 | 72% | 0.722 | 74% | 0.74 | S | S | * | * | trans | -179.9 | 141.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 166 | P | 38.1 | Very low | 34.8 | Very low | 116 Ų | 116 | 126.1 Ų | 126.1 | 75% | 0.753 | 77% | 0.766 | S | S | * | * | trans | -84.2 | 156.5 | -166 | 33 | -36.6 | 0 | 0 | 0 | 114.9 | ||||
| 167 | A | 38.3 | Very low | 34 | Very low | 99 Ų | 99 | 126.2 Ų | 126.2 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | trans | -88.1 | 142.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 168 | F | 28 | Very low | 33.7 | Very low | 186 Ų | 186 | 124.5 Ų | 124.5 | 82% | 0.816 | 77% | 0.773 | S | S | * | * | trans | -104.7 | 138.7 | 174 | -68.7 | -87.9 | 0 | 0 | 0 | 111.4 | ||||
| 169 | P | 35.6 | Very low | 33.2 | Very low | 118 Ų | 118 | 133.1 Ų | 133.1 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -82 | 120.2 | 178.8 | 31.5 | -33.1 | 0 | 0 | 0 | 112.2 | ||
| 170 | V | 30.7 | Very low | 32.8 | Very low | 134 Ų | 134 | 130.7 Ų | 130.7 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 117.9 | 170.2 | 175.8 | 0 | 0 | 0 | 0 | 109.7 | ||
| 171 | Q | 31.4 | Very low | 33 | Very low | 184 Ų | 184 | 133.3 Ų | 133.3 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 119.5 | 172.3 | -66.5 | -168.3 | 8.3 | 0 | 0 | 111.1 | K173 | Q171-K173 PolarHBondContact O-N 2.98Š|
| 172 | V | 31.5 | Very low | 33.6 | Very low | 122 Ų | 122 | 131.4 Ų | 131.4 | 74% | 0.739 | 80% | 0.803 | S | S | * | * | trans | -85.1 | 105 | 175.5 | -178.7 | 0 | 0 | 0 | 0 | 109.7 | V174 | V172-V174 HydrophobicContact CG1-CG2 4.18Å; V172-V174 PolarHBondContact O-N 3.26Å | ||
| 173 | K | 29 | Very low | 33.4 | Very low | 205 Ų | 205 | 130.4 Ų | 130.4 | 89% | 0.891 | 80% | 0.799 | S | S | * | * | trans | -84.4 | 89.1 | 178.3 | -165.9 | 170.1 | -175.3 | 175.6 | 0 | 111.2 | Q171 A175 | Q171-K173 PolarHBondContact O-N 2.98Å; K173-A175 PolarHBondContact O-N 2.81Å | ||
| 174 | V | 33.4 | Very low | 33.1 | Very low | 114 Ų | 114 | 131 Ų | 131 | 69% | 0.691 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 125.6 | 175.1 | -179.8 | 0 | 0 | 0 | 0 | 110.4 | V172 | V172-V174 HydrophobicContact CG1-CG2 4.18Å; V172-V174 PolarHBondContact O-N 3.26Å |
| 175 | A | 28.8 | Very low | 33.3 | Very low | 93 Ų | 93 | 137.5 Ų | 137.5 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 128.8 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | K173 | K173-A175 PolarHBondContact O-N 2.81Š|
| 176 | Q | 30.1 | Very low | 33.7 | Very low | 182 Ų | 182 | 146 Ų | 146 | 85% | 0.85 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 141.8 | 177.3 | -67.9 | -168.5 | 3.7 | 0 | 0 | 111.3 | V178 | Q176-V178 PolarHBondContact O-N 3.4Š|
| 177 | P | 30.3 | Very low | 33.3 | Very low | 114 Ų | 114 | 144.1 Ų | 144.1 | 74% | 0.74 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 121.7 | 171.3 | 30.5 | -32.5 | 0 | 0 | 0 | 110.4 | R179 | P177-R179 PolarHBondContact O-N 3.07Š|
| 178 | V | 34.5 | Very low | 32.8 | Very low | 148 Ų | 148 | 144.3 Ų | 144.3 | 90% | 0.897 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 126 | 167.8 | 179.6 | 0 | 0 | 0 | 0 | 108.5 | Q176 | Q176-V178 PolarHBondContact O-N 3.4Š|
| 179 | R | 35.6 | Very low | 33.1 | Very low | 241 Ų | 241 | 140.7 Ų | 140.7 | 91% | 0.909 | 82% | 0.816 | S | S | * | * | trans | -104.3 | 124.4 | 172.9 | -83 | -173 | 169.3 | -165.4 | -1.3 | 110.3 | P177 | P177-R179 PolarHBondContact O-N 3.07Š| ||
| 180 | G | 31.3 | Very low | 33.1 | Very low | 77 Ų | 77 | 144.4 Ų | 144.4 | 79% | 0.794 | 82% | 0.823 | S | S | * | * | trans | 125.6 | 81.4 | 139.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 181 | C | 33.8 | Very low | 32.9 | Very low | 115 Ų | 115 | 142.5 Ų | 142.5 | 78% | 0.777 | 82% | 0.821 | S | S | * | * | trans | -136.7 | 104.5 | 152.2 | 21.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 182 | G | 42.1 | Very low | 33 | Very low | 68 Ų | 68 | 139.7 Ų | 139.7 | 70% | 0.701 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -92.2 | 152.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 183 | P | 38.3 | Very low | 32.8 | Very low | 124 Ų | 124 | 137.4 Ų | 137.4 | 81% | 0.805 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 140.7 | -175.8 | 28.5 | -35 | 0 | 0 | 0 | 112 | R185 | P183-R185 PolarHBondContact O-N 2.78Š|
| 184 | P | 35.3 | Very low | 33.6 | Very low | 132 Ų | 132 | 133.9 Ų | 133.9 | 86% | 0.857 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 127.4 | 179.8 | 28.3 | -34.2 | 0 | 0 | 0 | 111.5 | ||
| 185 | R | 35.3 | Very low | 33.7 | Very low | 245 Ų | 245 | 136.1 Ų | 136.1 | 93% | 0.925 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 139.5 | 165.3 | -92.3 | -173.2 | 169.9 | -95.7 | -0.1 | 110.2 | P183 | P183-R185 PolarHBondContact O-N 2.78Š|
| 186 | R | 35.6 | Very low | 34.4 | Very low | 248 Ų | 248 | 137.8 Ų | 137.8 | 94% | 0.936 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 138.6 | 174 | -57.3 | -177 | -173 | -155.2 | 1.7 | 110.7 | ||
| 187 | G | 29.7 | Very low | 34.3 | Very low | 77 Ų | 77 | 132.3 Ų | 132.3 | 79% | 0.794 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 153.9 | 159.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 188 | A | 29.3 | Very low | 35.2 | Very low | 103 Ų | 103 | 133.5 Ų | 133.5 | 85% | 0.851 | 83% | 0.832 | S | S | * | * | trans | -147 | 152.4 | 163.4 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 189 | S | 34.1 | Very low | 35 | Very low | 111 Ų | 111 | 134.3 Ų | 134.3 | 78% | 0.776 | 83% | 0.825 | S | S | * | * | trans | -125.6 | 155.3 | -153.1 | -52.4 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 190 | Q | 34.2 | Very low | 34.9 | Very low | 196 Ų | 196 | 131.6 Ų | 131.6 | 92% | 0.916 | 82% | 0.82 | S | S | * | * | trans | 89.6 | 154.4 | 157.7 | -54 | -167.5 | 78.3 | 0 | 0 | 120.8 | ||||
| 191 | A | 26.8 | Very low | 35.7 | Very low | 93 Ų | 93 | 133.5 Ų | 133.5 | 77% | 0.769 | 82% | 0.819 | S | S | * | * | trans | 93.2 | 109 | 157.1 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 192 | S | 33.4 | Very low | 35.6 | Very low | 126 Ų | 126 | 135.8 Ų | 135.8 | 88% | 0.881 | 82% | 0.822 | S | S | * | * | trans | 55.2 | 139.4 | 132.3 | -51.7 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 193 | G | 27.8 | Very low | 35.7 | Very low | 73 Ų | 73 | 138.5 Ų | 138.5 | 75% | 0.753 | 83% | 0.828 | S | S | * | * | trans | -91.3 | -161.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 194 | P | 45.1 | Very low | 35.2 | Very low | 132 Ų | 132 | 136.1 Ų | 136.1 | 86% | 0.857 | 83% | 0.826 | S | S | * | * | cis | -133.7 | -164.1 | 18.2 | 43.3 | -25.2 | 0 | 0 | 0 | 116.6 | ||||
| 195 | L | 35.4 | Very low | 35 | Very low | 161 Ų | 161 | 140.1 Ų | 140.1 | 84% | 0.843 | 82% | 0.824 | S | S | * | * | trans | -29.5 | 159.8 | 173.4 | -71.2 | 176.7 | 0 | 0 | 0 | 119.5 | ||||
| 196 | P | 43.4 | Very low | 34.6 | Very low | 127 Ų | 127 | 131.1 Ų | 131.1 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | cis | -142 | -172.8 | 40.2 | 40.1 | -18.5 | 0 | 0 | 0 | 119 | ||||
| 197 | G | 29.2 | Very low | 34.3 | Very low | 67 Ų | 67 | 127.1 Ų | 127.1 | 69% | 0.691 | 80% | 0.799 | S | S | * | * | trans | -89.2 | -159.4 | -172.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 198 | P | 49.9 | Very low | 34.4 | Very low | 140 Ų | 140 | 128.9 Ų | 128.9 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | -140 | -147.8 | 65.3 | 41.6 | -23.2 | 0 | 0 | 0 | 116.2 | |||||
| 199 | H | 28.4 | Very low | 34.3 | Very low | 165 Ų | 165 | 136 Ų | 136 | 76% | 0.764 | 80% | 0.799 | S | S | * | * | trans | -126.4 | -178.1 | -144 | -129.3 | -119 | 0 | 0 | 0 | 117 | ||||
| 200 | F | 34.5 | Very low | 34 | Very low | 183 Ų | 183 | 134.2 Ų | 134.2 | 80% | 0.803 | 80% | 0.798 | S | S | * | * | trans | 102.1 | 153.6 | 160.2 | -58.7 | -69.6 | 0 | 0 | 0 | 118.9 | ||||
| 201 | P | 47.4 | Very low | 35.2 | Very low | 117 Ų | 117 | 131.5 Ų | 131.5 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | -137.1 | 177.6 | -65.1 | 37.6 | -19.2 | 0 | 0 | 0 | 115.7 | |||||
| 202 | L | 32.2 | Very low | 35.2 | Very low | 163 Ų | 163 | 131 Ų | 131 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | trans | -91.4 | 167.5 | 168.6 | -79 | 166 | 0 | 0 | 0 | 112.7 | ||||
| 203 | P | 43.5 | Very low | 34.9 | Very low | 125 Ų | 125 | 134.2 Ų | 134.2 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | -145.2 | 166.5 | 113 | 39.2 | -25.7 | 0 | 0 | 0 | 116.5 | |||||
| 204 | G | 28 | Very low | 34.8 | Very low | 74 Ų | 74 | 139.3 Ų | 139.3 | 76% | 0.763 | 79% | 0.793 | S | S | * | * | trans | -111.8 | -153.1 | 159.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 205 | R | 32.3 | Very low | 33.9 | Very low | 216 Ų | 216 | 138 Ų | 138 | 82% | 0.815 | 79% | 0.787 | S | S | * | * | cis | -168.1 | 149.5 | -10.2 | -178.1 | -171.5 | -179.5 | -81.6 | 1.9 | 107.9 | E207 | R205-E207 IonicContact NH1-OE1 3.9Å; R205-E207 PolarHBondContact NH1-OE1 3.01Å | ||
| 206 | G | 26.2 | Very low | 33.3 | Very low | 56 Ų | 56 | 139.1 Ų | 139.1 | 58% | 0.577 | 79% | 0.788 | S | S | * | * | trans | 163.5 | 128.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 207 | E | 30.1 | Very low | 32.5 | Very low | 164 Ų | 164 | 143 Ų | 143 | 77% | 0.766 | 79% | 0.786 | S | S | * | * | 80 | 133 | 61.6 | -72.9 | 172 | 177.8 | 0 | 0 | 113.8 | R205 | R205-E207 IonicContact NH1-OE1 3.9Å; R205-E207 PolarHBondContact NH1-OE1 3.01Å | |||
| 208 | V | 30.5 | Very low | 32.5 | Very low | 115 Ų | 115 | 147 Ų | 147 | 70% | 0.697 | 79% | 0.786 | S | S | * | * | cis | -163.8 | 166.5 | -15.9 | 74.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 209 | W | 27 | Very low | 32.1 | Very low | 251 Ų | 251 | 146.3 Ų | 146.3 | 95% | 0.951 | 78% | 0.782 | S | S | * | * | trans | 69.4 | 148.4 | 165 | -73.8 | -14.2 | 0 | 0 | 0 | 122.3 | ||||
| 210 | G | 28.7 | Very low | 32 | Very low | 74 Ų | 74 | 141.6 Ų | 141.6 | 76% | 0.763 | 78% | 0.778 | S | S | * | * | trans | 110.6 | 109.9 | 136.2 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 211 | P | 59.8 | Low | 32.4 | Very low | 139 Ų | 139 | 139.6 Ų | 139.6 | 90% | 0.903 | 78% | 0.783 | S | S | * | * | trans | -97.7 | 156 | 168.8 | 36.8 | -32.4 | 0 | 0 | 0 | 114.1 | ||||
| 212 | G | 26.4 | Very low | 31.3 | Very low | 83 Ų | 83 | 137.4 Ų | 137.4 | 86% | 0.856 | 78% | 0.782 | S | S | * | * | trans | -158.9 | 170.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 213 | Y | 26.3 | Very low | 31.3 | Very low | 194 Ų | 194 | 134.3 Ų | 134.3 | 76% | 0.761 | 78% | 0.78 | S | S | * | * | trans | -137.2 | 148.1 | -161.5 | 169.7 | -111.6 | 0 | 0 | 0 | 114.6 | ||||
| 214 | R | 27.1 | Very low | 30.8 | Very low | 180 Ų | 180 | 136.5 Ų | 136.5 | 68% | 0.679 | 78% | 0.777 | S | S | * | * | trans | 79.9 | 121.3 | 156.4 | 178 | -178.9 | -77.3 | -157.4 | -1.2 | 121.5 | ||||
| 215 | S | 24.7 | Very low | 30.9 | Very low | 104 Ų | 104 | 139.3 Ų | 139.3 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | trans | 33.4 | 138.4 | 140.5 | -47.7 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 216 | Q | 24.1 | Very low | 31 | Very low | 185 Ų | 185 | 137.5 Ų | 137.5 | 86% | 0.864 | 77% | 0.771 | S | S | * | * | -165.5 | -169.5 | 107.5 | -96.5 | -68.5 | 12.7 | 0 | 0 | 110.8 | |||||
| 217 | R | 26 | Very low | 31.2 | Very low | 209 Ų | 209 | 138.5 Ų | 138.5 | 79% | 0.789 | 77% | 0.773 | S | S | * | * | trans | -135.7 | 155.9 | -154.1 | -125.3 | -170.5 | -178 | -168.6 | 1.9 | 114.5 | ||||
| 218 | E | 28.7 | Very low | 31.2 | Very low | 150 Ų | 150 | 135.9 Ų | 135.9 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | trans | 60.6 | 174.8 | 152.6 | -61.9 | -43.7 | 104.3 | 0 | 0 | 119.4 | ||||
| 219 | P | 43 | Very low | 31.1 | Very low | 126 Ų | 126 | 133.7 Ų | 133.7 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | cis | -114.9 | -159.2 | -5.6 | 45.1 | -32.3 | 0 | 0 | 0 | 112 | ||||
| 220 | G | 26.2 | Very low | 31.4 | Very low | 66 Ų | 66 | 128.4 Ų | 128.4 | 68% | 0.68 | 78% | 0.776 | S | S | * | * | cis | 164.4 | -156.7 | 6 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 221 | P | 42.6 | Very low | 31.5 | Very low | 140 Ų | 140 | 130.3 Ų | 130.3 | 91% | 0.909 | 78% | 0.778 | S | S | * | * | cis | -136.3 | 178.8 | -22.7 | 42.3 | -25.9 | 0 | 0 | 0 | 114.8 | ||||
| 222 | G | 24.6 | Very low | 30 | Very low | 72 Ų | 72 | 127.1 Ų | 127.1 | 74% | 0.742 | 77% | 0.77 | S | S | * | * | trans | 139.9 | 96.7 | 165.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 223 | A | 31.8 | Very low | 30.9 | Very low | 98 Ų | 98 | 130 Ų | 130 | 81% | 0.81 | 77% | 0.773 | S | S | * | * | 65.5 | 124.4 | 86.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 224 | K | 32.7 | Very low | 31.2 | Very low | 171 Ų | 171 | 125.8 Ų | 125.8 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | cis | -157.9 | -172.9 | 11.6 | -112.3 | 168.4 | 151.7 | -119.1 | 0 | 108.8 | ||||
| 225 | E | 31.1 | Very low | 31.4 | Very low | 132 Ų | 132 | 121.1 Ų | 121.1 | 62% | 0.617 | 79% | 0.787 | S | S | * | * | cis | -147.5 | -94.4 | 15.9 | -164.9 | 72.7 | 93.8 | 0 | 0 | 114.2 | ||||
| 226 | E | 32.7 | Very low | 31.8 | Very low | 179 Ų | 179 | 120.3 Ų | 120.3 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | trans | -144.6 | 170.5 | -160.2 | -105 | -175.2 | 81.9 | 0 | 0 | 113.2 | ||||
| 227 | A | 31.9 | Very low | 32.1 | Very low | 76 Ų | 76 | 115.4 Ų | 115.4 | 63% | 0.628 | 79% | 0.793 | S | S | * | * | cis | -159.3 | 161.9 | 2.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 228 | A | 29.9 | Very low | 32.7 | Very low | 110 Ų | 110 | 117.4 Ų | 117.4 | 91% | 0.909 | 80% | 0.801 | S | S | * | * | trans | 55.4 | 149.6 | 153.1 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 229 | G | 28.4 | Very low | 32.9 | Very low | 69 Ų | 69 | 114.4 Ų | 114.4 | 71% | 0.711 | 81% | 0.81 | S | S | * | * | cis | 175.1 | 123.4 | -9.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 230 | V | 32.1 | Very low | 32.5 | Very low | 139 Ų | 139 | 112 Ų | 112 | 84% | 0.842 | 81% | 0.809 | S | S | * | * | trans | 26.6 | 122.6 | 148.5 | -164 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 231 | S | 31.7 | Very low | 33.2 | Very low | 115 Ų | 115 | 117.6 Ų | 117.6 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | -171.2 | 153.2 | 92.3 | -67.3 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 232 | G | 27.6 | Very low | 32.9 | Very low | 71 Ų | 71 | 119.9 Ų | 119.9 | 73% | 0.732 | 82% | 0.815 | S | S | * | * | trans | -99.8 | -148 | 170 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 233 | P | 45.3 | Very low | 33.3 | Very low | 144 Ų | 144 | 119.9 Ų | 119.9 | 94% | 0.935 | 82% | 0.815 | S | S | * | * | cis | -129.1 | -154.5 | 15.9 | 43.2 | -25.7 | 0 | 0 | 0 | 114.2 | ||||
| 234 | A | 33.7 | Very low | 34.4 | Very low | 106 Ų | 106 | 120.9 Ų | 120.9 | 88% | 0.876 | 81% | 0.813 | S | S | * | * | trans | -109.7 | 168.6 | -165.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 235 | G | 30.7 | Very low | 34.6 | Very low | 82 Ų | 82 | 121.4 Ų | 121.4 | 85% | 0.845 | 82% | 0.818 | S | S | * | * | trans | -166.1 | 143.8 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 236 | G | 33.8 | Very low | 35.1 | Very low | 86 Ų | 86 | 121 Ų | 121 | 89% | 0.887 | 83% | 0.825 | S | S | * | * | trans | -146 | 152.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 237 | G | 30.2 | Very low | 35.6 | Very low | 82 Ų | 82 | 119.7 Ų | 119.7 | 85% | 0.845 | 82% | 0.818 | S | S | * | * | trans | -160.5 | 160.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 238 | R | 39 | Very low | 36.2 | Very low | 252 Ų | 252 | 122.4 Ų | 122.4 | 95% | 0.951 | 82% | 0.821 | S | S | * | * | trans | -125.3 | 139.3 | -172.2 | -82 | 178.2 | 163.4 | -115.2 | 3.1 | 112.8 | ||||
| 239 | G | 32.1 | Very low | 37 | Very low | 86 Ų | 86 | 122.1 Ų | 122.1 | 89% | 0.887 | 81% | 0.813 | S | S | * | * | trans | 86 | 155.5 | 141.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 240 | G | 35.3 | Very low | 38.2 | Very low | 77 Ų | 77 | 125.6 Ų | 125.6 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | trans | 130.8 | 127.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 241 | E | 40.6 | Very low | 39.5 | Very low | 182 Ų | 182 | 121.2 Ų | 121.2 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | trans | -98.3 | -155.4 | 177.7 | -66.3 | 172.8 | 77 | 0 | 0 | 110.8 | ||||
| 242 | H | 35.1 | Very low | 40.9 | Very low | 188 Ų | 188 | 121.1 Ų | 121.1 | 87% | 0.87 | 78% | 0.782 | S | S | * | * | trans | 78.2 | 110.9 | -178.8 | -34.2 | 96.6 | 0 | 0 | 0 | 115.7 | ||||
| 243 | G | 34.3 | Very low | 42.8 | Very low | 72 Ų | 72 | 124.2 Ų | 124.2 | 74% | 0.742 | 78% | 0.777 | S | S | * | * | trans | -90.1 | -160.8 | 147.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 244 | P | 53.3 | Low | 44.3 | Very low | 119 Ų | 119 | 120.9 Ų | 120.9 | 77% | 0.773 | 75% | 0.752 | S | S | * | * | cis | -125.9 | 178 | 2.4 | 41.8 | -28.6 | 0 | 0 | 0 | 113.5 | ||||
| 245 | Q | 37 | Very low | 46.5 | Very low | 182 Ų | 182 | 120.5 Ų | 120.5 | 85% | 0.85 | 73% | 0.732 | S | S | * | * | 175.3 | 104.5 | 129.8 | -90.5 | -86.7 | -47.2 | 0 | 0 | 109.5 | |||||
| 246 | V | 43 | Very low | 48.8 | Very low | 124 Ų | 124 | 122 Ų | 122 | 75% | 0.752 | 72% | 0.719 | S | S | * | * | trans | -86.8 | 141.5 | 151.7 | -146.5 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 247 | H | 41.6 | Very low | 51.3 | Low | 152 Ų | 152 | 121 Ų | 121 | 70% | 0.704 | 69% | 0.694 | S | S | * | * | -174.7 | 128.2 | 92.9 | -137.7 | -134 | 0 | 0 | 0 | 112.6 | |||||
| 248 | L | 45.2 | Very low | 53.9 | Low | 132 Ų | 132 | 124.3 Ų | 124.3 | 69% | 0.691 | 68% | 0.681 | S | S | * | * | trans | 55.2 | 161.3 | 145.2 | -57.3 | -173.5 | 0 | 0 | 0 | 119.8 | ||||
| 249 | S | 46.3 | Very low | 56.1 | Low | 104 Ų | 104 | 116.5 Ų | 116.5 | 73% | 0.727 | 66% | 0.658 | S | S | * | * | cis | -138.8 | 130.2 | 11.8 | -45.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 250 | Q | 55.3 | Low | 58.7 | Low | 142 Ų | 142 | 115.7 Ų | 115.7 | 66% | 0.664 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -79.3 | 147 | 133.1 | -74.5 | -167.5 | -105.7 | 0 | 0 | 107.2 | ||
| 251 | P | 57.4 | Low | 61.1 | Low | 48 Ų | 48 | 118.2 Ų | 118.2 | 31% | 0.312 | 63% | 0.625 | S | S | . | * | trans | -67.5 | 141.6 | -179.5 | 31.2 | -35.7 | 0 | 0 | 0 | 109.6 | E253 D254 | P251-E253 HydrophobicContact CB-CG 3.9Å; P251-E253 VanDerWaalsContact CB-OE1 3.22Å; P251-E253 WeakPolarHBondContact CB-OE1 3.15Å; P251-E253 HydrophobicContact CG-CG 4.04Å; P251-E253 PolarHBondContact O-N 2.79Å; P251-D254 HydrophobicContact CG-CB 4.48Å; P251-D254 PolarHBondContact O-N 3.12Å; P251-D254 VanDerWaalsContact O-N 3.12Å | ||
| 252 | P | 61.9 | Low | 63 | Low | 113 Ų | 113 | 115.8 Ų | 115.8 | 73% | 0.734 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -64.4 | -15.2 | -176.2 | 26.6 | -34.9 | 0 | 0 | 0 | 113.1 | L256 | P252-L256 WeakPolarHBondContact O-CB 3.37Å; P252-L256 PolarHBondContact O-N 2.99Å |
| 253 | E | 66.9 | Low | 65.1 | Low | 135 Ų | 135 | 112.5 Ų | 112.5 | 63% | 0.631 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -68.1 | -32.9 | 174.2 | 69.8 | -148.4 | 156 | 0 | 0 | 113.6 | P251 D257 | P251-E253 HydrophobicContact CB-CG 3.9Å; P251-E253 VanDerWaalsContact CB-OE1 3.22Å; P251-E253 WeakPolarHBondContact CB-OE1 3.15Å; P251-E253 HydrophobicContact CG-CG 4.04Å; P251-E253 PolarHBondContact O-N 2.79Å; E253-D257 WeakPolarHBondContact O-CB 2.85Å; E253-D257 PolarHBondContact O-N 2.92Å |
| 254 | D | 76.6 | Confident | 67.5 | Low | 75 Ų | 75 | 112.3 Ų | 112.3 | 40% | 0.401 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -67 | -45 | 177.2 | -85.6 | -28.5 | 0 | 0 | 0 | 111.5 | P251 D257 R258 | P251-D254 HydrophobicContact CG-CB 4.48Å; P251-D254 PolarHBondContact O-N 3.12Å; P251-D254 VanDerWaalsContact O-N 3.12Å; D254-D257 PolarHBondContact O-N 2.8Å; D254-R258 WeakPolarHBondContact O-CB 3.47Å; D254-R258 VanDerWaalsContact O-CG 3.27Å; D254-R258 WeakPolarHBondContact O-CG 3.27Å; D254-R258 PolarHBondContact O-N 2.86Å |
| 255 | E | 81.3 | Confident | 68.7 | Low | 98 Ų | 98 | 111.6 Ų | 111.6 | 46% | 0.458 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -74.7 | -33.4 | 179.6 | -166.9 | 60.1 | -161.4 | 0 | 0 | 110.8 | R258 L259 | E255-R258 PolarHBondContact O-N 3.05Å; E255-R258 WeakPolarHBondContact OE2-CD 3.34Å; E255-R258 IonicContact OE2-NH1 3.96Å; E255-R258 PolarHBondContact OE2-NH1 2.83Å; E255-L259 HydrophobicContact CG-CD1 4.37Å; E255-L259 WeakPolarHBondContact O-CB 3.34Å; E255-L259 WeakPolarHBondContact O-CD1 3.41Å; E255-L259 WeakPolarHBondContact O-CG 3.28Å; E255-L259 PolarHBondContact O-N 3.37Å |
| 256 | L | 79.6 | Confident | 70.5 | Confident | 112 Ų | 112 | 106.7 Ų | 106.7 | 59% | 0.586 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -66 | -40.9 | 171.3 | -173.3 | 65.3 | 0 | 0 | 0 | 112.1 | P252 L259 T260 | P252-L256 WeakPolarHBondContact O-CB 3.37Å; P252-L256 PolarHBondContact O-N 2.99Å; L256-L259 PolarHBondContact O-N 3.31Å; L256-T260 VanDerWaalsContact O-CB 3.25Å; L256-T260 WeakPolarHBondContact O-CB 3.25Å; L256-T260 PolarHBondContact O-N 3.45Å; L256-T260 PolarHBondContact O-OG1 2.91Å |
| 257 | D | 84.9 | Confident | 71.8 | Confident | 66 Ų | 66 | 107.3 Ų | 107.3 | 35% | 0.353 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.1 | -40.6 | 174 | 168.9 | 79.6 | 0 | 0 | 0 | 111.4 | E253 D254 T260 K261 | E253-D257 WeakPolarHBondContact O-CB 2.85Å; E253-D257 PolarHBondContact O-N 2.92Å; D254-D257 PolarHBondContact O-N 2.8Å; D257-T260 PolarHBondContact O-N 2.76Å; D257-K261 VanDerWaalsContact O-CB 3.27Å; D257-K261 WeakPolarHBondContact O-CB 3.45Å; D257-K261 WeakPolarHBondContact O-CG 3.48Å; D257-K261 PolarHBondContact O-N 3.42Å; D257-K261 WeakPolarHBondContact OD1-CE 3.24Å; D257-K261 IonicContact OD1-NZ 2.88Å; D257-K261 PolarHBondContact OD1-NZ 3.17Å; D257-K261 WeakPolarHBondContact OD2-CD 3.34Å; D257-K261 WeakPolarHBondContact OD2-CE 3.22Å; D257-K261 IonicContact OD2-NZ 2.66Å; D257-K261 PolarHBondContact OD2-NZ 2.97Å |
| 258 | R | 85.3 | Confident | 73.3 | Confident | 151 Ų | 151 | 105.3 Ų | 105.3 | 57% | 0.57 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -61.7 | -47.1 | 172 | -78.4 | 169.1 | 143.6 | -164.4 | -2.8 | 112.9 | D254 E255 T260 K261 K262 | D254-R258 WeakPolarHBondContact O-CB 3.47Å; D254-R258 VanDerWaalsContact O-CG 3.27Å; D254-R258 WeakPolarHBondContact O-CG 3.27Å; D254-R258 PolarHBondContact O-N 2.86Å; E255-R258 PolarHBondContact O-N 3.05Å; E255-R258 WeakPolarHBondContact OE2-CD 3.34Å; E255-R258 IonicContact OE2-NH1 3.96Å; E255-R258 PolarHBondContact OE2-NH1 2.83Å; R258-T260 VanDerWaalsContact C-N 3.33Å; R258-K261 PolarHBondContact O-N 3.38Å; R258-K262 WeakPolarHBondContact O-CB 3.4Å; R258-K262 PolarHBondContact O-N 3.13Å |
| 259 | L | 84.4 | Confident | 74.1 | Confident | 88 Ų | 88 | 104.7 Ų | 104.7 | 46% | 0.461 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.7 | -41.4 | 175.6 | -72.5 | 166.8 | 0 | 0 | 0 | 110.9 | E255 L256 K262 L263 | E255-L259 HydrophobicContact CG-CD1 4.37Å; E255-L259 WeakPolarHBondContact O-CB 3.34Å; E255-L259 WeakPolarHBondContact O-CD1 3.41Å; E255-L259 WeakPolarHBondContact O-CG 3.28Å; E255-L259 PolarHBondContact O-N 3.37Å; L256-L259 PolarHBondContact O-N 3.31Å; L259-K262 PolarHBondContact O-N 2.82Å; L259-L263 WeakPolarHBondContact O-CB 3.47Å; L259-L263 VanDerWaalsContact O-CG 3.26Å; L259-L263 WeakPolarHBondContact O-CG 3.38Å; L259-L263 PolarHBondContact O-N 3.44Å |
| 260 | T | 87.1 | Confident | 74.6 | Confident | 69 Ų | 69 | 103.5 Ų | 103.5 | 42% | 0.423 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.5 | -45.5 | 177.4 | -56.8 | 0 | 0 | 0 | 0 | 111.2 | L256 D257 R258 K262 L263 V264 | L256-T260 VanDerWaalsContact O-CB 3.25Å; L256-T260 WeakPolarHBondContact O-CB 3.25Å; L256-T260 PolarHBondContact O-N 3.45Å; L256-T260 PolarHBondContact O-OG1 2.91Å; D257-T260 PolarHBondContact O-N 2.76Å; R258-T260 VanDerWaalsContact C-N 3.33Å; T260-K262 VanDerWaalsContact C-N 3.3Å; T260-K262 PolarHBondContact O-N 3.43Å; T260-L263 PolarHBondContact O-N 3.31Å; T260-V264 HydrophobicContact CG2-CG2 4.41Å; T260-V264 WeakPolarHBondContact O-CB 3.32Å; T260-V264 VanDerWaalsContact O-CG2 3.25Å; T260-V264 WeakPolarHBondContact O-CG2 3.27Å; T260-V264 PolarHBondContact O-N 3.36Å |
| 261 | K | 86 | Confident | 74.7 | Confident | 130 Ų | 130 | 102.3 Ų | 102.3 | 57% | 0.565 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.8 | -36.1 | 174.6 | -78.6 | 170.2 | 178.8 | 155.8 | 0 | 112 | D257 R258 H265 | D257-K261 VanDerWaalsContact O-CB 3.27Å; D257-K261 WeakPolarHBondContact O-CB 3.45Å; D257-K261 WeakPolarHBondContact O-CG 3.48Å; D257-K261 PolarHBondContact O-N 3.42Å; D257-K261 WeakPolarHBondContact OD1-CE 3.24Å; D257-K261 IonicContact OD1-NZ 2.88Å; D257-K261 PolarHBondContact OD1-NZ 3.17Å; D257-K261 WeakPolarHBondContact OD2-CD 3.34Å; D257-K261 WeakPolarHBondContact OD2-CE 3.22Å; D257-K261 IonicContact OD2-NZ 2.66Å; D257-K261 PolarHBondContact OD2-NZ 2.97Å; R258-K261 PolarHBondContact O-N 3.38Å; K261-H265 WeakPolarHBondContact O-CB 3.02Å; K261-H265 PolarHBondContact O-N 2.97Å |
| 262 | K | 80.8 | Confident | 74.7 | Confident | 131 Ų | 131 | 104.7 Ų | 104.7 | 57% | 0.57 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -67.3 | -48.8 | 173.1 | -172 | -179.9 | 176.5 | -173.8 | 0 | 111.6 | R258 L259 T260 V264 H265 D266 | R258-K262 WeakPolarHBondContact O-CB 3.4Å; R258-K262 PolarHBondContact O-N 3.13Å; L259-K262 PolarHBondContact O-N 2.82Å; T260-K262 VanDerWaalsContact C-N 3.3Å; T260-K262 PolarHBondContact O-N 3.43Å; K262-V264 VanDerWaalsContact C-N 3.31Å; K262-V264 PolarHBondContact O-N 3.48Å; K262-H265 CarbonylContact O-C 3.6Å; K262-H265 WeakPolarHBondContact O-CA 3.34Å; K262-H265 WeakPolarHBondContact O-CB 3.18Å; K262-H265 PolarHBondContact O-N 2.89Å; K262-D266 WeakPolarHBondContact O-CB 3.48Å; K262-D266 PolarHBondContact O-N 2.66Å |
| 263 | L | 79.8 | Confident | 74.6 | Confident | 120 Ų | 120 | 101.1 Ų | 101.1 | 63% | 0.628 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -59.8 | -40.4 | 175.9 | -71.9 | 166.2 | 0 | 0 | 0 | 112 | L259 T260 M267 | L259-L263 WeakPolarHBondContact O-CB 3.47Å; L259-L263 VanDerWaalsContact O-CG 3.26Å; L259-L263 WeakPolarHBondContact O-CG 3.38Å; L259-L263 PolarHBondContact O-N 3.44Å; T260-L263 PolarHBondContact O-N 3.31Å; L263-M267 WeakPolarHBondContact O-CB 3.12Å; L263-M267 PolarHBondContact O-N 2.88Å |
| 264 | V | 84.1 | Confident | 74.5 | Confident | 67 Ų | 67 | 101 Ų | 101 | 41% | 0.406 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -68 | -35.9 | 173.8 | 170.3 | 0 | 0 | 0 | 0 | 111.3 | T260 K262 N268 | T260-V264 HydrophobicContact CG2-CG2 4.41Å; T260-V264 WeakPolarHBondContact O-CB 3.32Å; T260-V264 VanDerWaalsContact O-CG2 3.25Å; T260-V264 WeakPolarHBondContact O-CG2 3.27Å; T260-V264 PolarHBondContact O-N 3.36Å; K262-V264 VanDerWaalsContact C-N 3.31Å; K262-V264 PolarHBondContact O-N 3.48Å; V264-N268 WeakPolarHBondContact O-CB 3.42Å; V264-N268 PolarHBondContact O-N 2.87Å; V264-N268 PolarHBondContact O-ND2 2.8Å |
| 265 | H | 79 | Confident | 74.4 | Confident | 104 Ų | 104 | 104.2 Ų | 104.2 | 48% | 0.481 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.6 | -51.1 | 173.8 | -175.6 | 87.2 | 0 | 0 | 0 | 111.2 | K261 K262 M267 N268 H269 | K261-H265 WeakPolarHBondContact O-CB 3.02Å; K261-H265 PolarHBondContact O-N 2.97Å; K262-H265 CarbonylContact O-C 3.6Å; K262-H265 WeakPolarHBondContact O-CA 3.34Å; K262-H265 WeakPolarHBondContact O-CB 3.18Å; K262-H265 PolarHBondContact O-N 2.89Å; H265-M267 PolarHBondContact O-N 2.96Å; H265-N268 CarbonylContact O-C 3.59Å; H265-N268 PolarHBondContact O-N 3.23Å; H265-N268 VanDerWaalsContact O-N 3.12Å; H265-H269 AromaticContact CD2-ND1 3.85Å; H265-H269 AromaticContact CE1-CE1 3.33Å; H265-H269 PolarHBondContact CE1-CE1 3.2Å; H265-H269 AromaticContact CE1-ND1 3.43Å; H265-H269 PolarHBondContact CE1-ND1 3.25Å; H265-H269 AromaticContact CE1-NE2 3.92Å; H265-H269 AromaticContact CG-ND1 3.7Å; H265-H269 AromaticContact ND1-CE1 3.38Å; H265-H269 PolarHBondContact ND1-CE1 3.42Å; H265-H269 AromaticContact ND1-ND1 3.44Å; H265-H269 PolarHBondContact ND1-ND1 3.41Å; H265-H269 AromaticContact NE2-ND1 3.7Å; H265-H269 WeakPolarHBondContact O-CB 3.45Å; H265-H269 PolarHBondContact O-N 3.07Å; H265-H269 PolarHBondContact O-ND1 2.86Å |
| 266 | D | 73.3 | Confident | 74.1 | Confident | 80 Ų | 80 | 102.3 Ų | 102.3 | 43% | 0.428 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.6 | -28.7 | 179.1 | -60.6 | -14.4 | 0 | 0 | 0 | 111.7 | K262 H269 | K262-D266 WeakPolarHBondContact O-CB 3.48Å; K262-D266 PolarHBondContact O-N 2.66Å; D266-H269 CarbonylContact O-C 3.55Å; D266-H269 VanDerWaalsContact O-C 3.3Å |
| 267 | M | 71.4 | Confident | 74.2 | Confident | 137 Ų | 137 | 97.7 Ų | 97.7 | 68% | 0.675 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -79.3 | -29.9 | 173.7 | -174.8 | -179.6 | 69.7 | 0 | 0 | 113.8 | L263 H265 | L263-M267 WeakPolarHBondContact O-CB 3.12Å; L263-M267 PolarHBondContact O-N 2.88Å; H265-M267 PolarHBondContact O-N 2.96Å |
| 268 | N | 72.9 | Confident | 74.2 | Confident | 110 Ų | 110 | 100.4 Ų | 100.4 | 59% | 0.588 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -87.9 | -17.2 | 174.1 | -77.9 | -84.6 | 0 | 0 | 0 | 112.9 | V264 H265 P270 | V264-N268 WeakPolarHBondContact O-CB 3.42Å; V264-N268 PolarHBondContact O-N 2.87Å; V264-N268 PolarHBondContact O-ND2 2.8Å; H265-N268 CarbonylContact O-C 3.59Å; H265-N268 PolarHBondContact O-N 3.23Å; H265-N268 VanDerWaalsContact O-N 3.12Å; N268-P270 WeakPolarHBondContact O-CD 3.44Å |
| 269 | H | 62.8 | Low | 74.3 | Confident | 118 Ų | 118 | 93.2 Ų | 93.2 | 55% | 0.546 | 49% | 0.49 | S | S | . | . | S | Bend | trans | -118.7 | 61.4 | 170.5 | -51.7 | 80.6 | 0 | 0 | 0 | 108.6 | H265 D266 | H265-H269 AromaticContact CD2-ND1 3.85Å; H265-H269 AromaticContact CE1-CE1 3.33Å; H265-H269 PolarHBondContact CE1-CE1 3.2Å; H265-H269 AromaticContact CE1-ND1 3.43Å; H265-H269 PolarHBondContact CE1-ND1 3.25Å; H265-H269 AromaticContact CE1-NE2 3.92Å; H265-H269 AromaticContact CG-ND1 3.7Å; H265-H269 AromaticContact ND1-CE1 3.38Å; H265-H269 PolarHBondContact ND1-CE1 3.42Å; H265-H269 AromaticContact ND1-ND1 3.44Å; H265-H269 PolarHBondContact ND1-ND1 3.41Å; H265-H269 AromaticContact NE2-ND1 3.7Å; H265-H269 WeakPolarHBondContact O-CB 3.45Å; H265-H269 PolarHBondContact O-N 3.07Å; H265-H269 PolarHBondContact O-ND1 2.86Å; D266-H269 CarbonylContact O-C 3.55Å; D266-H269 VanDerWaalsContact O-C 3.3Å |
| 270 | P | 56.9 | Low | 74.2 | Confident | 80 Ų | 80 | 89.9 Ų | 89.9 | 52% | 0.519 | 48% | 0.477 | S | S | . | . | trans | -55.6 | 140.7 | 175.1 | 27.1 | -34.7 | 0 | 0 | 0 | 108.4 | N268 S272 | N268-P270 WeakPolarHBondContact O-CD 3.44Å; P270-S272 PolarHBondContact O-N 2.77Å | ||
| 271 | P | 57.2 | Low | 74.1 | Confident | 116 Ų | 116 | 89.1 Ų | 89.1 | 75% | 0.753 | 48% | 0.483 | S | S | * | . | trans | -52.2 | 120.8 | 175.7 | 22.7 | -32.8 | 0 | 0 | 0 | 107.8 | G273 | P271-G273 VanDerWaalsContact C-N 3.34Å; P271-G273 PolarHBondContact O-N 3.28Å | ||
| 272 | S | 57.6 | Low | 74.1 | Confident | 99 Ų | 99 | 85.6 Ų | 85.6 | 69% | 0.692 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -73 | 86.4 | -155.9 | 54.7 | 0 | 0 | 0 | 0 | 111.2 | P270 V287 | P270-S272 PolarHBondContact O-N 2.77Å; S272-V287 WeakPolarHBondContact O-CG1 3.48Å |
| 273 | G | 59.3 | Low | 74.2 | Confident | 38 Ų | 38 | 81.4 Ų | 81.4 | 39% | 0.392 | 47% | 0.467 | S | S | . | . | S | Bend | trans | 76.9 | 156.5 | -168.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | P271 Y275 | P271-G273 VanDerWaalsContact C-N 3.34Å; P271-G273 PolarHBondContact O-N 3.28Å; G273-Y275 PolarHBondContact O-N 3.12Å |
| 274 | E | 64.7 | Low | 74.4 | Confident | 131 Ų | 131 | 82.1 Ų | 82.1 | 61% | 0.612 | 47% | 0.468 | S | S | * | . | trans | -62 | 133.7 | 167.9 | -66.7 | -163.6 | 172 | 0 | 0 | 109.7 | F276 G288 | E274-F276 HydrophobicContact CB-CE1 4.3Å; E274-F276 HydrophobicContact CB-CE2 3.76Å; E274-F276 HydrophobicContact CB-CZ 3.61Å; E274-F276 WeakPolarHBondContact O-CD2 3.05Å; E274-F276 VanDerWaalsContact O-CE2 3.23Å; E274-F276 WeakPolarHBondContact O-CE2 3.27Å; E274-G288 PolarHBondContact O-N 3.35Å; E274-G288 VanDerWaalsContact O-N 3.07Å | ||
| 275 | Y | 74.7 | Confident | 74.4 | Confident | 143 Ų | 143 | 82.6 Ų | 82.6 | 56% | 0.561 | 47% | 0.468 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 106 | -179.8 | 171.1 | -102.6 | 0 | 0 | 0 | 109.4 | G273 D285 | G273-Y275 PolarHBondContact O-N 3.12Å; Y275-D285 HydrophobicContact CD2-CB 4.43Å; Y275-D285 HydrophobicContact CE2-CB 3.85Å; Y275-D285 WeakPolarHBondContact CE2-OD1 3.49Å; Y275-D285 PolarHBondContact OH-OD1 2.68Å |
| 276 | F | 74.9 | Confident | 74.6 | Confident | 59 Ų | 59 | 77.6 Ų | 77.6 | 26% | 0.259 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | -10.6 | -176.8 | -63 | -79 | 0 | 0 | 0 | 113.1 | E274 V286 G288 V299 | E274-F276 HydrophobicContact CB-CE1 4.3Å; E274-F276 HydrophobicContact CB-CE2 3.76Å; E274-F276 HydrophobicContact CB-CZ 3.61Å; E274-F276 WeakPolarHBondContact O-CD2 3.05Å; E274-F276 VanDerWaalsContact O-CE2 3.23Å; E274-F276 WeakPolarHBondContact O-CE2 3.27Å; F276-V286 HydrophobicContact CB-CB 4.41Å; F276-V286 HydrophobicContact CB-CG1 4.34Å; F276-V286 PolarHBondContact N-O 2.81Å; F276-G288 WeakPolarHBondContact CE2-O 3.26Å; F276-V299 HydrophobicContact CB-CG1 4.17Å; F276-V299 WeakPolarHBondContact O-CG2 3.17Å |
| 277 | G | 81.9 | Confident | 74.9 | Confident | 15 Ų | 15 | 76.9 Ų | 76.9 | 16% | 0.155 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 109.4 | 171.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | V286 | G277-V286 VanDerWaalsContact O-CB 3.24Å; G277-V286 WeakPolarHBondContact O-CB 3.23Å; G277-V286 WeakPolarHBondContact O-CG2 3.47Å; G277-V286 PolarHBondContact O-N 3.35Å |
| 278 | Q | 85.1 | Confident | 74.9 | Confident | 122 Ų | 122 | 71.1 Ų | 71.1 | 57% | 0.57 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 133.9 | -177.9 | -76.6 | 176.3 | -4.9 | 0 | 0 | 113.5 | G280 G283 D285 | Q278-G280 PolarHBondContact O-N 3.37Å; Q278-G283 WeakPolarHBondContact CB-O 3.46Å; Q278-G283 WeakPolarHBondContact CG-O 3.32Å; Q278-D285 WeakPolarHBondContact CG-OD1 3.18Å |
| 279 | C | 86.7 | Confident | 74.3 | Confident | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 43% | 0.425 | C | S | . | . | B | Isolated β-bridge | trans | -67.1 | 118 | -179.7 | 179.1 | 0 | 0 | 0 | 0 | 111.2 | G281 C282 G283 E284 V286 V299 H301 | C279-G281 PolarHBondContact O-N 3.04Å; C279-C282 WeakPolarHBondContact CB-SG 3.28Å; C279-C282 PolarHBondContact O-N 2.87Å; C279-C282 PolarHBondContact SG-SG 3.16Å; C279-G283 PolarHBondContact O-N 2.87Å; C279-E284 WeakPolarHBondContact CB-O 3.29Å; C279-E284 PolarHBondContact N-O 2.85Å; C279-V286 HydrophobicContact CB-CG2 3.64Å; C279-V299 CarbonylContact C-O 3.3Å; C279-V299 WeakPolarHBondContact CA-O 3.46Å; C279-H301 PolarHBondContact SG-N 2.8Å; C279-H301 VanDerWaalsContact SG-N 3.36Å |
| 280 | G | 82.9 | Confident | 74.3 | Confident | 18 Ų | 18 | 69.4 Ų | 69.4 | 19% | 0.186 | 43% | 0.428 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -11.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116 | Q278 R298 V299 | Q278-G280 PolarHBondContact O-N 3.37Å; G280-R298 VanDerWaalsContact CA-NH1 3.29Å; G280-R298 PolarHBondContact O-NH1 3.42Å; G280-V299 PolarHBondContact N-O 2.93Å |
| 281 | G | 83.3 | Confident | 74.9 | Confident | 53 Ų | 53 | 67.3 Ų | 67.3 | 55% | 0.546 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | -18.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | C279 | C279-G281 PolarHBondContact O-N 3.04Š|
| 282 | C | 86.5 | Confident | 75.9 | Confident | 57 Ų | 57 | 62.9 Ų | 62.9 | 39% | 0.385 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -136.5 | -2.2 | -179.2 | 67.9 | 0 | 0 | 0 | 0 | 115.6 | C279 E284 H301 | C279-C282 WeakPolarHBondContact CB-SG 3.28Å; C279-C282 PolarHBondContact O-N 2.87Å; C279-C282 PolarHBondContact SG-SG 3.16Å; C282-E284 PolarHBondContact O-N 2.85Å; C282-E284 VanDerWaalsContact O-N 3.07Å; C282-H301 PolarHBondContact SG-ND1 3.04Å; C282-H301 VanDerWaalsContact SG-ND1 3.44Å |
| 283 | G | 83.5 | Confident | 77.1 | Confident | 42 Ų | 42 | 59.5 Ų | 59.5 | 43% | 0.433 | 37% | 0.368 | S | S | . | . | S | Bend | trans | 82.9 | -43.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q278 C279 | Q278-G283 WeakPolarHBondContact CB-O 3.46Å; Q278-G283 WeakPolarHBondContact CG-O 3.32Å; C279-G283 PolarHBondContact O-N 2.87Å |
| 284 | E | 84.6 | Confident | 78.2 | Confident | 135 Ų | 135 | 60.3 Ų | 60.3 | 63% | 0.631 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -51.5 | 146.7 | 179.8 | -54.5 | -54.3 | 131.1 | 0 | 0 | 114.3 | C279 C282 | C279-E284 WeakPolarHBondContact CB-O 3.29Å; C279-E284 PolarHBondContact N-O 2.85Å; C282-E284 PolarHBondContact O-N 2.85Å; C282-E284 VanDerWaalsContact O-N 3.07Å |
| 285 | D | 82.9 | Confident | 79 | Confident | 77 Ų | 77 | 54.6 Ų | 54.6 | 41% | 0.412 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 131.4 | -178.3 | -68 | -39.8 | 0 | 0 | 0 | 112.9 | Y275 Q278 V287 | Y275-D285 HydrophobicContact CD2-CB 4.43Å; Y275-D285 HydrophobicContact CE2-CB 3.85Å; Y275-D285 WeakPolarHBondContact CE2-OD1 3.49Å; Y275-D285 PolarHBondContact OH-OD1 2.68Å; Q278-D285 WeakPolarHBondContact CG-OD1 3.18Å; D285-V287 HydrophobicContact CB-CG2 4.14Å |
| 286 | V | 83.9 | Confident | 79.3 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 112.7 | 177 | -174.1 | 0 | 0 | 0 | 0 | 109.5 | F276 G277 C279 A291 V299 | F276-V286 HydrophobicContact CB-CB 4.41Å; F276-V286 HydrophobicContact CB-CG1 4.34Å; F276-V286 PolarHBondContact N-O 2.81Å; G277-V286 VanDerWaalsContact O-CB 3.24Å; G277-V286 WeakPolarHBondContact O-CB 3.23Å; G277-V286 WeakPolarHBondContact O-CG2 3.47Å; G277-V286 PolarHBondContact O-N 3.35Å; C279-V286 HydrophobicContact CB-CG2 3.64Å; V286-A291 HydrophobicContact CG1-CB 4.46Å; V286-V299 HydrophobicContact CB-CG1 4.07Å; V286-V299 HydrophobicContact CG1-CG1 3.99Å; V286-V299 HydrophobicContact CG2-CG1 4.03Å |
| 287 | V | 79.7 | Confident | 79.6 | Confident | 64 Ų | 64 | 53.3 Ų | 53.3 | 39% | 0.388 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 132 | -167.9 | 178.2 | 0 | 0 | 0 | 0 | 111 | S272 D285 A291 | S272-V287 WeakPolarHBondContact O-CG1 3.48Å; D285-V287 HydrophobicContact CB-CG2 4.14Å; V287-A291 WeakPolarHBondContact O-CB 3.43Å |
| 288 | G | 70 | Confident | 79.7 | Confident | 17 Ų | 17 | 58.7 Ų | 58.7 | 18% | 0.175 | 36% | 0.361 | C | S | . | . | S | Bend | trans | 90.4 | 152 | 171.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | E274 F276 G290 A291 | E274-G288 PolarHBondContact O-N 3.35Å; E274-G288 VanDerWaalsContact O-N 3.07Å; F276-G288 WeakPolarHBondContact CE2-O 3.26Å; G288-G290 PolarHBondContact O-N 3.44Å; G288-A291 VanDerWaalsContact O-CB 3.28Å; G288-A291 WeakPolarHBondContact O-CB 3.25Å; G288-A291 PolarHBondContact O-N 2.88Å; G288-A291 VanDerWaalsContact O-N 3.14Å |
| 289 | D | 60.3 | Low | 79.7 | Confident | 132 Ų | 132 | 53.9 Ų | 53.9 | 71% | 0.706 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | 122.1 | -164.1 | -58.1 | -48.7 | 0 | 0 | 0 | 113.3 | A291 | D289-A291 VanDerWaalsContact C-N 3.27Å; D289-A291 PolarHBondContact O-N 3.34Å |
| 290 | G | 64.6 | Low | 79.7 | Confident | 59 Ų | 59 | 55 Ų | 55 | 61% | 0.608 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77 | 2.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | G288 G292 | G288-G290 PolarHBondContact O-N 3.44Å; G290-G292 PolarHBondContact O-N 3.48Å |
| 291 | A | 68.9 | Low | 79.9 | Confident | 37 Ų | 37 | 56.4 Ų | 56.4 | 31% | 0.306 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -70.2 | -20.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | V286 V287 G288 D289 V302 | V286-A291 HydrophobicContact CG1-CB 4.46Å; V287-A291 WeakPolarHBondContact O-CB 3.43Å; G288-A291 VanDerWaalsContact O-CB 3.28Å; G288-A291 WeakPolarHBondContact O-CB 3.25Å; G288-A291 PolarHBondContact O-N 2.88Å; G288-A291 VanDerWaalsContact O-N 3.14Å; D289-A291 VanDerWaalsContact C-N 3.27Å; D289-A291 PolarHBondContact O-N 3.34Å; A291-V302 PolarHBondContact O-N 3.12Å |
| 292 | G | 76.9 | Confident | 79.9 | Confident | 22 Ų | 22 | 55.6 Ų | 55.6 | 23% | 0.227 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 157.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | G290 F300 | G290-G292 PolarHBondContact O-N 3.48Å; G292-F300 CarbonylContact C-O 3.53Å; G292-F300 WeakPolarHBondContact CA-O 3.36Å |
| 293 | V | 83 | Confident | 79.8 | Confident | 29 Ų | 29 | 55.1 Ų | 55.1 | 18% | 0.176 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 137.8 | 158.9 | -64.8 | 0 | 0 | 0 | 0 | 109.1 | V299 F300 V302 F305 | V293-V299 WeakPolarHBondContact O-CA 3.46Å; V293-F300 HydrophobicContact CG2-CB 4.17Å; V293-F300 PolarHBondContact N-O 3.49Å; V293-F300 PolarHBondContact O-N 3.25Å; V293-V302 HydrophobicContact CG1-CG2 4.44Å; V293-F305 HydrophobicContact CG2-CB 3.63Å; V293-F305 HydrophobicContact CG2-CD1 4.02Å; V293-F305 HydrophobicContact CG2-CD2 4.33Å; V293-F305 HydrophobicContact CG2-CG 3.74Å |
| 294 | V | 83.9 | Confident | 79.9 | Confident | 55 Ų | 55 | 55.2 Ų | 55.2 | 33% | 0.333 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 123.2 | 176.1 | -168.6 | 0 | 0 | 0 | 0 | 108.9 | A160 V299 | A160-V294 HydrophobicContact CB-CG2 4.23Å; V294-V299 HydrophobicContact CG2-CG2 4.12Å |
| 295 | A | 79.7 | Confident | 80 | Confident | 11 Ų | 11 | 49.3 Ų | 49.3 | 9% | 0.091 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 150.1 | 179 | 0 | 0 | 0 | 0 | 0 | 110.4 | D297 R298 F300 F305 F319 | A295-D297 PolarHBondContact O-N 2.79Å; A295-R298 PolarHBondContact N-O 3.42Å; A295-R298 CarbonylContact O-C 3.57Å; A295-R298 PolarHBondContact O-N 3.39Å; A295-F300 WeakPolarHBondContact O-CE2 3.34Å; A295-F305 HydrophobicContact CB-CD2 4.34Å; A295-F305 HydrophobicContact CB-CE2 3.56Å; A295-F305 HydrophobicContact CB-CZ 3.8Å; A295-F319 HydrophobicContact CB-CE2 4.41Å; A295-F319 HydrophobicContact CB-CZ 4.05Å |
| 296 | L | 82.1 | Confident | 80.4 | Confident | 32 Ų | 32 | 47.4 Ų | 47.4 | 17% | 0.168 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.5 | 35.7 | 176 | -45.8 | 177 | 0 | 0 | 0 | 113.6 | R298 F319 A321 A326 | L296-R298 PolarHBondContact O-N 2.98Å; L296-F319 HydrophobicContact CD2-CE2 4.43Å; L296-A321 HydrophobicContact CD2-CB 3.32Å; L296-A326 HydrophobicContact CD1-CB 4.18Å |
| 297 | D | 80.4 | Confident | 80.7 | Confident | 143 Ų | 143 | 47.4 Ų | 47.4 | 77% | 0.765 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.6 | 20.5 | -174.9 | -38.3 | -45.4 | 0 | 0 | 0 | 115 | A295 R324 | A295-D297 PolarHBondContact O-N 2.79Å; D297-R324 IonicContact OD2-NH1 3.78Å; D297-R324 PolarHBondContact OD2-NH1 2.87Å |
| 298 | R | 83.8 | Confident | 81.2 | Confident | 127 Ų | 127 | 46 Ų | 46 | 48% | 0.479 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 160.1 | 179 | -56.2 | -176.8 | 80.1 | -158.2 | 2.7 | 110.9 | G280 A295 L296 F300 | G280-R298 VanDerWaalsContact CA-NH1 3.29Å; G280-R298 PolarHBondContact O-NH1 3.42Å; A295-R298 PolarHBondContact N-O 3.42Å; A295-R298 CarbonylContact O-C 3.57Å; A295-R298 PolarHBondContact O-N 3.39Å; L296-R298 PolarHBondContact O-N 2.98Å; R298-F300 HydrophobicContact CB-CE2 3.87Å; R298-F300 HydrophobicContact CB-CZ 4.35Å |
| 299 | V | 86.3 | Confident | 82.1 | Confident | 22 Ų | 22 | 49.6 Ų | 49.6 | 13% | 0.133 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 143.3 | 172.1 | -169.7 | 0 | 0 | 0 | 0 | 109.3 | F276 C279 G280 V286 V293 V294 | F276-V299 HydrophobicContact CB-CG1 4.17Å; F276-V299 WeakPolarHBondContact O-CG2 3.17Å; C279-V299 CarbonylContact C-O 3.3Å; C279-V299 WeakPolarHBondContact CA-O 3.46Å; G280-V299 PolarHBondContact N-O 2.93Å; V286-V299 HydrophobicContact CB-CG1 4.07Å; V286-V299 HydrophobicContact CG1-CG1 3.99Å; V286-V299 HydrophobicContact CG2-CG1 4.03Å; V293-V299 WeakPolarHBondContact O-CA 3.46Å; V294-V299 HydrophobicContact CG2-CG2 4.12Å |
| 300 | F | 87.2 | Confident | 83.5 | Confident | 22 Ų | 22 | 46.4 Ų | 46.4 | 10% | 0.096 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 140.4 | 175.5 | -65.6 | -98.2 | 0 | 0 | 0 | 110 | G292 V293 A295 R298 F305 | G292-F300 CarbonylContact C-O 3.53Å; G292-F300 WeakPolarHBondContact CA-O 3.36Å; V293-F300 HydrophobicContact CG2-CB 4.17Å; V293-F300 PolarHBondContact N-O 3.49Å; V293-F300 PolarHBondContact O-N 3.25Å; A295-F300 WeakPolarHBondContact O-CE2 3.34Å; R298-F300 HydrophobicContact CB-CE2 3.87Å; R298-F300 HydrophobicContact CB-CZ 4.35Å; F300-F305 HydrophobicContact CB-CB 4.08Å; F300-F305 HydrophobicContact CB-CD2 4.35Å; F300-F305 HydrophobicContact CD2-CD2 4.15Å; F300-F305 HydrophobicContact CG-CD2 4.17Å |
| 301 | H | 87.1 | Confident | 84.7 | Confident | 49 Ų | 49 | 52.6 Ų | 52.6 | 23% | 0.227 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.1 | 145 | 163.3 | -71.3 | 120.4 | 0 | 0 | 0 | 110.3 | C279 C282 G303 C304 F305 | C279-H301 PolarHBondContact SG-N 2.8Å; C279-H301 VanDerWaalsContact SG-N 3.36Å; C282-H301 PolarHBondContact SG-ND1 3.04Å; C282-H301 VanDerWaalsContact SG-ND1 3.44Å; H301-G303 PolarHBondContact O-N 2.94Å; H301-G303 VanDerWaalsContact O-N 3.13Å; H301-C304 HydrophobicContact CB-CB 4.01Å; H301-C304 WeakPolarHBondContact O-CA 3.43Å; H301-C304 PolarHBondContact O-N 3.28Å; H301-F305 PolarHBondContact O-N 2.96Å; H301-F305 VanDerWaalsContact O-N 3.13Å |
| 302 | V | 83.2 | Confident | 85.6 | Confident | 36 Ų | 36 | 53.1 Ų | 53.1 | 22% | 0.218 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | -39.8 | 179.3 | 177.9 | 0 | 0 | 0 | 0 | 112.6 | A291 V293 R315 | A291-V302 PolarHBondContact O-N 3.12Å; V293-V302 HydrophobicContact CG1-CG2 4.44Å; V302-R315 HydrophobicContact CG1-CG 4.41Å |
| 303 | G | 82.9 | Confident | 86.2 | Confident | 47 Ų | 47 | 58.1 Ų | 58.1 | 49% | 0.485 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -17.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | H301 V306 | H301-G303 PolarHBondContact O-N 2.94Å; H301-G303 VanDerWaalsContact O-N 3.13Å; G303-V306 WeakPolarHBondContact O-CG1 3.5Å |
| 304 | C | 85.8 | Confident | 86.3 | Confident | 43 Ų | 43 | 56.9 Ų | 56.9 | 29% | 0.291 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -15.7 | 177.9 | -65.8 | 0 | 0 | 0 | 0 | 113.2 | H301 V306 | H301-C304 HydrophobicContact CB-CB 4.01Å; H301-C304 WeakPolarHBondContact O-CA 3.43Å; H301-C304 PolarHBondContact O-N 3.28Å; C304-V306 VanDerWaalsContact C-N 3.3Å; C304-V306 PolarHBondContact O-N 3.24Å |
| 305 | F | 88.2 | Confident | 86.2 | Confident | 12 Ų | 12 | 61.4 Ų | 61.4 | 5% | 0.053 | 32% | 0.322 | C | S | . | . | trans | -79.9 | 78.3 | 176.8 | -167.8 | -116.8 | 0 | 0 | 0 | 111.4 | V293 A295 F300 H301 L314 F319 A326 | V293-F305 HydrophobicContact CG2-CB 3.63Å; V293-F305 HydrophobicContact CG2-CD1 4.02Å; V293-F305 HydrophobicContact CG2-CD2 4.33Å; V293-F305 HydrophobicContact CG2-CG 3.74Å; A295-F305 HydrophobicContact CB-CD2 4.34Å; A295-F305 HydrophobicContact CB-CE2 3.56Å; A295-F305 HydrophobicContact CB-CZ 3.8Å; F300-F305 HydrophobicContact CB-CB 4.08Å; F300-F305 HydrophobicContact CB-CD2 4.35Å; F300-F305 HydrophobicContact CD2-CD2 4.15Å; F300-F305 HydrophobicContact CG-CD2 4.17Å; H301-F305 PolarHBondContact O-N 2.96Å; H301-F305 VanDerWaalsContact O-N 3.13Å; F305-L314 HydrophobicContact CD1-CB 3.6Å; F305-L314 HydrophobicContact CE1-CB 3.47Å; F305-L314 VanDerWaalsContact CE1-CB 3.47Å; F305-L314 HydrophobicContact CE1-CD1 4.19Å; F305-L314 HydrophobicContact CE1-CG 4.48Å; F305-L314 HydrophobicContact CZ-CB 4.29Å; F305-L314 HydrophobicContact CZ-CD1 4.21Å; F305-L314 PolarHBondContact O-N 3.36Å; F305-F319 AromaticContact CE1-CD1 3.95Å; F305-F319 HydrophobicContact CE1-CD1 3.95Å; F305-F319 HydrophobicContact CE1-CE1 4.04Å; F305-F319 HydrophobicContact CE1-CG 4.25Å; F305-F319 HydrophobicContact CE1-CZ 4.41Å; F305-F319 AromaticContact CZ-CD1 3.89Å; F305-F319 HydrophobicContact CZ-CD1 3.89Å; F305-F319 AromaticContact CZ-CD2 3.81Å; F305-F319 HydrophobicContact CZ-CD2 3.81Å; F305-F319 AromaticContact CZ-CE1 3.82Å; F305-F319 HydrophobicContact CZ-CE1 3.82Å; F305-F319 AromaticContact CZ-CE2 3.73Å; F305-F319 HydrophobicContact CZ-CE2 3.73Å; F305-F319 AromaticContact CZ-CG 3.89Å; F305-F319 HydrophobicContact CZ-CG 3.89Å; F305-F319 AromaticContact CZ-CZ 3.74Å; F305-F319 HydrophobicContact CZ-CZ 3.74Å; F305-A326 HydrophobicContact CE2-CB 3.91Å; F305-A326 HydrophobicContact CZ-CB 4.22Å | ||
| 306 | V | 90.1 | Very high | 86.1 | Confident | 36 Ų | 36 | 63.8 Ų | 63.8 | 22% | 0.218 | 35% | 0.347 | C | S | . | . | B | Isolated β-bridge | trans | -120.8 | 155.5 | -174.3 | -61.2 | 0 | 0 | 0 | 0 | 112.8 | G303 C304 S308 R311 A312 Q313 | G303-V306 WeakPolarHBondContact O-CG1 3.5Å; C304-V306 VanDerWaalsContact C-N 3.3Å; C304-V306 PolarHBondContact O-N 3.24Å; V306-S308 PolarHBondContact O-N 3.26Å; V306-R311 WeakPolarHBondContact CB-O 3.22Å; V306-R311 WeakPolarHBondContact CG1-O 3.39Å; V306-A312 CarbonylContact C-O 3.57Å; V306-A312 VanDerWaalsContact CA-O 3.27Å; V306-A312 WeakPolarHBondContact CA-O 3.44Å; V306-Q313 HydrophobicContact CG1-CG 4.15Å |
| 307 | C | 91.3 | Very high | 86.1 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 37% | 0.366 | C | S | . | . | trans | -62.2 | 131 | 173.1 | 176 | 0 | 0 | 0 | 0 | 111.6 | T309 C310 R311 A312 L314 A326 C328 | C307-T309 PolarHBondContact O-N 3.35Å; C307-T309 VanDerWaalsContact O-N 3.17Å; C307-T309 PolarHBondContact SG-N 3.2Å; C307-T309 VanDerWaalsContact SG-N 3.38Å; C307-C310 VanDerWaalsContact CB-SG 3.56Å; C307-C310 VanDerWaalsContact SG-SG 3.63Å; C307-R311 VanDerWaalsContact O-CA 3.25Å; C307-R311 WeakPolarHBondContact O-CA 3.27Å; C307-R311 PolarHBondContact O-N 3.18Å; C307-A312 PolarHBondContact N-O 2.98Å; C307-L314 HydrophobicContact CB-CD2 4.24Å; C307-A326 WeakPolarHBondContact CA-O 3.21Å; C307-C328 HydrophobicContact CB-CB 4.35Å | ||
| 308 | S | 89.6 | Confident | 86.2 | Confident | 36 Ų | 36 | 65 Ų | 65 | 25% | 0.252 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -26.8 | 176.9 | -95.4 | 0 | 0 | 0 | 0 | 115 | V306 R325 A326 | V306-S308 PolarHBondContact O-N 3.26Å; S308-R325 PolarHBondContact OG-NE 3.28Å; S308-R325 PolarHBondContact OG-NH2 3.46Å; S308-A326 PolarHBondContact N-O 2.85Å |
| 309 | T | 89 | Confident | 86.4 | Confident | 91 Ų | 91 | 59.5 Ų | 59.5 | 56% | 0.558 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.3 | -55.2 | -176.9 | -48.2 | 0 | 0 | 0 | 0 | 112.3 | C307 Y327 | C307-T309 PolarHBondContact O-N 3.35Å; C307-T309 VanDerWaalsContact O-N 3.17Å; C307-T309 PolarHBondContact SG-N 3.2Å; C307-T309 VanDerWaalsContact SG-N 3.38Å; T309-Y327 WeakPolarHBondContact OG1-CE1 3.36Å |
| 310 | C | 90.4 | Very high | 86.5 | Confident | 66 Ų | 66 | 59.9 Ų | 59.9 | 45% | 0.446 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | -0.9 | -172.8 | 67 | 0 | 0 | 0 | 0 | 115 | C307 A312 C328 | C307-C310 VanDerWaalsContact CB-SG 3.56Å; C307-C310 VanDerWaalsContact SG-SG 3.63Å; C310-A312 PolarHBondContact O-N 2.85Å; C310-C328 VanDerWaalsContact SG-SG 3.66Å |
| 311 | R | 89.1 | Confident | 86.6 | Confident | 188 Ų | 188 | 61.7 Ų | 61.7 | 71% | 0.709 | 35% | 0.346 | S | S | * | . | trans | 56.6 | 9.9 | -177.1 | -57.2 | -60.2 | -168.2 | 103 | 2.2 | 116.2 | V306 C307 | V306-R311 WeakPolarHBondContact CB-O 3.22Å; V306-R311 WeakPolarHBondContact CG1-O 3.39Å; C307-R311 VanDerWaalsContact O-CA 3.25Å; C307-R311 WeakPolarHBondContact O-CA 3.27Å; C307-R311 PolarHBondContact O-N 3.18Å | ||
| 312 | A | 88.4 | Confident | 86.5 | Confident | 49 Ų | 49 | 61.9 Ų | 61.9 | 41% | 0.405 | 35% | 0.35 | S | S | . | . | trans | -62.2 | 140.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | V306 C307 C310 | V306-A312 CarbonylContact C-O 3.57Å; V306-A312 VanDerWaalsContact CA-O 3.27Å; V306-A312 WeakPolarHBondContact CA-O 3.44Å; C307-A312 PolarHBondContact N-O 2.98Å; C310-A312 PolarHBondContact O-N 2.85Å | ||
| 313 | Q | 87.9 | Confident | 86.6 | Confident | 127 Ų | 127 | 68 Ų | 68 | 59% | 0.593 | 38% | 0.376 | S | S | * | . | B | Isolated β-bridge | trans | -67 | 137.5 | 175.8 | -66.3 | 176.9 | 4 | 0 | 0 | 110.7 | V306 | V306-Q313 HydrophobicContact CG1-CG 4.15Å |
| 314 | L | 86.9 | Confident | 86.5 | Confident | 3 Ų | 3 | 74.5 Ų | 74.5 | 2% | 0.016 | 39% | 0.386 | C | S | . | . | trans | -101.3 | 2.9 | -175.8 | -63.1 | 173.3 | 0 | 0 | 0 | 113.4 | F305 C307 G316 Q317 F319 A326 C328 | F305-L314 HydrophobicContact CD1-CB 3.6Å; F305-L314 HydrophobicContact CE1-CB 3.47Å; F305-L314 VanDerWaalsContact CE1-CB 3.47Å; F305-L314 HydrophobicContact CE1-CD1 4.19Å; F305-L314 HydrophobicContact CE1-CG 4.48Å; F305-L314 HydrophobicContact CZ-CB 4.29Å; F305-L314 HydrophobicContact CZ-CD1 4.21Å; F305-L314 PolarHBondContact O-N 3.36Å; C307-L314 HydrophobicContact CB-CD2 4.24Å; L314-G316 PolarHBondContact O-N 3.43Å; L314-Q317 PolarHBondContact O-N 3.36Å; L314-F319 HydrophobicContact CB-CB 4.42Å; L314-F319 HydrophobicContact CD1-CB 4Å; L314-F319 HydrophobicContact CD2-CB 4.22Å; L314-F319 HydrophobicContact CG-CB 4.46Å; L314-A326 HydrophobicContact CD1-CB 3.47Å; L314-A326 VanDerWaalsContact CD1-CB 3.47Å; L314-C328 HydrophobicContact CD2-CB 3.6Å | ||
| 315 | R | 81.7 | Confident | 86.5 | Confident | 150 Ų | 150 | 78.2 Ų | 78.2 | 57% | 0.566 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | 120.1 | 179.1 | -172.9 | -164.2 | -178.5 | 85.4 | -4.3 | 110.5 | V302 Q317 | V302-R315 HydrophobicContact CG1-CG 4.41Å; R315-Q317 PolarHBondContact O-N 2.9Å |
| 316 | G | 77.5 | Confident | 86.5 | Confident | 60 Ų | 60 | 78 Ų | 78 | 62% | 0.619 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.7 | 14.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | L314 | L314-G316 PolarHBondContact O-N 3.43Š|
| 317 | Q | 81.1 | Confident | 86.6 | Confident | 119 Ų | 119 | 77.5 Ų | 77.5 | 56% | 0.556 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -117.4 | 152.2 | 173.1 | -65.3 | -63.1 | -48.7 | 0 | 0 | 109.5 | L314 R315 F319 | L314-Q317 PolarHBondContact O-N 3.36Å; R315-Q317 PolarHBondContact O-N 2.9Å; Q317-F319 PolarHBondContact O-N 2.92Å |
| 318 | H | 82 | Confident | 86.6 | Confident | 82 Ų | 82 | 78.7 Ų | 78.7 | 38% | 0.38 | 40% | 0.397 | S | S | . | . | trans | -67.6 | 128.2 | 172.6 | 41.2 | 56.6 | 0 | 0 | 0 | 110.4 | P154 E329 | P154-H318 HydrophobicContact CB-CB 4.15Å; H318-E329 IonicContact CE1-OE2 2.68Å; H318-E329 PolarHBondContact CE1-OE2 3.21Å; H318-E329 VanDerWaalsContact CE1-OE2 3.25Å; H318-E329 IonicContact NE2-OE2 2.95Å | ||
| 319 | F | 89.3 | Confident | 86.5 | Confident | 11 Ų | 11 | 81 Ų | 81 | 5% | 0.048 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 153.8 | 178.3 | 73 | -86.1 | 0 | 0 | 0 | 111.4 | A155 A295 L296 F305 L314 Q317 A326 Y327 | A155-F319 HydrophobicContact CB-CD1 4.41Å; A155-F319 HydrophobicContact CB-CD2 3.99Å; A155-F319 HydrophobicContact CB-CE1 3.92Å; A155-F319 HydrophobicContact CB-CE2 3.45Å; A155-F319 VanDerWaalsContact CB-CE2 3.45Å; A155-F319 HydrophobicContact CB-CG 4.45Å; A155-F319 HydrophobicContact CB-CZ 3.4Å; A155-F319 VanDerWaalsContact CB-CZ 3.4Å; A155-F319 PolarHBondContact N-O 3.36Å; A155-F319 WeakPolarHBondContact O-CE1 3.45Å; A295-F319 HydrophobicContact CB-CE2 4.41Å; A295-F319 HydrophobicContact CB-CZ 4.05Å; L296-F319 HydrophobicContact CD2-CE2 4.43Å; F305-F319 AromaticContact CE1-CD1 3.95Å; F305-F319 HydrophobicContact CE1-CD1 3.95Å; F305-F319 HydrophobicContact CE1-CE1 4.04Å; F305-F319 HydrophobicContact CE1-CG 4.25Å; F305-F319 HydrophobicContact CE1-CZ 4.41Å; F305-F319 AromaticContact CZ-CD1 3.89Å; F305-F319 HydrophobicContact CZ-CD1 3.89Å; F305-F319 AromaticContact CZ-CD2 3.81Å; F305-F319 HydrophobicContact CZ-CD2 3.81Å; F305-F319 AromaticContact CZ-CE1 3.82Å; F305-F319 HydrophobicContact CZ-CE1 3.82Å; F305-F319 AromaticContact CZ-CE2 3.73Å; F305-F319 HydrophobicContact CZ-CE2 3.73Å; F305-F319 AromaticContact CZ-CG 3.89Å; F305-F319 HydrophobicContact CZ-CG 3.89Å; F305-F319 AromaticContact CZ-CZ 3.74Å; F305-F319 HydrophobicContact CZ-CZ 3.74Å; L314-F319 HydrophobicContact CB-CB 4.42Å; L314-F319 HydrophobicContact CD1-CB 4Å; L314-F319 HydrophobicContact CD2-CB 4.22Å; L314-F319 HydrophobicContact CG-CB 4.46Å; Q317-F319 PolarHBondContact O-N 2.92Å; F319-A326 HydrophobicContact CD2-CB 4.4Å; F319-Y327 CarbonylContact C-O 3.52Å; F319-Y327 VanDerWaalsContact CA-O 3.32Å; F319-Y327 WeakPolarHBondContact CA-O 3.44Å |
| 320 | Y | 88 | Confident | 86.4 | Confident | 31 Ų | 31 | 79.2 Ų | 79.2 | 12% | 0.122 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 134.7 | 178.8 | -67.2 | -84.9 | 0 | 0 | 0 | 110.3 | P152 Y327 E329 Y332 | P152-Y320 HydrophobicContact CB-CE1 4.27Å; P152-Y320 HydrophobicContact CG-CE1 4.49Å; Y320-Y327 PolarHBondContact N-O 3.05Å; Y320-Y327 PolarHBondContact O-N 2.99Å; Y320-E329 HydrophobicContact CE2-CB 3.97Å; Y320-E329 HydrophobicContact CE2-CG 4.2Å; Y320-Y332 AromaticContact CD1-CD1 3.63Å; Y320-Y332 HydrophobicContact CD1-CD1 3.63Å; Y320-Y332 AromaticContact CD1-CE1 3.48Å; Y320-Y332 HydrophobicContact CD1-CE1 3.48Å; Y320-Y332 VanDerWaalsContact CD1-CE1 3.48Å; Y320-Y332 HydrophobicContact CD1-CG 4.23Å; Y320-Y332 AromaticContact CD1-CZ 3.98Å; Y320-Y332 AromaticContact CD2-CD1 3.42Å; Y320-Y332 HydrophobicContact CD2-CD1 3.42Å; Y320-Y332 VanDerWaalsContact CD2-CD1 3.42Å; Y320-Y332 HydrophobicContact CD2-CE1 4.17Å; Y320-Y332 AromaticContact CD2-CG 3.73Å; Y320-Y332 HydrophobicContact CD2-CG 3.73Å; Y320-Y332 AromaticContact CE1-CD1 3.99Å; Y320-Y332 HydrophobicContact CE1-CD1 3.99Å; Y320-Y332 AromaticContact CE1-CE1 3.77Å; Y320-Y332 HydrophobicContact CE1-CE1 3.77Å; Y320-Y332 AromaticContact CE2-CD1 3.8Å; Y320-Y332 HydrophobicContact CE2-CD1 3.8Å; Y320-Y332 HydrophobicContact CE2-CE1 4.4Å; Y320-Y332 AromaticContact CG-CD1 3.33Å; Y320-Y332 HydrophobicContact CG-CD1 3.33Å; Y320-Y332 HydrophobicContact CG-CD2 4.13Å; Y320-Y332 AromaticContact CG-CE1 3.7Å; Y320-Y332 HydrophobicContact CG-CE1 3.7Å; Y320-Y332 HydrophobicContact CG-CE2 4.44Å; Y320-Y332 AromaticContact CG-CG 3.56Å; Y320-Y332 HydrophobicContact CG-CG 3.56Å |
| 321 | A | 88.8 | Confident | 86.4 | Confident | 60 Ų | 60 | 77.2 Ų | 77.2 | 50% | 0.496 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 107.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | L296 | L296-A321 HydrophobicContact CD2-CB 3.32Å |
| 322 | V | 86.1 | Confident | 86.4 | Confident | 52 Ų | 52 | 70.4 Ų | 70.4 | 32% | 0.315 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 126.4 | 179 | -175.7 | 0 | 0 | 0 | 0 | 108.4 | R324 R325 Y327 Y332 | V322-R324 VanDerWaalsContact C-N 3.29Å; V322-R324 PolarHBondContact O-N 3.39Å; V322-R325 PolarHBondContact N-O 3.21Å; V322-R325 WeakPolarHBondContact O-CA 3.38Å; V322-R325 WeakPolarHBondContact O-CB 3.21Å; V322-R325 PolarHBondContact O-N 2.66Å; V322-R325 VanDerWaalsContact O-O 3.11Å; V322-Y327 HydrophobicContact CB-CD2 4.06Å; V322-Y327 HydrophobicContact CB-CE2 3.85Å; V322-Y327 HydrophobicContact CG2-CD2 4.34Å; V322-Y332 HydrophobicContact CG2-CD2 3.93Å; V322-Y332 HydrophobicContact CG2-CE2 3.71Å |
| 323 | E | 83.6 | Confident | 86.3 | Confident | 164 Ų | 164 | 69.4 Ų | 69.4 | 77% | 0.766 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 39.9 | 177.4 | -62.5 | 174.7 | 168.6 | 0 | 0 | 114.4 | R325 | E323-R325 PolarHBondContact O-N 3.05Š|
| 324 | R | 82.3 | Confident | 86.2 | Confident | 185 Ų | 185 | 66.7 Ų | 66.7 | 70% | 0.698 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.2 | 21.9 | -172.6 | -57.3 | -173 | 174.4 | -78.6 | 0.6 | 114.5 | D297 V322 | D297-R324 IonicContact OD2-NH1 3.78Å; D297-R324 PolarHBondContact OD2-NH1 2.87Å; V322-R324 VanDerWaalsContact C-N 3.29Å; V322-R324 PolarHBondContact O-N 3.39Å |
| 325 | R | 85.6 | Confident | 86.1 | Confident | 120 Ų | 120 | 71.3 Ų | 71.3 | 45% | 0.453 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 143.9 | 174.8 | -61.4 | 177 | 71.5 | 171.2 | 5.1 | 110.3 | S308 V322 E323 Y327 | S308-R325 PolarHBondContact OG-NE 3.28Å; S308-R325 PolarHBondContact OG-NH2 3.46Å; V322-R325 PolarHBondContact N-O 3.21Å; V322-R325 WeakPolarHBondContact O-CA 3.38Å; V322-R325 WeakPolarHBondContact O-CB 3.21Å; V322-R325 PolarHBondContact O-N 2.66Å; V322-R325 VanDerWaalsContact O-O 3.11Å; E323-R325 PolarHBondContact O-N 3.05Å; R325-Y327 HydrophobicContact CB-CE2 3.68Å |
| 326 | A | 89 | Confident | 86.4 | Confident | 7 Ų | 7 | 65.9 Ų | 65.9 | 6% | 0.058 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 133.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | L296 F305 C307 S308 L314 F319 | L296-A326 HydrophobicContact CD1-CB 4.18Å; F305-A326 HydrophobicContact CE2-CB 3.91Å; F305-A326 HydrophobicContact CZ-CB 4.22Å; C307-A326 WeakPolarHBondContact CA-O 3.21Å; S308-A326 PolarHBondContact N-O 2.85Å; L314-A326 HydrophobicContact CD1-CB 3.47Å; L314-A326 VanDerWaalsContact CD1-CB 3.47Å; F319-A326 HydrophobicContact CD2-CB 4.4Å |
| 327 | Y | 90.6 | Very high | 86.9 | Confident | 27 Ų | 27 | 66.6 Ų | 66.6 | 11% | 0.106 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 139.5 | 176.1 | -61.2 | -89 | 0 | 0 | 0 | 110.2 | T309 F319 Y320 V322 R325 | T309-Y327 WeakPolarHBondContact OG1-CE1 3.36Å; F319-Y327 CarbonylContact C-O 3.52Å; F319-Y327 VanDerWaalsContact CA-O 3.32Å; F319-Y327 WeakPolarHBondContact CA-O 3.44Å; Y320-Y327 PolarHBondContact N-O 3.05Å; Y320-Y327 PolarHBondContact O-N 2.99Å; V322-Y327 HydrophobicContact CB-CD2 4.06Å; V322-Y327 HydrophobicContact CB-CE2 3.85Å; V322-Y327 HydrophobicContact CG2-CD2 4.34Å; R325-Y327 HydrophobicContact CB-CE2 3.68Å |
| 328 | C | 91.1 | Very high | 87.3 | Confident | 25 Ų | 25 | 67.1 Ų | 67.1 | 17% | 0.169 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 157.9 | 165 | 64.2 | 0 | 0 | 0 | 0 | 109.5 | C307 C310 L314 G330 C331 Y332 | C307-C328 HydrophobicContact CB-CB 4.35Å; C310-C328 VanDerWaalsContact SG-SG 3.66Å; L314-C328 HydrophobicContact CD2-CB 3.6Å; C328-G330 PolarHBondContact O-N 3.1Å; C328-C331 PolarHBondContact O-N 3.3Å; C328-C331 VanDerWaalsContact O-N 3.16Å; C328-C331 VanDerWaalsContact SG-SG 3.66Å; C328-Y332 WeakPolarHBondContact O-CB 3.23Å; C328-Y332 PolarHBondContact O-N 2.84Å |
| 329 | E | 87.9 | Confident | 87.8 | Confident | 84 Ų | 84 | 63.3 Ų | 63.3 | 39% | 0.393 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -47.7 | -56.1 | 176.4 | 179.9 | -168.3 | -135.2 | 0 | 0 | 112.2 | H318 Y320 C331 Y332 V333 | H318-E329 IonicContact CE1-OE2 2.68Å; H318-E329 PolarHBondContact CE1-OE2 3.21Å; H318-E329 VanDerWaalsContact CE1-OE2 3.25Å; H318-E329 IonicContact NE2-OE2 2.95Å; Y320-E329 HydrophobicContact CE2-CB 3.97Å; Y320-E329 HydrophobicContact CE2-CG 4.2Å; E329-C331 PolarHBondContact O-N 2.94Å; E329-C331 VanDerWaalsContact O-N 3.12Å; E329-Y332 PolarHBondContact O-N 3.21Å; E329-V333 HydrophobicContact CG-CG2 3.8Å; E329-V333 VanDerWaalsContact O-CB 3.29Å; E329-V333 WeakPolarHBondContact O-CB 3.22Å; E329-V333 VanDerWaalsContact O-CG2 3.27Å; E329-V333 WeakPolarHBondContact O-CG2 3.35Å; E329-V333 PolarHBondContact O-N 2.83Å |
| 330 | G | 88.2 | Confident | 87.8 | Confident | 54 Ų | 54 | 65.5 Ų | 65.5 | 56% | 0.557 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -55.6 | -34.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | C328 A334 | C328-G330 PolarHBondContact O-N 3.1Å; G330-A334 VanDerWaalsContact O-CB 3.28Å; G330-A334 WeakPolarHBondContact O-CB 3.44Å; G330-A334 PolarHBondContact O-N 3.22Å |
| 331 | C | 88.6 | Confident | 87.8 | Confident | 24 Ų | 24 | 68.2 Ų | 68.2 | 16% | 0.162 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -81.4 | -37.5 | 174.7 | -71.2 | 0 | 0 | 0 | 0 | 113.1 | C328 E329 A334 T335 | C328-C331 PolarHBondContact O-N 3.3Å; C328-C331 VanDerWaalsContact O-N 3.16Å; C328-C331 VanDerWaalsContact SG-SG 3.66Å; E329-C331 PolarHBondContact O-N 2.94Å; E329-C331 VanDerWaalsContact O-N 3.12Å; C331-A334 PolarHBondContact O-N 3.43Å; C331-T335 PolarHBondContact O-N 2.84Å |
| 332 | Y | 89.3 | Confident | 87.9 | Confident | 45 Ų | 45 | 67.2 Ų | 67.2 | 18% | 0.176 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.5 | -51.6 | 174.8 | 173.8 | -112.3 | 0 | 0 | 0 | 110.9 | Y320 V322 C328 E329 A334 T335 L336 | Y320-Y332 AromaticContact CD1-CD1 3.63Å; Y320-Y332 HydrophobicContact CD1-CD1 3.63Å; Y320-Y332 AromaticContact CD1-CE1 3.48Å; Y320-Y332 HydrophobicContact CD1-CE1 3.48Å; Y320-Y332 VanDerWaalsContact CD1-CE1 3.48Å; Y320-Y332 HydrophobicContact CD1-CG 4.23Å; Y320-Y332 AromaticContact CD1-CZ 3.98Å; Y320-Y332 AromaticContact CD2-CD1 3.42Å; Y320-Y332 HydrophobicContact CD2-CD1 3.42Å; Y320-Y332 VanDerWaalsContact CD2-CD1 3.42Å; Y320-Y332 HydrophobicContact CD2-CE1 4.17Å; Y320-Y332 AromaticContact CD2-CG 3.73Å; Y320-Y332 HydrophobicContact CD2-CG 3.73Å; Y320-Y332 AromaticContact CE1-CD1 3.99Å; Y320-Y332 HydrophobicContact CE1-CD1 3.99Å; Y320-Y332 AromaticContact CE1-CE1 3.77Å; Y320-Y332 HydrophobicContact CE1-CE1 3.77Å; Y320-Y332 AromaticContact CE2-CD1 3.8Å; Y320-Y332 HydrophobicContact CE2-CD1 3.8Å; Y320-Y332 HydrophobicContact CE2-CE1 4.4Å; Y320-Y332 AromaticContact CG-CD1 3.33Å; Y320-Y332 HydrophobicContact CG-CD1 3.33Å; Y320-Y332 HydrophobicContact CG-CD2 4.13Å; Y320-Y332 AromaticContact CG-CE1 3.7Å; Y320-Y332 HydrophobicContact CG-CE1 3.7Å; Y320-Y332 HydrophobicContact CG-CE2 4.44Å; Y320-Y332 AromaticContact CG-CG 3.56Å; Y320-Y332 HydrophobicContact CG-CG 3.56Å; V322-Y332 HydrophobicContact CG2-CD2 3.93Å; V322-Y332 HydrophobicContact CG2-CE2 3.71Å; C328-Y332 WeakPolarHBondContact O-CB 3.23Å; C328-Y332 PolarHBondContact O-N 2.84Å; E329-Y332 PolarHBondContact O-N 3.21Å; Y332-A334 PolarHBondContact O-N 3.44Å; Y332-T335 WeakPolarHBondContact O-CA 3.34Å; Y332-T335 PolarHBondContact O-N 3.29Å; Y332-T335 PolarHBondContact O-OG1 3.2Å; Y332-L336 HydrophobicContact CD1-CD1 4.4Å; Y332-L336 HydrophobicContact CE1-CD1 4.06Å; Y332-L336 HydrophobicContact CE1-CD2 4.32Å; Y332-L336 HydrophobicContact CE2-CD2 4.26Å; Y332-L336 PolarHBondContact O-N 2.73Å |
| 333 | V | 87.6 | Confident | 88.1 | Confident | 28 Ų | 28 | 69.1 Ų | 69.1 | 17% | 0.17 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.6 | -30.2 | 178.2 | 175.2 | 0 | 0 | 0 | 0 | 112.1 | E329 T335 L336 P345 L347 | E329-V333 HydrophobicContact CG-CG2 3.8Å; E329-V333 VanDerWaalsContact O-CB 3.29Å; E329-V333 WeakPolarHBondContact O-CB 3.22Å; E329-V333 VanDerWaalsContact O-CG2 3.27Å; E329-V333 WeakPolarHBondContact O-CG2 3.35Å; E329-V333 PolarHBondContact O-N 2.83Å; V333-T335 VanDerWaalsContact C-N 3.31Å; V333-T335 PolarHBondContact O-N 2.87Å; V333-L336 HydrophobicContact CG2-CD1 4.45Å; V333-L336 PolarHBondContact O-N 2.91Å; V333-P345 HydrophobicContact CG1-CB 3.81Å; V333-P345 HydrophobicContact CG1-CG 3.32Å; V333-P345 WeakPolarHBondContact O-CB 3.42Å; V333-L347 HydrophobicContact CB-CD2 4.46Å; V333-L347 HydrophobicContact CG1-CD2 4.12Å; V333-L347 HydrophobicContact CG2-CD2 3.62Å |
| 334 | A | 85.8 | Confident | 88.3 | Confident | 70 Ų | 70 | 67 Ų | 67 | 58% | 0.579 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -70.6 | -20.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | G330 C331 Y332 | G330-A334 VanDerWaalsContact O-CB 3.28Å; G330-A334 WeakPolarHBondContact O-CB 3.44Å; G330-A334 PolarHBondContact O-N 3.22Å; C331-A334 PolarHBondContact O-N 3.43Å; Y332-A334 PolarHBondContact O-N 3.44Å |
| 335 | T | 84.8 | Confident | 88.6 | Confident | 100 Ų | 100 | 60 Ų | 60 | 61% | 0.613 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -88.5 | -9.3 | 173.8 | 60.7 | 0 | 0 | 0 | 0 | 114.2 | C331 Y332 V333 | C331-T335 PolarHBondContact O-N 2.84Å; Y332-T335 WeakPolarHBondContact O-CA 3.34Å; Y332-T335 PolarHBondContact O-N 3.29Å; Y332-T335 PolarHBondContact O-OG1 3.2Å; V333-T335 VanDerWaalsContact C-N 3.31Å; V333-T335 PolarHBondContact O-N 2.87Å |
| 336 | L | 86.7 | Confident | 88.8 | Confident | 36 Ų | 36 | 54.5 Ų | 54.5 | 19% | 0.188 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -76.9 | 153.1 | 179.7 | -62.3 | 176.6 | 0 | 0 | 0 | 112.5 | Y332 V333 P345 L347 | Y332-L336 HydrophobicContact CD1-CD1 4.4Å; Y332-L336 HydrophobicContact CE1-CD1 4.06Å; Y332-L336 HydrophobicContact CE1-CD2 4.32Å; Y332-L336 HydrophobicContact CE2-CD2 4.26Å; Y332-L336 PolarHBondContact O-N 2.73Å; V333-L336 HydrophobicContact CG2-CD1 4.45Å; V333-L336 PolarHBondContact O-N 2.91Å; L336-P345 HydrophobicContact CB-CB 4.27Å; L336-L347 HydrophobicContact CD1-CD2 3.73Å |
| 337 | E | 88 | Confident | 88.5 | Confident | 74 Ų | 74 | 58.5 Ų | 58.5 | 35% | 0.346 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -64 | 138.7 | 173.3 | -68.9 | -175 | -179.2 | 0 | 0 | 111.1 | I346 R352 A357 | E337-I346 PolarHBondContact O-N 3.25Å; E337-R352 IonicContact OE1-CZ 2.77Å; E337-R352 IonicContact OE1-NH1 3.2Å; E337-R352 PolarHBondContact OE1-NH1 3.02Å; E337-R352 IonicContact OE1-NH2 3.35Å; E337-R352 PolarHBondContact OE1-NH2 3.08Å; E337-R352 IonicContact OE2-CZ 3.67Å; E337-R352 VanDerWaalsContact OE2-CZ 3.22Å; E337-R352 IonicContact OE2-NH1 3.43Å; E337-R352 PolarHBondContact OE2-NH1 2.85Å; E337-R352 IonicContact OE2-NH2 3.25Å; E337-R352 PolarHBondContact OE2-NH2 2.94Å; E337-A357 HydrophobicContact CB-CB 4.07Å; E337-A357 WeakPolarHBondContact OE2-CB 3.36Å |
| 338 | K | 90.9 | Very high | 87.9 | Confident | 131 Ų | 131 | 61.2 Ų | 61.2 | 57% | 0.57 | 36% | 0.362 | S | S | * | . | B | Isolated β-bridge | trans | -96.7 | 135.9 | -179.4 | -62.7 | -179.9 | -175.3 | -179.9 | 0 | 110.5 | A340 Q344 | K338-A340 PolarHBondContact O-N 2.89Å; K338-Q344 WeakPolarHBondContact CA-O 3.5Å |
| 339 | C | 91.9 | Very high | 87.6 | Confident | 1 Ų | 1 | 65.6 Ų | 65.6 | 1% | 0.007 | 38% | 0.375 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 126.5 | 176.5 | 172.8 | 0 | 0 | 0 | 0 | 110.7 | T341 S343 Q344 I346 A357 H359 | C339-T341 PolarHBondContact O-N 2.77Å; C339-T341 PolarHBondContact SG-N 3.12Å; C339-S343 VanDerWaalsContact O-CA 3.23Å; C339-S343 WeakPolarHBondContact O-CA 3.1Å; C339-S343 PolarHBondContact O-N 3.14Å; C339-Q344 PolarHBondContact N-O 2.97Å; C339-I346 HydrophobicContact CB-CD1 4.09Å; C339-I346 HydrophobicContact CB-CG1 3.91Å; C339-A357 CarbonylContact C-O 3.59Å; C339-A357 WeakPolarHBondContact CA-O 3.32Å; C339-H359 VanDerWaalsContact CB-ND1 3.32Å; C339-H359 WeakPolarHBondContact CB-ND1 3.49Å |
| 340 | A | 89.6 | Confident | 87.5 | Confident | 57 Ų | 57 | 64.5 Ų | 64.5 | 47% | 0.471 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -15.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | K338 K356 A357 Y358 | K338-A340 PolarHBondContact O-N 2.89Å; A340-K356 HydrophobicContact CB-CB 4.11Å; A340-K356 HydrophobicContact CB-CD 4.04Å; A340-K356 HydrophobicContact CB-CG 4.42Å; A340-A357 PolarHBondContact N-O 3.35Å; A340-Y358 HydrophobicContact CB-CD1 4.34Å; A340-Y358 HydrophobicContact CB-CE1 3.76Å |
| 341 | T | 88.4 | Confident | 87.6 | Confident | 88 Ų | 88 | 63.4 Ų | 63.4 | 54% | 0.54 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -49.4 | 176.5 | -44 | 0 | 0 | 0 | 0 | 112.6 | C339 Y358 C362 | C339-T341 PolarHBondContact O-N 2.77Å; C339-T341 PolarHBondContact SG-N 3.12Å; T341-Y358 WeakPolarHBondContact OG1-CD1 3.38Å; T341-C362 HydrophobicContact CG2-CB 4.44Å; T341-C362 PolarHBondContact OG1-O 3.47Å |
| 342 | C | 90.2 | Very high | 87.6 | Confident | 39 Ų | 39 | 70.2 Ų | 70.2 | 26% | 0.264 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.2 | -0.2 | -173.9 | 65.6 | 0 | 0 | 0 | 0 | 115 | Q344 H359 | C342-Q344 PolarHBondContact O-N 3.49Å; C342-H359 VanDerWaalsContact SG-CE1 3.52Å; C342-H359 PolarHBondContact SG-ND1 3.38Å; C342-H359 VanDerWaalsContact SG-ND1 3.36Å |
| 343 | S | 89.4 | Confident | 87.4 | Confident | 92 Ų | 92 | 68.5 Ų | 68.5 | 64% | 0.643 | 37% | 0.37 | S | S | * | . | trans | 61.4 | -4.7 | -176.1 | 76.3 | 0 | 0 | 0 | 0 | 117.1 | C339 | C339-S343 VanDerWaalsContact O-CA 3.23Å; C339-S343 WeakPolarHBondContact O-CA 3.1Å; C339-S343 PolarHBondContact O-N 3.14Å | ||
| 344 | Q | 88.4 | Confident | 87.2 | Confident | 120 Ų | 120 | 71.3 Ų | 71.3 | 56% | 0.561 | 38% | 0.382 | S | S | * | . | trans | -75.2 | 146.1 | 179.2 | -68.5 | 170.2 | -28.8 | 0 | 0 | 111.7 | K338 C339 C342 | K338-Q344 WeakPolarHBondContact CA-O 3.5Å; C339-Q344 PolarHBondContact N-O 2.97Å; C342-Q344 PolarHBondContact O-N 3.49Å | ||
| 345 | P | 89.5 | Confident | 87 | Confident | 38 Ų | 38 | 72 Ų | 72 | 25% | 0.247 | 40% | 0.396 | C | S | . | . | B | Isolated β-bridge | trans | -66.5 | 138 | 175.4 | 28.7 | -33.5 | 0 | 0 | 0 | 110.9 | V333 L336 L347 | V333-P345 HydrophobicContact CG1-CB 3.81Å; V333-P345 HydrophobicContact CG1-CG 3.32Å; V333-P345 WeakPolarHBondContact O-CB 3.42Å; L336-P345 HydrophobicContact CB-CB 4.27Å; P345-L347 PolarHBondContact O-N 2.93Å |
| 346 | I | 88.1 | Confident | 87.2 | Confident | 4 Ų | 4 | 72.2 Ų | 72.2 | 2% | 0.021 | 39% | 0.388 | C | S | . | . | trans | -87.7 | 108.5 | -176 | -55.6 | 166.5 | 0 | 0 | 0 | 109.3 | E337 C339 D348 I350 A357 | E337-I346 PolarHBondContact O-N 3.25Å; C339-I346 HydrophobicContact CB-CD1 4.09Å; C339-I346 HydrophobicContact CB-CG1 3.91Å; I346-D348 WeakPolarHBondContact CG2-O 3.46Å; I346-I350 HydrophobicContact CB-CG1 4.04Å; I346-I350 HydrophobicContact CD1-CG1 4.27Å; I346-I350 HydrophobicContact CD1-CG2 4.09Å; I346-I350 HydrophobicContact CG2-CB 4.43Å; I346-I350 HydrophobicContact CG2-CG1 3.64Å; I346-A357 HydrophobicContact CD1-CB 3.7Å | ||
| 347 | L | 83.5 | Confident | 87.4 | Confident | 91 Ų | 91 | 70.9 Ų | 70.9 | 48% | 0.476 | 38% | 0.383 | S | S | . | . | trans | -84.9 | -17 | 177.9 | -57.5 | 176.6 | 0 | 0 | 0 | 113.8 | P152 V333 L336 P345 | P152-L347 WeakPolarHBondContact CD-O 3.44Å; P152-L347 WeakPolarHBondContact CG-O 3.37Å; V333-L347 HydrophobicContact CB-CD2 4.46Å; V333-L347 HydrophobicContact CG1-CD2 4.12Å; V333-L347 HydrophobicContact CG2-CD2 3.62Å; L336-L347 HydrophobicContact CD1-CD2 3.73Å; P345-L347 PolarHBondContact O-N 2.93Å | ||
| 348 | D | 77.9 | Confident | 87.6 | Confident | 84 Ų | 84 | 68 Ų | 68 | 45% | 0.449 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -115.7 | -167.4 | -170.7 | -179.2 | 31.2 | 0 | 0 | 0 | 110.5 | I346 I350 | I346-D348 WeakPolarHBondContact CG2-O 3.46Å; D348-I350 PolarHBondContact O-N 3.24Å |
| 349 | R | 84.2 | Confident | 87.6 | Confident | 117 Ų | 117 | 63.4 Ų | 63.4 | 44% | 0.442 | 35% | 0.349 | S | S | . | . | trans | -48.8 | 109.8 | 172.9 | -179.4 | 174.7 | 58.9 | 121.9 | -0.1 | 112.6 | P360 D373 | R349-P360 WeakPolarHBondContact O-CD 3.15Å; R349-D373 IonicContact CZ-OD1 2.76Å; R349-D373 IonicContact CZ-OD2 2.65Å; R349-D373 VanDerWaalsContact CZ-OD2 3.26Å; R349-D373 IonicContact NH1-OD1 3.69Å; R349-D373 PolarHBondContact NH1-OD1 3.04Å; R349-D373 IonicContact NH1-OD2 2.89Å; R349-D373 PolarHBondContact NH1-OD2 3.44Å; R349-D373 IonicContact NH2-OD1 2.77Å; R349-D373 IonicContact NH2-OD2 3.76Å; R349-D373 PolarHBondContact NH2-OD2 3.39Å | ||
| 350 | I | 87.3 | Confident | 87.5 | Confident | 62 Ų | 62 | 64.6 Ų | 64.6 | 32% | 0.318 | 36% | 0.357 | S | S | . | . | trans | -73.4 | 124.6 | 173.5 | -57.4 | 168.4 | 0 | 0 | 0 | 110 | I346 D348 R352 A357 | I346-I350 HydrophobicContact CB-CG1 4.04Å; I346-I350 HydrophobicContact CD1-CG1 4.27Å; I346-I350 HydrophobicContact CD1-CG2 4.09Å; I346-I350 HydrophobicContact CG2-CB 4.43Å; I346-I350 HydrophobicContact CG2-CG1 3.64Å; D348-I350 PolarHBondContact O-N 3.24Å; I350-R352 HydrophobicContact CG2-CG 3.99Å; I350-A357 HydrophobicContact CG2-CB 3.89Å | ||
| 351 | L | 88.7 | Confident | 87.4 | Confident | 30 Ų | 30 | 65 Ų | 65 | 16% | 0.157 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 130 | 160.6 | -63.2 | -171.7 | 0 | 0 | 0 | 109.7 | A357 Y358 P360 F363 D373 | L351-A357 CarbonylContact O-C 3.55Å; L351-A357 WeakPolarHBondContact O-CA 3.5Å; L351-Y358 PolarHBondContact N-O 3.12Å; L351-Y358 PolarHBondContact O-N 3Å; L351-P360 HydrophobicContact CD1-CB 4.3Å; L351-P360 HydrophobicContact CG-CG 4.29Å; L351-F363 HydrophobicContact CD1-CB 3.94Å; L351-F363 HydrophobicContact CD1-CD1 4.05Å; L351-F363 HydrophobicContact CD1-CG 4.19Å; L351-D373 HydrophobicContact CD1-CB 4.09Å |
| 352 | R | 89.5 | Confident | 87.4 | Confident | 167 Ų | 167 | 62.3 Ų | 62.3 | 63% | 0.63 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109 | 119.5 | 176 | -65.3 | -175.7 | -177.6 | -90 | 2.2 | 110.1 | E337 I350 K356 | E337-R352 IonicContact OE1-CZ 2.77Å; E337-R352 IonicContact OE1-NH1 3.2Å; E337-R352 PolarHBondContact OE1-NH1 3.02Å; E337-R352 IonicContact OE1-NH2 3.35Å; E337-R352 PolarHBondContact OE1-NH2 3.08Å; E337-R352 IonicContact OE2-CZ 3.67Å; E337-R352 VanDerWaalsContact OE2-CZ 3.22Å; E337-R352 IonicContact OE2-NH1 3.43Å; E337-R352 PolarHBondContact OE2-NH1 2.85Å; E337-R352 IonicContact OE2-NH2 3.25Å; E337-R352 PolarHBondContact OE2-NH2 2.94Å; I350-R352 HydrophobicContact CG2-CG 3.99Å; R352-K356 WeakPolarHBondContact CA-O 3.49Å |
| 353 | A | 83.9 | Confident | 87.5 | Confident | 9 Ų | 9 | 60.8 Ų | 60.8 | 7% | 0.074 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 139.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | G355 K356 Y358 F363 F377 | A353-G355 PolarHBondContact O-N 3.03Å; A353-G355 VanDerWaalsContact O-N 3.12Å; A353-K356 PolarHBondContact N-O 3.06Å; A353-K356 PolarHBondContact O-N 3.39Å; A353-K356 VanDerWaalsContact O-O 3.1Å; A353-Y358 HydrophobicContact CB-CD2 4.28Å; A353-Y358 HydrophobicContact CB-CE2 4.05Å; A353-F363 HydrophobicContact CB-CD2 4.41Å; A353-F363 HydrophobicContact CB-CE2 3.53Å; A353-F363 HydrophobicContact CB-CZ 3.87Å; A353-F377 HydrophobicContact CB-CE2 4.44Å; A353-F377 HydrophobicContact CB-CZ 3.95Å |
| 354 | M | 83.6 | Confident | 87.7 | Confident | 87 Ų | 87 | 58.3 Ų | 58.3 | 43% | 0.429 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53 | 29.3 | -177 | -49.6 | 174 | 64.7 | 0 | 0 | 114.7 | K356 V379 | M354-K356 PolarHBondContact O-N 2.97Å; M354-V379 HydrophobicContact CE-CG1 3.6Å; M354-V379 HydrophobicContact CG-CG2 4.19Å; M354-V379 HydrophobicContact SD-CB 4.36Å; M354-V379 HydrophobicContact SD-CG1 3.61Å; M354-V379 HydrophobicContact SD-CG2 3.79Å |
| 355 | G | 82.9 | Confident | 87.9 | Confident | 84 Ų | 84 | 52.6 Ų | 52.6 | 87% | 0.866 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.4 | 7.3 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | A353 | A353-G355 PolarHBondContact O-N 3.03Å; A353-G355 VanDerWaalsContact O-N 3.12Å |
| 356 | K | 88.9 | Confident | 88 | Confident | 105 Ų | 105 | 53.8 Ų | 53.8 | 46% | 0.457 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 154.6 | 176.7 | -66.9 | 175.7 | 179.7 | 177.2 | 0 | 111.1 | A340 R352 A353 M354 Y358 | A340-K356 HydrophobicContact CB-CB 4.11Å; A340-K356 HydrophobicContact CB-CD 4.04Å; A340-K356 HydrophobicContact CB-CG 4.42Å; R352-K356 WeakPolarHBondContact CA-O 3.49Å; A353-K356 PolarHBondContact N-O 3.06Å; A353-K356 PolarHBondContact O-N 3.39Å; A353-K356 VanDerWaalsContact O-O 3.1Å; M354-K356 PolarHBondContact O-N 2.97Å; K356-Y358 HydrophobicContact CB-CE2 3.67Å; K356-Y358 WeakPolarHBondContact CD-OH 3.16Å |
| 357 | A | 91.1 | Very high | 88 | Confident | 9 Ų | 9 | 56.5 Ų | 56.5 | 7% | 0.074 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 142.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | E337 C339 A340 I346 I350 L351 | E337-A357 HydrophobicContact CB-CB 4.07Å; E337-A357 WeakPolarHBondContact OE2-CB 3.36Å; C339-A357 CarbonylContact C-O 3.59Å; C339-A357 WeakPolarHBondContact CA-O 3.32Å; A340-A357 PolarHBondContact N-O 3.35Å; I346-A357 HydrophobicContact CD1-CB 3.7Å; I350-A357 HydrophobicContact CG2-CB 3.89Å; L351-A357 CarbonylContact O-C 3.55Å; L351-A357 WeakPolarHBondContact O-CA 3.5Å |
| 358 | Y | 91.3 | Very high | 88.4 | Confident | 12 Ų | 12 | 55.1 Ų | 55.1 | 5% | 0.047 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 147.6 | -179 | -57 | -87.6 | 0 | 0 | 0 | 112 | A340 T341 L351 A353 K356 F363 I385 | A340-Y358 HydrophobicContact CB-CD1 4.34Å; A340-Y358 HydrophobicContact CB-CE1 3.76Å; T341-Y358 WeakPolarHBondContact OG1-CD1 3.38Å; L351-Y358 PolarHBondContact N-O 3.12Å; L351-Y358 PolarHBondContact O-N 3Å; A353-Y358 HydrophobicContact CB-CD2 4.28Å; A353-Y358 HydrophobicContact CB-CE2 4.05Å; K356-Y358 HydrophobicContact CB-CE2 3.67Å; K356-Y358 WeakPolarHBondContact CD-OH 3.16Å; Y358-F363 HydrophobicContact CD1-CD2 4.42Å; Y358-F363 AromaticContact CD2-CD2 3.85Å; Y358-F363 HydrophobicContact CD2-CD2 3.85Å; Y358-F363 HydrophobicContact CD2-CE2 4.33Å; Y358-F363 HydrophobicContact CE2-CD2 4.29Å; Y358-F363 HydrophobicContact CE2-CE2 4.42Å; Y358-F363 AromaticContact CG-CD2 3.92Å; Y358-F363 HydrophobicContact CG-CD2 3.92Å; Y358-I385 HydrophobicContact CE1-CD1 4.34Å |
| 359 | H | 91.3 | Very high | 88.9 | Confident | 35 Ų | 35 | 57.4 Ų | 57.4 | 16% | 0.162 | 32% | 0.323 | C | S | . | . | trans | -69.3 | 149.3 | 161.6 | -60.7 | 110.6 | 0 | 0 | 0 | 110.2 | C339 C342 G361 C362 F363 | C339-H359 VanDerWaalsContact CB-ND1 3.32Å; C339-H359 WeakPolarHBondContact CB-ND1 3.49Å; C342-H359 VanDerWaalsContact SG-CE1 3.52Å; C342-H359 PolarHBondContact SG-ND1 3.38Å; C342-H359 VanDerWaalsContact SG-ND1 3.36Å; H359-G361 VanDerWaalsContact C-N 3.27Å; H359-G361 PolarHBondContact O-N 2.96Å; H359-C362 HydrophobicContact CB-CB 3.94Å; H359-C362 PolarHBondContact O-N 3.39Å; H359-F363 PolarHBondContact O-N 2.88Å; H359-F363 VanDerWaalsContact O-N 3.08Å | ||
| 360 | P | 88.7 | Confident | 89.2 | Confident | 26 Ų | 26 | 59.5 Ų | 59.5 | 17% | 0.169 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -54.5 | -40 | 174.8 | -26.5 | 35.1 | 0 | 0 | 0 | 113.6 | R349 L351 | R349-P360 WeakPolarHBondContact O-CD 3.15Å; L351-P360 HydrophobicContact CD1-CB 4.3Å; L351-P360 HydrophobicContact CG-CG 4.29Å |
| 361 | G | 87.9 | Confident | 89.4 | Confident | 66 Ų | 66 | 58.1 Ų | 58.1 | 68% | 0.68 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -77.1 | -13.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | H359 T364 | H359-G361 VanDerWaalsContact C-N 3.27Å; H359-G361 PolarHBondContact O-N 2.96Å; G361-T364 WeakPolarHBondContact O-CG2 3.49Å |
| 362 | C | 89.9 | Confident | 89.4 | Confident | 32 Ų | 32 | 56.9 Ų | 56.9 | 22% | 0.216 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -98.4 | -9.8 | 176.7 | -65.8 | 0 | 0 | 0 | 0 | 113.3 | T341 H359 T364 | T341-C362 HydrophobicContact CG2-CB 4.44Å; T341-C362 PolarHBondContact OG1-O 3.47Å; H359-C362 HydrophobicContact CB-CB 3.94Å; H359-C362 PolarHBondContact O-N 3.39Å; C362-T364 PolarHBondContact O-N 3.13Å |
| 363 | F | 92.1 | Very high | 89.4 | Confident | 7 Ų | 7 | 52 Ų | 52 | 3% | 0.031 | 31% | 0.312 | C | S | . | . | trans | -91 | 76.4 | 177.2 | -169.9 | -108.8 | 0 | 0 | 0 | 109.7 | L351 A353 Y358 H359 G371 L372 F377 I385 | L351-F363 HydrophobicContact CD1-CB 3.94Å; L351-F363 HydrophobicContact CD1-CD1 4.05Å; L351-F363 HydrophobicContact CD1-CG 4.19Å; A353-F363 HydrophobicContact CB-CD2 4.41Å; A353-F363 HydrophobicContact CB-CE2 3.53Å; A353-F363 HydrophobicContact CB-CZ 3.87Å; Y358-F363 HydrophobicContact CD1-CD2 4.42Å; Y358-F363 AromaticContact CD2-CD2 3.85Å; Y358-F363 HydrophobicContact CD2-CD2 3.85Å; Y358-F363 HydrophobicContact CD2-CE2 4.33Å; Y358-F363 HydrophobicContact CE2-CD2 4.29Å; Y358-F363 HydrophobicContact CE2-CE2 4.42Å; Y358-F363 AromaticContact CG-CD2 3.92Å; Y358-F363 HydrophobicContact CG-CD2 3.92Å; H359-F363 PolarHBondContact O-N 2.88Å; H359-F363 VanDerWaalsContact O-N 3.08Å; F363-G371 WeakPolarHBondContact O-CA 3.33Å; F363-L372 HydrophobicContact CD1-CB 3.73Å; F363-L372 HydrophobicContact CE1-CB 3.62Å; F363-L372 PolarHBondContact O-N 2.99Å; F363-F377 AromaticContact CE1-CD1 3.74Å; F363-F377 HydrophobicContact CE1-CD1 3.74Å; F363-F377 AromaticContact CE1-CE1 3.89Å; F363-F377 HydrophobicContact CE1-CE1 3.89Å; F363-F377 HydrophobicContact CE1-CG 4.16Å; F363-F377 HydrophobicContact CE1-CZ 4.43Å; F363-F377 AromaticContact CZ-CD1 3.69Å; F363-F377 HydrophobicContact CZ-CD1 3.69Å; F363-F377 AromaticContact CZ-CD2 3.91Å; F363-F377 HydrophobicContact CZ-CD2 3.91Å; F363-F377 AromaticContact CZ-CE1 3.6Å; F363-F377 HydrophobicContact CZ-CE1 3.6Å; F363-F377 AromaticContact CZ-CE2 3.83Å; F363-F377 HydrophobicContact CZ-CE2 3.83Å; F363-F377 AromaticContact CZ-CG 3.86Å; F363-F377 HydrophobicContact CZ-CG 3.86Å; F363-F377 AromaticContact CZ-CZ 3.68Å; F363-F377 HydrophobicContact CZ-CZ 3.68Å; F363-I385 HydrophobicContact CD2-CD1 3.93Å; F363-I385 HydrophobicContact CE2-CD1 3.63Å; F363-I385 HydrophobicContact CE2-CG1 4.32Å; F363-I385 HydrophobicContact CE2-CG2 4.15Å; F363-I385 HydrophobicContact CZ-CG2 4.12Å | ||
| 364 | T | 93.3 | Very high | 89.4 | Confident | 39 Ų | 39 | 55.5 Ų | 55.5 | 24% | 0.239 | 35% | 0.349 | C | S | . | . | B | Isolated β-bridge | trans | -119.3 | 157.1 | -172.6 | 56.1 | 0 | 0 | 0 | 0 | 112.1 | G361 C362 H369 R370 | G361-T364 WeakPolarHBondContact O-CG2 3.49Å; C362-T364 PolarHBondContact O-N 3.13Å; T364-H369 WeakPolarHBondContact CB-O 3.47Å; T364-H369 WeakPolarHBondContact CG2-O 3.35Å; T364-R370 VanDerWaalsContact CA-O 3.29Å; T364-R370 WeakPolarHBondContact CA-O 3.33Å |
| 365 | C | 92.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 35% | 0.345 | C | S | . | . | trans | -68.1 | 134.9 | 169.6 | 179.8 | 0 | 0 | 0 | 0 | 110.9 | V367 C368 H369 R370 L372 I385 C387 D390 | C365-V367 PolarHBondContact O-N 3.31Å; C365-V367 VanDerWaalsContact O-N 3.14Å; C365-V367 PolarHBondContact SG-N 3.07Å; C365-V367 VanDerWaalsContact SG-N 3.38Å; C365-C368 VanDerWaalsContact CB-SG 3.6Å; C365-H369 WeakPolarHBondContact O-CA 3.39Å; C365-H369 PolarHBondContact O-N 3.37Å; C365-H369 PolarHBondContact O-ND1 3Å; C365-H369 VanDerWaalsContact O-ND1 3.12Å; C365-R370 PolarHBondContact N-O 2.95Å; C365-L372 HydrophobicContact CB-CD1 4.09Å; C365-I385 WeakPolarHBondContact CA-O 3.47Å; C365-C387 HydrophobicContact CB-CB 4.29Å; C365-C387 PolarHBondContact SG-N 2.82Å; C365-C387 VanDerWaalsContact SG-N 3.39Å; C365-D390 PolarHBondContact SG-OD2 3.34Å; C365-D390 VanDerWaalsContact SG-OD2 3.41Å | ||
| 366 | V | 90.6 | Very high | 89.6 | Confident | 63 Ų | 63 | 55 Ų | 55 | 38% | 0.382 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -4.3 | 177.4 | -54.8 | 0 | 0 | 0 | 0 | 114.5 | Q384 I385 H386 | V366-Q384 HydrophobicContact CG1-CB 4.4Å; V366-Q384 HydrophobicContact CG2-CB 4.21Å; V366-I385 PolarHBondContact N-O 3.05Å; V366-H386 WeakPolarHBondContact CG2-CE1 3.46Å; V366-H386 WeakPolarHBondContact CG2-NE2 3.38Å |
| 367 | V | 89.6 | Confident | 89.7 | Confident | 61 Ų | 61 | 53.6 Ų | 53.6 | 37% | 0.37 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | -60.8 | -179.7 | 179.2 | 0 | 0 | 0 | 0 | 111.4 | C365 D390 | C365-V367 PolarHBondContact O-N 3.31Å; C365-V367 VanDerWaalsContact O-N 3.14Å; C365-V367 PolarHBondContact SG-N 3.07Å; C365-V367 VanDerWaalsContact SG-N 3.38Å; V367-D390 HydrophobicContact CB-CB 4.04Å; V367-D390 WeakPolarHBondContact CB-OD2 3.27Å; V367-D390 HydrophobicContact CG1-CB 4.17Å; V367-D390 HydrophobicContact CG2-CB 4.38Å |
| 368 | C | 90.8 | Very high | 89.5 | Confident | 62 Ų | 62 | 55 Ų | 55 | 42% | 0.419 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | -3.9 | 179.7 | 63.8 | 0 | 0 | 0 | 0 | 115.4 | C365 R370 D390 | C365-C368 VanDerWaalsContact CB-SG 3.6Å; C368-R370 PolarHBondContact O-N 3.28Å; C368-D390 VanDerWaalsContact CB-OD2 3.25Å; C368-D390 WeakPolarHBondContact CB-OD2 3.14Å; C368-D390 PolarHBondContact N-OD2 3.14Å; C368-D390 PolarHBondContact SG-OD2 2.93Å |
| 369 | H | 90 | Very high | 89.5 | Confident | 133 Ų | 133 | 56.6 Ų | 56.6 | 62% | 0.616 | 34% | 0.344 | S | S | * | . | trans | 55.6 | 6.5 | -178.6 | -56.6 | -37.3 | 0 | 0 | 0 | 117 | T364 C365 G371 | T364-H369 WeakPolarHBondContact CB-O 3.47Å; T364-H369 WeakPolarHBondContact CG2-O 3.35Å; C365-H369 WeakPolarHBondContact O-CA 3.39Å; C365-H369 PolarHBondContact O-N 3.37Å; C365-H369 PolarHBondContact O-ND1 3Å; C365-H369 VanDerWaalsContact O-ND1 3.12Å; H369-G371 PolarHBondContact O-N 3.41Å | ||
| 370 | R | 90 | Very high | 89.2 | Confident | 160 Ų | 160 | 56 Ų | 56 | 60% | 0.604 | 34% | 0.342 | S | S | * | . | trans | -59.6 | 134.4 | 168.3 | 174 | 175 | -80 | 174.9 | -5 | 110.1 | T364 C365 C368 I375 | T364-R370 VanDerWaalsContact CA-O 3.29Å; T364-R370 WeakPolarHBondContact CA-O 3.33Å; C365-R370 PolarHBondContact N-O 2.95Å; C368-R370 PolarHBondContact O-N 3.28Å; R370-I375 HydrophobicContact CG-CD1 4.45Å | ||
| 371 | G | 90.8 | Very high | 89.1 | Confident | 33 Ų | 33 | 60.4 Ų | 60.4 | 34% | 0.34 | 38% | 0.381 | S | S | . | . | B | Isolated β-bridge | trans | -66.1 | 138 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | F363 H369 | F363-G371 WeakPolarHBondContact O-CA 3.33Å; H369-G371 PolarHBondContact O-N 3.41Å |
| 372 | L | 89.8 | Confident | 89 | Confident | 4 Ų | 4 | 61.6 Ų | 61.6 | 2% | 0.021 | 38% | 0.375 | C | S | . | . | trans | -108.6 | 21 | -171.6 | -60.8 | 170 | 0 | 0 | 0 | 112.8 | F363 C365 G374 I375 F377 I385 C387 | F363-L372 HydrophobicContact CD1-CB 3.73Å; F363-L372 HydrophobicContact CE1-CB 3.62Å; F363-L372 PolarHBondContact O-N 2.99Å; C365-L372 HydrophobicContact CB-CD1 4.09Å; L372-G374 PolarHBondContact O-N 2.68Å; L372-I375 HydrophobicContact CD2-CB 4.24Å; L372-I375 HydrophobicContact CD2-CG2 4.04Å; L372-I375 PolarHBondContact O-N 3.29Å; L372-F377 HydrophobicContact CB-CB 4.44Å; L372-F377 HydrophobicContact CD1-CB 3.93Å; L372-I385 HydrophobicContact CD1-CG2 3.64Å; L372-C387 HydrophobicContact CD2-CB 3.7Å | ||
| 373 | D | 88.2 | Confident | 88.8 | Confident | 66 Ų | 66 | 63.4 Ų | 63.4 | 35% | 0.353 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | 119.3 | 171.6 | -178.4 | 36.3 | 0 | 0 | 0 | 110.8 | R349 L351 I375 | R349-D373 IonicContact CZ-OD1 2.76Å; R349-D373 IonicContact CZ-OD2 2.65Å; R349-D373 VanDerWaalsContact CZ-OD2 3.26Å; R349-D373 IonicContact NH1-OD1 3.69Å; R349-D373 PolarHBondContact NH1-OD1 3.04Å; R349-D373 IonicContact NH1-OD2 2.89Å; R349-D373 PolarHBondContact NH1-OD2 3.44Å; R349-D373 IonicContact NH2-OD1 2.77Å; R349-D373 IonicContact NH2-OD2 3.76Å; R349-D373 PolarHBondContact NH2-OD2 3.39Å; L351-D373 HydrophobicContact CD1-CB 4.09Å; D373-I375 PolarHBondContact O-N 3.19Å; D373-I375 VanDerWaalsContact O-N 3.14Å |
| 374 | G | 83.8 | Confident | 88.6 | Confident | 82 Ų | 82 | 67.5 Ų | 67.5 | 85% | 0.845 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.2 | 0.4 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | L372 | L372-G374 PolarHBondContact O-N 2.68Š|
| 375 | I | 86.7 | Confident | 88.4 | Confident | 68 Ų | 68 | 66.4 Ų | 66.4 | 35% | 0.349 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -100.1 | 132.1 | 179.3 | -57.4 | -176.5 | 0 | 0 | 0 | 108.9 | R370 L372 D373 F377 | R370-I375 HydrophobicContact CG-CD1 4.45Å; L372-I375 HydrophobicContact CD2-CB 4.24Å; L372-I375 HydrophobicContact CD2-CG2 4.04Å; L372-I375 PolarHBondContact O-N 3.29Å; D373-I375 PolarHBondContact O-N 3.19Å; D373-I375 VanDerWaalsContact O-N 3.14Å; I375-F377 PolarHBondContact O-N 3.28Å |
| 376 | P | 84.8 | Confident | 88.3 | Confident | 91 Ų | 91 | 66.5 Ų | 66.5 | 59% | 0.591 | 40% | 0.4 | S | S | * | . | trans | -64.3 | 129.9 | 176.7 | 29.2 | -36.1 | 0 | 0 | 0 | 110.5 | I388 | P376-I388 HydrophobicContact CB-CD1 3.74Å; P376-I388 HydrophobicContact CG-CD1 4.17Å | ||
| 377 | F | 89.9 | Confident | 88.3 | Confident | 77 Ų | 77 | 64 Ų | 64 | 34% | 0.338 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 166.8 | -173.7 | 69.1 | -89.8 | 0 | 0 | 0 | 110.7 | A353 F363 L372 I375 V379 I385 | A353-F377 HydrophobicContact CB-CE2 4.44Å; A353-F377 HydrophobicContact CB-CZ 3.95Å; F363-F377 AromaticContact CE1-CD1 3.74Å; F363-F377 HydrophobicContact CE1-CD1 3.74Å; F363-F377 AromaticContact CE1-CE1 3.89Å; F363-F377 HydrophobicContact CE1-CE1 3.89Å; F363-F377 HydrophobicContact CE1-CG 4.16Å; F363-F377 HydrophobicContact CE1-CZ 4.43Å; F363-F377 AromaticContact CZ-CD1 3.69Å; F363-F377 HydrophobicContact CZ-CD1 3.69Å; F363-F377 AromaticContact CZ-CD2 3.91Å; F363-F377 HydrophobicContact CZ-CD2 3.91Å; F363-F377 AromaticContact CZ-CE1 3.6Å; F363-F377 HydrophobicContact CZ-CE1 3.6Å; F363-F377 AromaticContact CZ-CE2 3.83Å; F363-F377 HydrophobicContact CZ-CE2 3.83Å; F363-F377 AromaticContact CZ-CG 3.86Å; F363-F377 HydrophobicContact CZ-CG 3.86Å; F363-F377 AromaticContact CZ-CZ 3.68Å; F363-F377 HydrophobicContact CZ-CZ 3.68Å; L372-F377 HydrophobicContact CB-CB 4.44Å; L372-F377 HydrophobicContact CD1-CB 3.93Å; I375-F377 PolarHBondContact O-N 3.28Å; F377-V379 HydrophobicContact CD2-CG2 4.21Å; F377-V379 HydrophobicContact CE2-CG2 4.1Å; F377-I385 HydrophobicContact CD2-CG2 4.25Å |
| 378 | T | 88.6 | Confident | 88.2 | Confident | 37 Ų | 37 | 64 Ų | 64 | 23% | 0.227 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 170.3 | 176.6 | -175.9 | 0 | 0 | 0 | 0 | 110 | H386 I388 F391 | T378-H386 HydrophobicContact CG2-CB 4.23Å; T378-H386 PolarHBondContact N-O 3.07Å; T378-H386 PolarHBondContact O-N 3.17Å; T378-H386 VanDerWaalsContact O-O 3.11Å; T378-I388 HydrophobicContact CG2-CG1 4.34Å; T378-F391 HydrophobicContact CG2-CB 3.34Å; T378-F391 HydrophobicContact CG2-CD1 3.57Å; T378-F391 HydrophobicContact CG2-CD2 3.74Å; T378-F391 HydrophobicContact CG2-CE1 4.28Å; T378-F391 HydrophobicContact CG2-CE2 4.42Å; T378-F391 HydrophobicContact CG2-CG 3.26Å |
| 379 | V | 89.6 | Confident | 88 | Confident | 46 Ų | 46 | 65.9 Ų | 65.9 | 28% | 0.279 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 127.2 | -170.4 | -177.4 | 0 | 0 | 0 | 0 | 110 | M354 F377 Q384 | M354-V379 HydrophobicContact CE-CG1 3.6Å; M354-V379 HydrophobicContact CG-CG2 4.19Å; M354-V379 HydrophobicContact SD-CB 4.36Å; M354-V379 HydrophobicContact SD-CG1 3.61Å; M354-V379 HydrophobicContact SD-CG2 3.79Å; F377-V379 HydrophobicContact CD2-CG2 4.21Å; F377-V379 HydrophobicContact CE2-CG2 4.1Å; V379-Q384 WeakPolarHBondContact CA-O 3.44Å |
| 380 | D | 86.6 | Confident | 87.9 | Confident | 23 Ų | 23 | 60.1 Ų | 60.1 | 12% | 0.123 | 36% | 0.359 | C | S | . | . | trans | -73.4 | 163.4 | 178.5 | -78.2 | 32.2 | 0 | 0 | 0 | 111.5 | T382 S383 Q384 H386 F391 F395 | D380-T382 WeakPolarHBondContact CB-OG1 3.44Å; D380-T382 PolarHBondContact O-N 2.77Å; D380-S383 WeakPolarHBondContact O-CA 3.25Å; D380-S383 PolarHBondContact O-N 2.92Å; D380-Q384 PolarHBondContact N-O 2.65Å; D380-H386 VanDerWaalsContact CG-CD2 3.4Å; D380-H386 IonicContact OD1-CD2 2.89Å; D380-H386 PolarHBondContact OD1-CD2 2.84Å; D380-H386 IonicContact OD1-CG 3.22Å; D380-H386 IonicContact OD1-NE2 2.73Å; D380-H386 IonicContact OD2-CD2 3.71Å; D380-H386 IonicContact OD2-NE2 3.64Å; D380-F391 WeakPolarHBondContact OD1-CD2 3.13Å; D380-F391 VanDerWaalsContact OD1-CE2 3.27Å; D380-F391 WeakPolarHBondContact OD1-CE2 3.07Å; D380-F395 WeakPolarHBondContact OD2-CE2 3.39Å; D380-F395 WeakPolarHBondContact OD2-CZ 3.49Å | ||
| 381 | A | 85.6 | Confident | 87.9 | Confident | 118 Ų | 118 | 54.7 Ų | 54.7 | 98% | 0.975 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -20.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | S383 | A381-S383 VanDerWaalsContact C-N 3.25Å; A381-S383 PolarHBondContact O-N 2.91Å |
| 382 | T | 87.1 | Confident | 87.6 | Confident | 91 Ų | 91 | 55.3 Ų | 55.3 | 56% | 0.558 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | 2.9 | 173.1 | 54.7 | 0 | 0 | 0 | 0 | 114.1 | D380 Q384 | D380-T382 WeakPolarHBondContact CB-OG1 3.44Å; D380-T382 PolarHBondContact O-N 2.77Å; T382-Q384 PolarHBondContact O-N 3.47Å; T382-Q384 WeakPolarHBondContact OG1-CG 3.29Å; T382-Q384 PolarHBondContact OG1-OE1 2.92Å |
| 383 | S | 84.9 | Confident | 87.3 | Confident | 70 Ų | 70 | 61.6 Ų | 61.6 | 49% | 0.49 | 36% | 0.358 | S | S | . | . | trans | 60 | 24.9 | -170.8 | -61.8 | 0 | 0 | 0 | 0 | 114.6 | D380 A381 | D380-S383 WeakPolarHBondContact O-CA 3.25Å; D380-S383 PolarHBondContact O-N 2.92Å; A381-S383 VanDerWaalsContact C-N 3.25Å; A381-S383 PolarHBondContact O-N 2.91Å | ||
| 384 | Q | 88 | Confident | 86.9 | Confident | 94 Ų | 94 | 64 Ų | 64 | 44% | 0.439 | 37% | 0.365 | S | S | . | . | trans | -88 | 143.6 | 173.7 | -68.2 | 177.8 | -58.1 | 0 | 0 | 110.8 | V366 V379 D380 T382 H386 | V366-Q384 HydrophobicContact CG1-CB 4.4Å; V366-Q384 HydrophobicContact CG2-CB 4.21Å; V379-Q384 WeakPolarHBondContact CA-O 3.44Å; D380-Q384 PolarHBondContact N-O 2.65Å; T382-Q384 PolarHBondContact O-N 3.47Å; T382-Q384 WeakPolarHBondContact OG1-CG 3.29Å; T382-Q384 PolarHBondContact OG1-OE1 2.92Å; Q384-H386 PolarHBondContact O-CD2 3.35Å | ||
| 385 | I | 89.3 | Confident | 86.9 | Confident | 16 Ų | 16 | 65.7 Ų | 65.7 | 8% | 0.082 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 125.1 | -174.9 | -59.6 | 156.7 | 0 | 0 | 0 | 109.8 | Y358 F363 C365 V366 L372 F377 | Y358-I385 HydrophobicContact CE1-CD1 4.34Å; F363-I385 HydrophobicContact CD2-CD1 3.93Å; F363-I385 HydrophobicContact CE2-CD1 3.63Å; F363-I385 HydrophobicContact CE2-CG1 4.32Å; F363-I385 HydrophobicContact CE2-CG2 4.15Å; F363-I385 HydrophobicContact CZ-CG2 4.12Å; C365-I385 WeakPolarHBondContact CA-O 3.47Å; V366-I385 PolarHBondContact N-O 3.05Å; L372-I385 HydrophobicContact CD1-CG2 3.64Å; F377-I385 HydrophobicContact CD2-CG2 4.25Å |
| 386 | H | 90 | Very high | 86.8 | Confident | 1 Ų | 1 | 63.3 Ų | 63.3 | 1% | 0.005 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 143.6 | 179.9 | -67.6 | -89.5 | 0 | 0 | 0 | 111.2 | V366 T378 D380 Q384 F391 | V366-H386 WeakPolarHBondContact CG2-CE1 3.46Å; V366-H386 WeakPolarHBondContact CG2-NE2 3.38Å; T378-H386 HydrophobicContact CG2-CB 4.23Å; T378-H386 PolarHBondContact N-O 3.07Å; T378-H386 PolarHBondContact O-N 3.17Å; T378-H386 VanDerWaalsContact O-O 3.11Å; D380-H386 VanDerWaalsContact CG-CD2 3.4Å; D380-H386 IonicContact OD1-CD2 2.89Å; D380-H386 PolarHBondContact OD1-CD2 2.84Å; D380-H386 IonicContact OD1-CG 3.22Å; D380-H386 IonicContact OD1-NE2 2.73Å; D380-H386 IonicContact OD2-CD2 3.71Å; D380-H386 IonicContact OD2-NE2 3.64Å; Q384-H386 PolarHBondContact O-CD2 3.35Å; H386-F391 HydrophobicContact CB-CB 3.97Å; H386-F391 HydrophobicContact CB-CD2 4.47Å |
| 387 | C | 91.2 | Very high | 86.8 | Confident | 12 Ų | 12 | 61 Ų | 61 | 8% | 0.081 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 150.9 | 160.9 | 75.3 | 0 | 0 | 0 | 0 | 108.4 | C365 L372 E389 D390 F391 | C365-C387 HydrophobicContact CB-CB 4.29Å; C365-C387 PolarHBondContact SG-N 2.82Å; C365-C387 VanDerWaalsContact SG-N 3.39Å; L372-C387 HydrophobicContact CD2-CB 3.7Å; C387-E389 PolarHBondContact O-N 3.5Å; C387-D390 PolarHBondContact O-N 3.31Å; C387-D390 VanDerWaalsContact SG-CB 3.58Å; C387-D390 PolarHBondContact SG-N 3.18Å; C387-D390 PolarHBondContact SG-OD2 3.4Å; C387-D390 VanDerWaalsContact SG-OD2 3.37Å; C387-F391 WeakPolarHBondContact O-CB 3.49Å; C387-F391 PolarHBondContact O-N 3.49Å |
| 388 | I | 87.8 | Confident | 86.8 | Confident | 61 Ų | 61 | 64.1 Ų | 64.1 | 31% | 0.313 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -58.3 | -32.7 | -178.6 | -69.8 | 177 | 0 | 0 | 0 | 111.5 | P376 T378 H392 | P376-I388 HydrophobicContact CB-CD1 3.74Å; P376-I388 HydrophobicContact CG-CD1 4.17Å; T378-I388 HydrophobicContact CG2-CG1 4.34Å; I388-H392 VanDerWaalsContact CG2-CE1 3.47Å; I388-H392 WeakPolarHBondContact CG2-CE1 3.34Å; I388-H392 WeakPolarHBondContact CG2-ND1 3.39Å; I388-H392 WeakPolarHBondContact O-CB 3.25Å; I388-H392 PolarHBondContact O-N 3.3Å |
| 389 | E | 84.9 | Confident | 86.8 | Confident | 100 Ų | 100 | 62.4 Ų | 62.4 | 47% | 0.467 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65.5 | -53.2 | 177.9 | -160.6 | -164.2 | 147.9 | 0 | 0 | 112.8 | C387 F391 H392 R393 | C387-E389 PolarHBondContact O-N 3.5Å; E389-F391 VanDerWaalsContact C-N 3.31Å; E389-F391 PolarHBondContact O-N 3.18Å; E389-H392 PolarHBondContact O-N 3.24Å; E389-R393 WeakPolarHBondContact O-CB 3.36Å; E389-R393 PolarHBondContact O-N 2.9Å; E389-R393 IonicContact OE1-CZ 3.19Å; E389-R393 IonicContact OE1-NH2 3.63Å; E389-R393 PolarHBondContact OE1-NH2 2.93Å |
| 390 | D | 88.4 | Confident | 86.6 | Confident | 13 Ų | 13 | 63.3 Ų | 63.3 | 7% | 0.07 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -66.8 | -33.3 | 179.3 | -78.3 | -38.1 | 0 | 0 | 0 | 112 | C365 V367 C368 C387 K394 | C365-D390 PolarHBondContact SG-OD2 3.34Å; C365-D390 VanDerWaalsContact SG-OD2 3.41Å; V367-D390 HydrophobicContact CB-CB 4.04Å; V367-D390 WeakPolarHBondContact CB-OD2 3.27Å; V367-D390 HydrophobicContact CG1-CB 4.17Å; V367-D390 HydrophobicContact CG2-CB 4.38Å; C368-D390 VanDerWaalsContact CB-OD2 3.25Å; C368-D390 WeakPolarHBondContact CB-OD2 3.14Å; C368-D390 PolarHBondContact N-OD2 3.14Å; C368-D390 PolarHBondContact SG-OD2 2.93Å; C387-D390 PolarHBondContact O-N 3.31Å; C387-D390 VanDerWaalsContact SG-CB 3.58Å; C387-D390 PolarHBondContact SG-N 3.18Å; C387-D390 PolarHBondContact SG-OD2 3.4Å; C387-D390 VanDerWaalsContact SG-OD2 3.37Å; D390-K394 WeakPolarHBondContact O-CG 3.49Å; D390-K394 PolarHBondContact O-N 2.97Å |
| 391 | F | 89.3 | Confident | 86.6 | Confident | 45 Ų | 45 | 66 Ų | 66 | 20% | 0.197 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.8 | -57.5 | 174.7 | -178.8 | -104.1 | 0 | 0 | 0 | 111 | T378 D380 H386 C387 E389 R393 K394 F395 | T378-F391 HydrophobicContact CG2-CB 3.34Å; T378-F391 HydrophobicContact CG2-CD1 3.57Å; T378-F391 HydrophobicContact CG2-CD2 3.74Å; T378-F391 HydrophobicContact CG2-CE1 4.28Å; T378-F391 HydrophobicContact CG2-CE2 4.42Å; T378-F391 HydrophobicContact CG2-CG 3.26Å; D380-F391 WeakPolarHBondContact OD1-CD2 3.13Å; D380-F391 VanDerWaalsContact OD1-CE2 3.27Å; D380-F391 WeakPolarHBondContact OD1-CE2 3.07Å; H386-F391 HydrophobicContact CB-CB 3.97Å; H386-F391 HydrophobicContact CB-CD2 4.47Å; C387-F391 WeakPolarHBondContact O-CB 3.49Å; C387-F391 PolarHBondContact O-N 3.49Å; E389-F391 VanDerWaalsContact C-N 3.31Å; E389-F391 PolarHBondContact O-N 3.18Å; F391-R393 VanDerWaalsContact C-N 3.3Å; F391-R393 PolarHBondContact O-N 2.89Å; F391-K394 WeakPolarHBondContact O-CB 3.31Å; F391-K394 PolarHBondContact O-N 3.41Å; F391-K394 VanDerWaalsContact O-N 3.07Å; F391-F395 HydrophobicContact CD1-CD2 4.47Å; F391-F395 AromaticContact CD2-CD2 3.42Å; F391-F395 HydrophobicContact CD2-CD2 3.42Å; F391-F395 VanDerWaalsContact CD2-CD2 3.42Å; F391-F395 AromaticContact CD2-CE2 3.59Å; F391-F395 HydrophobicContact CD2-CE2 3.59Å; F391-F395 HydrophobicContact CE1-CD2 4.44Å; F391-F395 AromaticContact CE2-CD2 3.38Å; F391-F395 HydrophobicContact CE2-CD2 3.38Å; F391-F395 AromaticContact CE2-CE2 3.57Å; F391-F395 HydrophobicContact CE2-CE2 3.57Å; F391-F395 HydrophobicContact CE2-CG 4.38Å; F391-F395 AromaticContact CG-CD2 3.99Å; F391-F395 HydrophobicContact CG-CD2 3.99Å; F391-F395 AromaticContact CZ-CD2 3.92Å; F391-F395 HydrophobicContact CZ-CD2 3.92Å; F391-F395 HydrophobicContact CZ-CE2 4.49Å; F391-F395 VanDerWaalsContact O-CD2 3.25Å; F391-F395 WeakPolarHBondContact O-CD2 3.47Å; F391-F395 PolarHBondContact O-N 3.36Å |
| 392 | H | 84.6 | Confident | 86.6 | Confident | 47 Ų | 47 | 63.9 Ų | 63.9 | 22% | 0.218 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.1 | -33.6 | 178 | -68.2 | 164.2 | 0 | 0 | 0 | 112.2 | I388 E389 K394 F395 A396 M407 | I388-H392 VanDerWaalsContact CG2-CE1 3.47Å; I388-H392 WeakPolarHBondContact CG2-CE1 3.34Å; I388-H392 WeakPolarHBondContact CG2-ND1 3.39Å; I388-H392 WeakPolarHBondContact O-CB 3.25Å; I388-H392 PolarHBondContact O-N 3.3Å; E389-H392 PolarHBondContact O-N 3.24Å; H392-K394 PolarHBondContact O-N 3.46Å; H392-K394 VanDerWaalsContact O-N 3.17Å; H392-F395 PolarHBondContact O-N 2.97Å; H392-A396 HydrophobicContact CB-CB 3.97Å; H392-A396 WeakPolarHBondContact O-CA 3.48Å; H392-A396 WeakPolarHBondContact O-CB 3.39Å; H392-A396 PolarHBondContact O-N 2.9Å; H392-M407 HydrophobicContact CB-CE 3.74Å; H392-M407 HydrophobicContact CB-SD 3.31Å; H392-M407 WeakPolarHBondContact CB-SD 3.45Å |
| 393 | R | 83.6 | Confident | 86.4 | Confident | 136 Ų | 136 | 61.4 Ų | 61.4 | 51% | 0.513 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -59.3 | -27.5 | 174.1 | -171.7 | -174.2 | -68.6 | -156.1 | 0.7 | 113 | E389 F391 R398 | E389-R393 WeakPolarHBondContact O-CB 3.36Å; E389-R393 PolarHBondContact O-N 2.9Å; E389-R393 IonicContact OE1-CZ 3.19Å; E389-R393 IonicContact OE1-NH2 3.63Å; E389-R393 PolarHBondContact OE1-NH2 2.93Å; F391-R393 VanDerWaalsContact C-N 3.3Å; F391-R393 PolarHBondContact O-N 2.89Å; R393-R398 PolarHBondContact O-NH2 2.89Å |
| 394 | K | 81.3 | Confident | 86.4 | Confident | 116 Ų | 116 | 59.4 Ų | 59.4 | 50% | 0.504 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -87.2 | -46.2 | 172.5 | -71 | 178.6 | 178.5 | -175 | 0 | 113.4 | D390 F391 H392 | D390-K394 WeakPolarHBondContact O-CG 3.49Å; D390-K394 PolarHBondContact O-N 2.97Å; F391-K394 WeakPolarHBondContact O-CB 3.31Å; F391-K394 PolarHBondContact O-N 3.41Å; F391-K394 VanDerWaalsContact O-N 3.07Å; H392-K394 PolarHBondContact O-N 3.46Å; H392-K394 VanDerWaalsContact O-N 3.17Å |
| 395 | F | 82.3 | Confident | 86.4 | Confident | 118 Ų | 118 | 56.1 Ų | 56.1 | 52% | 0.518 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -109.8 | -13.9 | -163.9 | -58.6 | -66.7 | 0 | 0 | 0 | 115.8 | D380 F391 H392 | D380-F395 WeakPolarHBondContact OD2-CE2 3.39Å; D380-F395 WeakPolarHBondContact OD2-CZ 3.49Å; F391-F395 HydrophobicContact CD1-CD2 4.47Å; F391-F395 AromaticContact CD2-CD2 3.42Å; F391-F395 HydrophobicContact CD2-CD2 3.42Å; F391-F395 VanDerWaalsContact CD2-CD2 3.42Å; F391-F395 AromaticContact CD2-CE2 3.59Å; F391-F395 HydrophobicContact CD2-CE2 3.59Å; F391-F395 HydrophobicContact CE1-CD2 4.44Å; F391-F395 AromaticContact CE2-CD2 3.38Å; F391-F395 HydrophobicContact CE2-CD2 3.38Å; F391-F395 AromaticContact CE2-CE2 3.57Å; F391-F395 HydrophobicContact CE2-CE2 3.57Å; F391-F395 HydrophobicContact CE2-CG 4.38Å; F391-F395 AromaticContact CG-CD2 3.99Å; F391-F395 HydrophobicContact CG-CD2 3.99Å; F391-F395 AromaticContact CZ-CD2 3.92Å; F391-F395 HydrophobicContact CZ-CD2 3.92Å; F391-F395 HydrophobicContact CZ-CE2 4.49Å; F391-F395 VanDerWaalsContact O-CD2 3.25Å; F391-F395 WeakPolarHBondContact O-CD2 3.47Å; F391-F395 PolarHBondContact O-N 3.36Å; H392-F395 PolarHBondContact O-N 2.97Å |
| 396 | A | 85.3 | Confident | 86.2 | Confident | 18 Ų | 18 | 55.5 Ų | 55.5 | 15% | 0.149 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -74.4 | 147.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | H392 A405 | H392-A396 HydrophobicContact CB-CB 3.97Å; H392-A396 WeakPolarHBondContact O-CA 3.48Å; H392-A396 WeakPolarHBondContact O-CB 3.39Å; H392-A396 PolarHBondContact O-N 2.9Å; A396-A405 HydrophobicContact CB-CB 4.3Å |
| 397 | P | 85.3 | Confident | 85.7 | Confident | 42 Ų | 42 | 59.2 Ų | 59.2 | 27% | 0.273 | 31% | 0.313 | S | S | . | . | P | Polyproline II helix | trans | -60.6 | 141.9 | 175.7 | 26.2 | -34.1 | 0 | 0 | 0 | 110.6 | I406 | P397-I406 HydrophobicContact CG-CB 4.5Å; P397-I406 WeakPolarHBondContact O-CG1 3.5Å; P397-I406 PolarHBondContact O-N 2.95Å |
| 398 | R | 88.5 | Confident | 85 | Confident | 142 Ų | 142 | 60.1 Ų | 60.1 | 54% | 0.536 | 32% | 0.319 | S | S | . | . | B | Isolated β-bridge | trans | -93.9 | 142.6 | 176.9 | -68 | 175.8 | 177.3 | -87.8 | -6.8 | 110.3 | R393 G403 G404 | R393-R398 PolarHBondContact O-NH2 2.89Å; R398-G403 PolarHBondContact NH1-O 3.44Å; R398-G404 WeakPolarHBondContact CA-O 3.5Å |
| 399 | C | 89 | Confident | 84.2 | Confident | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.007 | 33% | 0.332 | C | S | . | . | B | Isolated β-bridge | trans | -71.7 | 128.5 | 171.3 | 174.1 | 0 | 0 | 0 | 0 | 110.2 | V401 G403 G404 I406 S424 H426 C429 | C399-V401 PolarHBondContact O-N 3.15Å; C399-V401 VanDerWaalsContact O-N 3.15Å; C399-G403 WeakPolarHBondContact O-CA 3.44Å; C399-G403 PolarHBondContact O-N 2.82Å; C399-G404 PolarHBondContact N-O 3.48Å; C399-I406 HydrophobicContact CB-CD1 4.28Å; C399-I406 HydrophobicContact CB-CG1 4.17Å; C399-S424 VanDerWaalsContact CA-O 3.3Å; C399-S424 WeakPolarHBondContact CA-O 3.45Å; C399-H426 VanDerWaalsContact CB-CE1 3.45Å; C399-H426 WeakPolarHBondContact CB-CE1 3.3Å; C399-H426 WeakPolarHBondContact CB-ND1 3.11Å; C399-C429 WeakPolarHBondContact SG-CB 3.47Å |
| 400 | S | 86.6 | Confident | 83.4 | Confident | 65 Ų | 65 | 65.4 Ų | 65.4 | 46% | 0.455 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -12 | -177.9 | -169.2 | 0 | 0 | 0 | 0 | 114.5 | S424 | S400-S424 PolarHBondContact N-O 3.41Š|
| 401 | V | 84.8 | Confident | 82.5 | Confident | 81 Ų | 81 | 68.8 Ų | 68.8 | 49% | 0.491 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | -42.2 | -178.7 | 176.2 | 0 | 0 | 0 | 0 | 112.1 | C399 F425 C429 | C399-V401 PolarHBondContact O-N 3.15Å; C399-V401 VanDerWaalsContact O-N 3.15Å; V401-F425 HydrophobicContact CG2-CD1 3.91Å; V401-F425 HydrophobicContact CG2-CE1 3.96Å; V401-C429 HydrophobicContact CB-CB 4.23Å |
| 402 | C | 87 | Confident | 81.7 | Confident | 73 Ų | 73 | 71.2 Ų | 71.2 | 49% | 0.493 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.4 | -5.5 | -175.7 | 71.3 | 0 | 0 | 0 | 0 | 114.6 | G404 H426 | C402-G404 PolarHBondContact O-N 2.86Å; C402-H426 PolarHBondContact SG-CE1 2.92Å; C402-H426 PolarHBondContact SG-ND1 3Å; C402-H426 VanDerWaalsContact SG-ND1 3.41Å |
| 403 | G | 83.2 | Confident | 80.6 | Confident | 38 Ų | 38 | 77.6 Ų | 77.6 | 39% | 0.392 | 43% | 0.434 | S | S | . | . | trans | 69.3 | -10 | -178 | 0 | 0 | 0 | 0 | 0 | 115.8 | R398 C399 | R398-G403 PolarHBondContact NH1-O 3.44Å; C399-G403 WeakPolarHBondContact O-CA 3.44Å; C399-G403 PolarHBondContact O-N 2.82Å | ||
| 404 | G | 84.7 | Confident | 80 | Confident | 28 Ų | 28 | 78.7 Ų | 78.7 | 29% | 0.289 | 45% | 0.445 | S | S | . | . | trans | -69.8 | 150.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | R398 C399 C402 | R398-G404 WeakPolarHBondContact CA-O 3.5Å; C399-G404 PolarHBondContact N-O 3.48Å; C402-G404 PolarHBondContact O-N 2.86Å | ||
| 405 | A | 87 | Confident | 79.7 | Confident | 25 Ų | 25 | 75.4 Ų | 75.4 | 21% | 0.207 | 44% | 0.435 | C | S | . | . | B | Isolated β-bridge | trans | -66.1 | 143 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | A396 M407 H426 | A396-A405 HydrophobicContact CB-CB 4.3Å; A405-M407 HydrophobicContact CB-SD 4.39Å; A405-M407 PolarHBondContact O-N 2.95Å; A405-H426 PolarHBondContact O-NE2 2.87Å |
| 406 | I | 85.6 | Confident | 79.7 | Confident | 4 Ų | 4 | 74.6 Ų | 74.6 | 2% | 0.021 | 44% | 0.44 | C | S | . | . | trans | -92.2 | 96.8 | 175.3 | -53.8 | 165.4 | 0 | 0 | 0 | 107.8 | P397 C399 R417 | P397-I406 HydrophobicContact CG-CB 4.5Å; P397-I406 WeakPolarHBondContact O-CG1 3.5Å; P397-I406 PolarHBondContact O-N 2.95Å; C399-I406 HydrophobicContact CB-CD1 4.28Å; C399-I406 HydrophobicContact CB-CG1 4.17Å; I406-R417 HydrophobicContact CD1-CB 4.17Å; I406-R417 HydrophobicContact CG2-CB 3.81Å | ||
| 407 | M | 79.5 | Confident | 79.7 | Confident | 78 Ų | 78 | 79 Ų | 79 | 38% | 0.384 | 45% | 0.452 | S | S | . | . | P | Polyproline II helix | trans | -91 | 151.2 | -177.4 | -61.7 | -68.2 | -67.8 | 0 | 0 | 111.1 | H392 A405 | H392-M407 HydrophobicContact CB-CE 3.74Å; H392-M407 HydrophobicContact CB-SD 3.31Å; H392-M407 WeakPolarHBondContact CB-SD 3.45Å; A405-M407 HydrophobicContact CB-SD 4.39Å; A405-M407 PolarHBondContact O-N 2.95Å |
| 408 | P | 75.6 | Confident | 79.8 | Confident | 31 Ų | 31 | 78 Ų | 78 | 20% | 0.201 | 45% | 0.445 | C | S | . | . | P | Polyproline II helix | trans | -76.9 | 155.3 | 162.4 | 32.9 | -29.7 | 0 | 0 | 0 | 109.7 | T415 | P408-T415 HydrophobicContact CB-CG2 3.91Å; P408-T415 HydrophobicContact CG-CG2 4.01Å |
| 409 | E | 72.9 | Confident | 79.6 | Confident | 126 Ų | 126 | 75.4 Ų | 75.4 | 59% | 0.589 | 45% | 0.445 | S | S | * | . | P | Polyproline II helix | trans | -71.9 | 149 | 172.5 | -59.8 | -169.6 | 132.6 | 0 | 0 | 110.8 | G411 Q412 | E409-G411 PolarHBondContact O-N 3.03Å; E409-Q412 HydrophobicContact CB-CG 4.5Å; E409-Q412 PolarHBondContact O-N 2.92Å; E409-Q412 PolarHBondContact OE2-NE2 3.26Å |
| 410 | P | 67.6 | Low | 79.3 | Confident | 147 Ų | 147 | 76 Ų | 76 | 96% | 0.955 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | 100.9 | -177.7 | -24.7 | 35.5 | 0 | 0 | 0 | 112.9 | ||
| 411 | G | 69.4 | Low | 79 | Confident | 83 Ų | 83 | 76.5 Ų | 76.5 | 86% | 0.856 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 119.5 | -7.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | E409 | E409-G411 PolarHBondContact O-N 3.03Š|
| 412 | Q | 71.8 | Confident | 78.9 | Confident | 97 Ų | 97 | 80.8 Ų | 80.8 | 45% | 0.453 | 47% | 0.467 | S | S | . | . | trans | -97.2 | 133.8 | 169.4 | -67.8 | 166.6 | 22.4 | 0 | 0 | 109.9 | E409 | E409-Q412 HydrophobicContact CB-CG 4.5Å; E409-Q412 PolarHBondContact O-N 2.92Å; E409-Q412 PolarHBondContact OE2-NE2 3.26Å | ||
| 413 | E | 62.7 | Low | 78.8 | Confident | 180 Ų | 180 | 82.1 Ų | 82.1 | 84% | 0.841 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -84.9 | -18.5 | 178.1 | -63.4 | -168.2 | 141.2 | 0 | 0 | 113.1 | ||
| 414 | E | 71.1 | Confident | 79.1 | Confident | 159 Ų | 159 | 81.3 Ų | 81.3 | 74% | 0.743 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -110.4 | 135.2 | -176.7 | -62.4 | -164.4 | 143.9 | 0 | 0 | 113 | V416 | E414-V416 PolarHBondContact O-N 3.14Š|
| 415 | T | 74.8 | Confident | 79.2 | Confident | 48 Ų | 48 | 80.1 Ų | 80.1 | 29% | 0.294 | 44% | 0.437 | S | S | . | . | trans | -87.3 | 100.3 | 172.4 | 61.2 | 0 | 0 | 0 | 0 | 110.6 | P408 R417 | P408-T415 HydrophobicContact CB-CG2 3.91Å; P408-T415 HydrophobicContact CG-CG2 4.01Å; T415-R417 PolarHBondContact O-N 3.45Å; T415-R417 VanDerWaalsContact O-N 3.14Å | ||
| 416 | V | 81.8 | Confident | 79.3 | Confident | 100 Ų | 100 | 81.3 Ų | 81.3 | 61% | 0.606 | 44% | 0.438 | S | S | * | . | trans | -68.3 | 113.2 | 169.2 | -173.5 | 0 | 0 | 0 | 0 | 108.8 | E414 I427 | E414-V416 PolarHBondContact O-N 3.14Å; V416-I427 HydrophobicContact CB-CD1 4.24Å; V416-I427 HydrophobicContact CG1-CD1 3.8Å; V416-I427 HydrophobicContact CG1-CG1 4.36Å | ||
| 417 | R | 85.7 | Confident | 79.3 | Confident | 110 Ų | 110 | 85.8 Ų | 85.8 | 42% | 0.415 | 46% | 0.461 | S | S | . | . | trans | -137 | 142.6 | 177.7 | 74.3 | 178.7 | -173.7 | -100.2 | -0.7 | 110.3 | I406 T415 V419 | I406-R417 HydrophobicContact CD1-CB 4.17Å; I406-R417 HydrophobicContact CG2-CB 3.81Å; T415-R417 PolarHBondContact O-N 3.45Å; T415-R417 VanDerWaalsContact O-N 3.14Å; R417-V419 HydrophobicContact CG-CG2 4.14Å | ||
| 418 | I | 86 | Confident | 79.5 | Confident | 23 Ų | 23 | 84.7 Ų | 84.7 | 12% | 0.118 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 133.7 | 174.6 | -59.6 | 177.5 | 0 | 0 | 0 | 107.8 | S424 F425 I427 Y430 | I418-S424 CarbonylContact O-C 3.57Å; I418-S424 WeakPolarHBondContact O-CA 3.33Å; I418-F425 HydrophobicContact CB-CB 4.43Å; I418-F425 PolarHBondContact N-O 3.17Å; I418-F425 VanDerWaalsContact N-O 3.07Å; I418-F425 PolarHBondContact O-N 3.19Å; I418-I427 HydrophobicContact CD1-CG2 4.47Å; I418-Y430 HydrophobicContact CB-CD1 4.43Å; I418-Y430 HydrophobicContact CB-CG 4.27Å; I418-Y430 HydrophobicContact CD1-CD1 3.45Å; I418-Y430 VanDerWaalsContact CD1-CD1 3.45Å; I418-Y430 HydrophobicContact CD1-CE1 4.17Å; I418-Y430 HydrophobicContact CD1-CG 3.87Å; I418-Y430 HydrophobicContact CG1-CD1 4.49Å; I418-Y430 HydrophobicContact CG2-CD1 3.81Å; I418-Y430 HydrophobicContact CG2-CD2 3.87Å; I418-Y430 HydrophobicContact CG2-CE1 3.83Å; I418-Y430 HydrophobicContact CG2-CE2 3.9Å; I418-Y430 HydrophobicContact CG2-CG 3.8Å |
| 419 | V | 86.1 | Confident | 80 | Confident | 87 Ų | 87 | 84.5 Ų | 84.5 | 53% | 0.527 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 121.4 | 177.9 | -178.5 | 0 | 0 | 0 | 0 | 108.2 | R417 R423 | R417-V419 HydrophobicContact CG-CG2 4.14Å; V419-R423 WeakPolarHBondContact CA-O 3.38Å |
| 420 | A | 82.1 | Confident | 80.7 | Confident | 14 Ų | 14 | 78.9 Ų | 78.9 | 12% | 0.116 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 140.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 109 | D422 R423 F425 Y430 | A420-D422 PolarHBondContact O-N 2.79Å; A420-R423 PolarHBondContact N-O 3.2Å; A420-R423 WeakPolarHBondContact O-CA 3.39Å; A420-R423 WeakPolarHBondContact O-CB 3.49Å; A420-R423 PolarHBondContact O-N 3.25Å; A420-R423 VanDerWaalsContact O-O 3.11Å; A420-F425 HydrophobicContact CB-CE2 4.19Å; A420-Y430 HydrophobicContact CB-CE2 4.02Å |
| 421 | L | 79.6 | Confident | 81.7 | Confident | 74 Ų | 74 | 76.3 Ų | 76.3 | 39% | 0.387 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56 | 37.8 | 177.3 | -39.4 | 175 | 0 | 0 | 0 | 113 | R423 P450 I455 | L421-R423 PolarHBondContact O-N 2.76Å; L421-P450 HydrophobicContact CD1-CB 3.75Å; L421-P450 HydrophobicContact CD2-CB 3.58Å; L421-P450 HydrophobicContact CD2-CG 3.78Å; L421-P450 HydrophobicContact CG-CB 4.3Å; L421-I455 HydrophobicContact CD1-CD1 4.5Å; L421-I455 HydrophobicContact CD1-CG1 4.03Å |
| 422 | D | 82.1 | Confident | 82.6 | Confident | 172 Ų | 172 | 72.4 Ų | 72.4 | 92% | 0.92 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.9 | 8.3 | -171.2 | -58.4 | -45.2 | 0 | 0 | 0 | 115.8 | A420 | A420-D422 PolarHBondContact O-N 2.79Š|
| 423 | R | 86.1 | Confident | 83.2 | Confident | 100 Ų | 100 | 72.7 Ų | 72.7 | 38% | 0.377 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 151.8 | 174.7 | -64.4 | 169.3 | -174.2 | 176.5 | 5.9 | 110.1 | V419 A420 L421 F425 G453 | V419-R423 WeakPolarHBondContact CA-O 3.38Å; A420-R423 PolarHBondContact N-O 3.2Å; A420-R423 WeakPolarHBondContact O-CA 3.39Å; A420-R423 WeakPolarHBondContact O-CB 3.49Å; A420-R423 PolarHBondContact O-N 3.25Å; A420-R423 VanDerWaalsContact O-O 3.11Å; L421-R423 PolarHBondContact O-N 2.76Å; R423-F425 HydrophobicContact CB-CE2 3.6Å; R423-F425 HydrophobicContact CB-CZ 3.49Å; R423-F425 VanDerWaalsContact CB-CZ 3.49Å; R423-F425 HydrophobicContact CG-CZ 4.48Å; R423-F425 WeakPolarHBondContact O-CE2 3.47Å; R423-G453 PolarHBondContact NH1-O 3.25Å |
| 424 | S | 88.7 | Confident | 84.2 | Confident | 21 Ų | 21 | 68.3 Ų | 68.3 | 15% | 0.147 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 150.5 | 173.4 | -65.5 | 0 | 0 | 0 | 0 | 111.2 | C399 S400 I418 | C399-S424 VanDerWaalsContact CA-O 3.3Å; C399-S424 WeakPolarHBondContact CA-O 3.45Å; S400-S424 PolarHBondContact N-O 3.41Å; I418-S424 CarbonylContact O-C 3.57Å; I418-S424 WeakPolarHBondContact O-CA 3.33Å |
| 425 | F | 87.8 | Confident | 85 | Confident | 3 Ų | 3 | 64 Ų | 64 | 1% | 0.013 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 142.8 | -177.8 | -54 | -89.1 | 0 | 0 | 0 | 111.4 | V401 I418 A420 R423 Y430 I455 | V401-F425 HydrophobicContact CG2-CD1 3.91Å; V401-F425 HydrophobicContact CG2-CE1 3.96Å; I418-F425 HydrophobicContact CB-CB 4.43Å; I418-F425 PolarHBondContact N-O 3.17Å; I418-F425 VanDerWaalsContact N-O 3.07Å; I418-F425 PolarHBondContact O-N 3.19Å; A420-F425 HydrophobicContact CB-CE2 4.19Å; R423-F425 HydrophobicContact CB-CE2 3.6Å; R423-F425 HydrophobicContact CB-CZ 3.49Å; R423-F425 VanDerWaalsContact CB-CZ 3.49Å; R423-F425 HydrophobicContact CG-CZ 4.48Å; R423-F425 WeakPolarHBondContact O-CE2 3.47Å; F425-Y430 HydrophobicContact CB-CD2 4.49Å; F425-Y430 HydrophobicContact CD2-CD2 4.09Å; F425-Y430 HydrophobicContact CG-CD2 4.16Å; F425-I455 HydrophobicContact CD1-CD1 4.48Å; F425-I455 HydrophobicContact CE1-CD1 3.58Å; F425-I455 HydrophobicContact CE2-CD1 3.97Å; F425-I455 HydrophobicContact CZ-CD1 3.29Å |
| 426 | H | 88.1 | Confident | 85.5 | Confident | 50 Ų | 50 | 63.8 Ų | 63.8 | 23% | 0.231 | 35% | 0.35 | C | S | . | . | trans | -65.4 | 148.9 | 158.1 | -56.3 | 101 | 0 | 0 | 0 | 109.1 | C399 C402 A405 G428 C429 Y430 | C399-H426 VanDerWaalsContact CB-CE1 3.45Å; C399-H426 WeakPolarHBondContact CB-CE1 3.3Å; C399-H426 WeakPolarHBondContact CB-ND1 3.11Å; C402-H426 PolarHBondContact SG-CE1 2.92Å; C402-H426 PolarHBondContact SG-ND1 3Å; C402-H426 VanDerWaalsContact SG-ND1 3.41Å; A405-H426 PolarHBondContact O-NE2 2.87Å; H426-G428 PolarHBondContact O-N 2.91Å; H426-C429 HydrophobicContact CB-CB 4.11Å; H426-C429 WeakPolarHBondContact O-CA 3.48Å; H426-C429 WeakPolarHBondContact O-CB 3.44Å; H426-C429 PolarHBondContact O-N 2.77Å; H426-Y430 PolarHBondContact O-N 3.07Å | ||
| 427 | I | 85.3 | Confident | 85.6 | Confident | 98 Ų | 98 | 63.1 Ų | 63.1 | 50% | 0.503 | 34% | 0.343 | S | S | . | . | G | 310 helix | trans | -51.9 | -52.6 | -179.7 | -55.1 | 170.9 | 0 | 0 | 0 | 110.9 | V416 I418 C429 Y430 | V416-I427 HydrophobicContact CB-CD1 4.24Å; V416-I427 HydrophobicContact CG1-CD1 3.8Å; V416-I427 HydrophobicContact CG1-CG1 4.36Å; I418-I427 HydrophobicContact CD1-CG2 4.47Å; I427-C429 PolarHBondContact O-N 2.84Å; I427-Y430 PolarHBondContact O-N 3.25Å |
| 428 | G | 83.9 | Confident | 85.6 | Confident | 55 Ų | 55 | 62.4 Ų | 62.4 | 57% | 0.567 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -71.1 | -4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | H426 | H426-G428 PolarHBondContact O-N 2.91Š|
| 429 | C | 87 | Confident | 85.4 | Confident | 27 Ų | 27 | 61.7 Ų | 61.7 | 18% | 0.182 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | -100.9 | -13.8 | 174.4 | -72.1 | 0 | 0 | 0 | 0 | 113.1 | C399 V401 H426 I427 K431 | C399-C429 WeakPolarHBondContact SG-CB 3.47Å; V401-C429 HydrophobicContact CB-CB 4.23Å; H426-C429 HydrophobicContact CB-CB 4.11Å; H426-C429 WeakPolarHBondContact O-CA 3.48Å; H426-C429 WeakPolarHBondContact O-CB 3.44Å; H426-C429 PolarHBondContact O-N 2.77Å; I427-C429 PolarHBondContact O-N 2.84Å; C429-K431 PolarHBondContact O-N 3.21Å |
| 430 | Y | 87.5 | Confident | 85 | Confident | 9 Ų | 9 | 59.6 Ų | 59.6 | 4% | 0.035 | 33% | 0.332 | C | S | . | . | trans | -85.7 | 89.1 | 179.2 | -179.2 | -112.4 | 0 | 0 | 0 | 109.9 | I418 A420 F425 H426 I427 L439 C448 I455 | I418-Y430 HydrophobicContact CB-CD1 4.43Å; I418-Y430 HydrophobicContact CB-CG 4.27Å; I418-Y430 HydrophobicContact CD1-CD1 3.45Å; I418-Y430 VanDerWaalsContact CD1-CD1 3.45Å; I418-Y430 HydrophobicContact CD1-CE1 4.17Å; I418-Y430 HydrophobicContact CD1-CG 3.87Å; I418-Y430 HydrophobicContact CG1-CD1 4.49Å; I418-Y430 HydrophobicContact CG2-CD1 3.81Å; I418-Y430 HydrophobicContact CG2-CD2 3.87Å; I418-Y430 HydrophobicContact CG2-CE1 3.83Å; I418-Y430 HydrophobicContact CG2-CE2 3.9Å; I418-Y430 HydrophobicContact CG2-CG 3.8Å; A420-Y430 HydrophobicContact CB-CE2 4.02Å; F425-Y430 HydrophobicContact CB-CD2 4.49Å; F425-Y430 HydrophobicContact CD2-CD2 4.09Å; F425-Y430 HydrophobicContact CG-CD2 4.16Å; H426-Y430 PolarHBondContact O-N 3.07Å; I427-Y430 PolarHBondContact O-N 3.25Å; Y430-L439 HydrophobicContact CD1-CB 3.74Å; Y430-L439 WeakPolarHBondContact CD1-O 3.3Å; Y430-L439 HydrophobicContact CE1-CB 3.47Å; Y430-L439 VanDerWaalsContact CE1-CB 3.47Å; Y430-L439 WeakPolarHBondContact CE1-O 3.27Å; Y430-L439 PolarHBondContact O-N 3.42Å; Y430-C448 HydrophobicContact CE2-CB 4.27Å; Y430-C448 WeakPolarHBondContact OH-CB 3.45Å; Y430-C448 PolarHBondContact OH-SG 3.2Å; Y430-I455 HydrophobicContact CE2-CG2 4.43Å | ||
| 431 | K | 88.1 | Confident | 84.4 | Confident | 93 Ų | 93 | 62.8 Ų | 62.8 | 40% | 0.404 | 35% | 0.354 | S | S | . | . | B | Isolated β-bridge | trans | -143.6 | 159.3 | -174.6 | 63.2 | -172.9 | 179.7 | -178.2 | 0 | 111.1 | C429 E433 L437 L438 | C429-K431 PolarHBondContact O-N 3.21Å; K431-E433 PolarHBondContact O-N 3.31Å; K431-L437 CarbonylContact C-O 3.49Å; K431-L437 WeakPolarHBondContact CA-O 3.28Å; K431-L437 WeakPolarHBondContact CB-O 3.3Å; K431-L438 HydrophobicContact CB-CD2 4.28Å |
| 432 | C | 87.9 | Confident | 83.8 | Confident | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 38% | 0.377 | C | S | . | . | trans | -59 | 127.4 | 170 | -175.8 | 0 | 0 | 0 | 0 | 110.1 | E434 C435 G436 L437 I455 C457 C460 | C432-E434 VanDerWaalsContact C-N 3.28Å; C432-E434 PolarHBondContact O-N 3.07Å; C432-C435 VanDerWaalsContact CB-SG 3.56Å; C432-C435 PolarHBondContact SG-SG 3.43Å; C432-G436 WeakPolarHBondContact O-CA 3.33Å; C432-G436 PolarHBondContact O-N 3.36Å; C432-L437 HydrophobicContact CB-CB 4.36Å; C432-L437 PolarHBondContact N-O 3.03Å; C432-I455 WeakPolarHBondContact CA-O 3.34Å; C432-C457 HydrophobicContact CB-CB 4.07Å; C432-C457 PolarHBondContact SG-N 3.07Å; C432-C460 VanDerWaalsContact SG-SG 3.62Å | ||
| 433 | E | 85.4 | Confident | 82.6 | Confident | 104 Ų | 104 | 61.3 Ų | 61.3 | 49% | 0.486 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -29.2 | 179.5 | -71.2 | 173.7 | -133.1 | 0 | 0 | 112.8 | K431 H454 I455 | K431-E433 PolarHBondContact O-N 3.31Å; E433-H454 WeakPolarHBondContact OE1-CA 3.37Å; E433-H454 IonicContact OE2-CE1 3.54Å; E433-H454 IonicContact OE2-CG 3.26Å; E433-H454 IonicContact OE2-ND1 2.97Å; E433-H454 PolarHBondContact OE2-ND1 3.22Å; E433-I455 PolarHBondContact N-O 2.91Å; E433-I455 PolarHBondContact OE1-N 3.37Å |
| 434 | E | 84.1 | Confident | 81.3 | Confident | 88 Ų | 88 | 65.2 Ų | 65.2 | 41% | 0.411 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -36.1 | -172.9 | -167.7 | 174.8 | -110.1 | 0 | 0 | 113.2 | C432 L456 C460 | C432-E434 VanDerWaalsContact C-N 3.28Å; C432-E434 PolarHBondContact O-N 3.07Å; E434-L456 HydrophobicContact CB-CD2 3.92Å; E434-C460 HydrophobicContact CB-CB 4.39Å; E434-C460 WeakPolarHBondContact OE2-CB 3.21Å; E434-C460 PolarHBondContact OE2-SG 3.01Å |
| 435 | C | 87.5 | Confident | 79.6 | Confident | 69 Ų | 69 | 69.1 Ų | 69.1 | 47% | 0.466 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.6 | 2.1 | -179.5 | 73.5 | 0 | 0 | 0 | 0 | 115.3 | C432 L437 C457 | C432-C435 VanDerWaalsContact CB-SG 3.56Å; C432-C435 PolarHBondContact SG-SG 3.43Å; C435-L437 PolarHBondContact O-N 3.48Å; C435-C457 VanDerWaalsContact SG-SG 3.61Å |
| 436 | G | 83.8 | Confident | 78.6 | Confident | 42 Ų | 42 | 73.4 Ų | 73.4 | 43% | 0.433 | 42% | 0.416 | S | S | . | . | trans | 70.5 | -5 | 175 | 0 | 0 | 0 | 0 | 0 | 116.5 | C432 L438 | C432-G436 WeakPolarHBondContact O-CA 3.33Å; C432-G436 PolarHBondContact O-N 3.36Å; G436-L438 PolarHBondContact O-N 2.78Å | ||
| 437 | L | 85.7 | Confident | 77.8 | Confident | 87 Ų | 87 | 72.2 Ų | 72.2 | 46% | 0.455 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -57.5 | 122.7 | 179.7 | 179.4 | 65.8 | 0 | 0 | 0 | 111.4 | K431 C432 C435 L439 C457 | K431-L437 CarbonylContact C-O 3.49Å; K431-L437 WeakPolarHBondContact CA-O 3.28Å; K431-L437 WeakPolarHBondContact CB-O 3.3Å; C432-L437 HydrophobicContact CB-CB 4.36Å; C432-L437 PolarHBondContact N-O 3.03Å; C435-L437 PolarHBondContact O-N 3.48Å; L437-L439 PolarHBondContact O-N 2.96Å; L437-C457 HydrophobicContact CD2-CB 4.1Å |
| 438 | L | 85.1 | Confident | 77.5 | Confident | 95 Ų | 95 | 69.2 Ų | 69.2 | 50% | 0.497 | 40% | 0.404 | S | S | . | . | B | Isolated β-bridge | trans | -59.1 | 131.6 | 169.7 | -75.3 | 168.6 | 0 | 0 | 0 | 109.8 | K431 G436 | K431-L438 HydrophobicContact CB-CD2 4.28Å; G436-L438 PolarHBondContact O-N 2.78Å |
| 439 | L | 82.3 | Confident | 77.5 | Confident | 8 Ų | 8 | 70.8 Ų | 70.8 | 4% | 0.042 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -99.9 | 153.5 | 179.8 | -61 | 177 | 0 | 0 | 0 | 109.3 | Y430 L437 Q446 C448 I455 C457 | Y430-L439 HydrophobicContact CD1-CB 3.74Å; Y430-L439 WeakPolarHBondContact CD1-O 3.3Å; Y430-L439 HydrophobicContact CE1-CB 3.47Å; Y430-L439 VanDerWaalsContact CE1-CB 3.47Å; Y430-L439 WeakPolarHBondContact CE1-O 3.27Å; Y430-L439 PolarHBondContact O-N 3.42Å; L437-L439 PolarHBondContact O-N 2.96Å; L439-Q446 WeakPolarHBondContact CA-O 3.19Å; L439-C448 HydrophobicContact CD1-CB 3.78Å; L439-I455 HydrophobicContact CD1-CG2 3.48Å; L439-I455 VanDerWaalsContact CD1-CG2 3.48Å; L439-C457 HydrophobicContact CD2-CB 3.76Å |
| 440 | S | 77.8 | Confident | 77.1 | Confident | 42 Ų | 42 | 72.9 Ų | 72.9 | 29% | 0.294 | 41% | 0.407 | S | S | . | . | trans | -126.9 | 137.3 | -176.3 | -58 | 0 | 0 | 0 | 0 | 109.9 | E442 Q446 | S440-E442 VanDerWaalsContact C-N 3.28Å; S440-E442 PolarHBondContact O-N 3.46Å; S440-Q446 PolarHBondContact N-O 3.37Å; S440-Q446 CarbonylContact O-C 3.51Å; S440-Q446 PolarHBondContact OG-OE1 3.33Å | ||
| 441 | S | 68 | Low | 76.9 | Confident | 82 Ų | 82 | 74 Ų | 74 | 57% | 0.573 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -18.8 | 178.3 | 36.6 | 0 | 0 | 0 | 0 | 114.2 | ||
| 442 | E | 67.3 | Low | 76.4 | Confident | 186 Ų | 186 | 76 Ų | 76 | 87% | 0.869 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.4 | 25 | -162.6 | -67.3 | 170.3 | 94 | 0 | 0 | 113.9 | S440 | S440-E442 VanDerWaalsContact C-N 3.28Å; S440-E442 PolarHBondContact O-N 3.46Å |
| 443 | G | 57.6 | Low | 75.8 | Confident | 29 Ų | 29 | 77.5 Ų | 77.5 | 30% | 0.299 | 44% | 0.444 | S | S | . | . | trans | -138.1 | 126.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | C445 Q446 G447 | G443-C445 PolarHBondContact O-N 3.33Å; G443-Q446 PolarHBondContact O-N 2.83Å; G443-G447 PolarHBondContact O-N 3.34Å | ||
| 444 | E | 57.9 | Low | 75.5 | Confident | 181 Ų | 181 | 77.1 Ų | 77.1 | 85% | 0.846 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.8 | -26 | -179.4 | -106.5 | 86.5 | -179.2 | 0 | 0 | 115.8 | ||
| 445 | C | 54.6 | Low | 75.6 | Confident | 104 Ų | 104 | 73.1 Ų | 73.1 | 70% | 0.703 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.4 | 1.3 | -176.8 | -68.2 | 0 | 0 | 0 | 0 | 114.7 | G443 | G443-C445 PolarHBondContact O-N 3.33Š|
| 446 | Q | 65.6 | Low | 75.5 | Confident | 93 Ų | 93 | 70.2 Ų | 70.2 | 44% | 0.435 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.9 | 2.7 | -176.9 | -72.8 | -173 | -10.3 | 0 | 0 | 114.7 | L439 S440 G443 | L439-Q446 WeakPolarHBondContact CA-O 3.19Å; S440-Q446 PolarHBondContact N-O 3.37Å; S440-Q446 CarbonylContact O-C 3.51Å; S440-Q446 PolarHBondContact OG-OE1 3.33Å; G443-Q446 PolarHBondContact O-N 2.83Å |
| 447 | G | 70.8 | Confident | 75.7 | Confident | 25 Ų | 25 | 68.8 Ų | 68.8 | 26% | 0.258 | 39% | 0.386 | S | S | . | . | trans | -62.5 | 157.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | G443 Y449 | G443-G447 PolarHBondContact O-N 3.34Å; G447-Y449 WeakPolarHBondContact O-CD2 3.22Å | ||
| 448 | C | 80.1 | Confident | 75.7 | Confident | 34 Ų | 34 | 69.9 Ų | 69.9 | 23% | 0.23 | 39% | 0.388 | C | S | . | . | trans | -78.9 | 146.7 | 174.6 | 67.7 | 0 | 0 | 0 | 0 | 112.6 | Y430 L439 I455 | Y430-C448 HydrophobicContact CE2-CB 4.27Å; Y430-C448 WeakPolarHBondContact OH-CB 3.45Å; Y430-C448 PolarHBondContact OH-SG 3.2Å; L439-C448 HydrophobicContact CD1-CB 3.78Å; C448-I455 HydrophobicContact CB-CG2 4.08Å | ||
| 449 | Y | 83.3 | Confident | 75.8 | Confident | 88 Ų | 88 | 68.8 Ų | 68.8 | 35% | 0.345 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 105.8 | 171.7 | -71.2 | -94.3 | 0 | 0 | 0 | 108.4 | G447 L456 K458 S461 | G447-Y449 WeakPolarHBondContact O-CD2 3.22Å; Y449-L456 PolarHBondContact N-O 3.13Å; Y449-L456 PolarHBondContact O-N 3.02Å; Y449-K458 HydrophobicContact CD2-CB 3.93Å; Y449-K458 HydrophobicContact CD2-CG 4.43Å; Y449-K458 HydrophobicContact CE2-CB 3.53Å; Y449-K458 HydrophobicContact CE2-CD 4.21Å; Y449-K458 HydrophobicContact CE2-CG 3.77Å; Y449-S461 VanDerWaalsContact CB-CB 3.43Å; Y449-S461 VanDerWaalsContact CB-OG 3.3Å; Y449-S461 WeakPolarHBondContact CB-OG 3.45Å |
| 450 | P | 79.8 | Confident | 76.1 | Confident | 71 Ų | 71 | 69 Ų | 69 | 46% | 0.461 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 131.1 | -178.9 | 30.7 | -34.7 | 0 | 0 | 0 | 111.7 | L421 H454 | L421-P450 HydrophobicContact CD1-CB 3.75Å; L421-P450 HydrophobicContact CD2-CB 3.58Å; L421-P450 HydrophobicContact CD2-CG 3.78Å; L421-P450 HydrophobicContact CG-CB 4.3Å; P450-H454 WeakPolarHBondContact CA-O 3.19Å |
| 451 | L | 81.9 | Confident | 76.5 | Confident | 32 Ų | 32 | 67.3 Ų | 67.3 | 17% | 0.168 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 124.2 | 172.4 | -86.1 | 147.9 | 0 | 0 | 0 | 108.7 | G453 H454 L456 S461 R464 I465 | L451-G453 PolarHBondContact O-N 2.85Å; L451-H454 PolarHBondContact N-O 2.99Å; L451-H454 WeakPolarHBondContact O-CB 3.48Å; L451-H454 PolarHBondContact O-N 3.03Å; L451-L456 HydrophobicContact CB-CD1 4.3Å; L451-L456 HydrophobicContact CD1-CD1 4Å; L451-S461 VanDerWaalsContact CD1-CB 3.48Å; L451-R464 HydrophobicContact CD1-CB 4.3Å; L451-I465 HydrophobicContact CD1-CD1 4.07Å; L451-I465 HydrophobicContact CD1-CG1 3.94Å; L451-I465 HydrophobicContact CD2-CD1 4.21Å; L451-I465 HydrophobicContact CD2-CG1 3.76Å; L451-I465 HydrophobicContact CG-CG1 4.48Å |
| 452 | D | 77.8 | Confident | 77.4 | Confident | 136 Ų | 136 | 65.5 Ų | 65.5 | 73% | 0.727 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 24.2 | 177 | -53.1 | -40.6 | 0 | 0 | 0 | 115.9 | ||
| 453 | G | 75.2 | Confident | 78.3 | Confident | 32 Ų | 32 | 62.9 Ų | 62.9 | 33% | 0.33 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.5 | -0.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | R423 L451 | R423-G453 PolarHBondContact NH1-O 3.25Å; L451-G453 PolarHBondContact O-N 2.85Å |
| 454 | H | 80.3 | Confident | 79.6 | Confident | 95 Ų | 95 | 65.8 Ų | 65.8 | 44% | 0.44 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 151.4 | 171.1 | -62.9 | -80 | 0 | 0 | 0 | 112.1 | E433 P450 L451 | E433-H454 WeakPolarHBondContact OE1-CA 3.37Å; E433-H454 IonicContact OE2-CE1 3.54Å; E433-H454 IonicContact OE2-CG 3.26Å; E433-H454 IonicContact OE2-ND1 2.97Å; E433-H454 PolarHBondContact OE2-ND1 3.22Å; P450-H454 WeakPolarHBondContact CA-O 3.19Å; L451-H454 PolarHBondContact N-O 2.99Å; L451-H454 WeakPolarHBondContact O-CB 3.48Å; L451-H454 PolarHBondContact O-N 3.03Å |
| 455 | I | 84.6 | Confident | 81 | Confident | 5 Ų | 5 | 61.4 Ų | 61.4 | 3% | 0.026 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 109.2 | 176.9 | -66.6 | 177.5 | 0 | 0 | 0 | 109.2 | L421 F425 Y430 C432 E433 L439 C448 | L421-I455 HydrophobicContact CD1-CD1 4.5Å; L421-I455 HydrophobicContact CD1-CG1 4.03Å; F425-I455 HydrophobicContact CD1-CD1 4.48Å; F425-I455 HydrophobicContact CE1-CD1 3.58Å; F425-I455 HydrophobicContact CE2-CD1 3.97Å; F425-I455 HydrophobicContact CZ-CD1 3.29Å; Y430-I455 HydrophobicContact CE2-CG2 4.43Å; C432-I455 WeakPolarHBondContact CA-O 3.34Å; E433-I455 PolarHBondContact N-O 2.91Å; E433-I455 PolarHBondContact OE1-N 3.37Å; L439-I455 HydrophobicContact CD1-CG2 3.48Å; L439-I455 VanDerWaalsContact CD1-CG2 3.48Å; C448-I455 HydrophobicContact CB-CG2 4.08Å |
| 456 | L | 86 | Confident | 82.4 | Confident | 8 Ų | 8 | 62.5 Ų | 62.5 | 4% | 0.042 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 155.8 | -178.6 | -58.9 | -179.7 | 0 | 0 | 0 | 111.9 | E434 Y449 L451 C460 R464 | E434-L456 HydrophobicContact CB-CD2 3.92Å; Y449-L456 PolarHBondContact N-O 3.13Å; Y449-L456 PolarHBondContact O-N 3.02Å; L451-L456 HydrophobicContact CB-CD1 4.3Å; L451-L456 HydrophobicContact CD1-CD1 4Å; L456-C460 HydrophobicContact CB-CB 3.99Å; L456-C460 HydrophobicContact CD1-CB 4.48Å; L456-C460 HydrophobicContact CD2-CB 4.19Å; L456-C460 HydrophobicContact CG-CB 4.45Å; L456-R464 HydrophobicContact CD1-CB 4.11Å; L456-R464 HydrophobicContact CD1-CG 4.25Å |
| 457 | C | 88.3 | Confident | 83.2 | Confident | 11 Ų | 11 | 61.5 Ų | 61.5 | 7% | 0.074 | 33% | 0.328 | C | S | . | . | trans | -82.2 | 165.1 | 165.3 | 77.9 | 0 | 0 | 0 | 0 | 110.7 | C432 C435 L437 L439 A459 C460 S461 | C432-C457 HydrophobicContact CB-CB 4.07Å; C432-C457 PolarHBondContact SG-N 3.07Å; C435-C457 VanDerWaalsContact SG-SG 3.61Å; L437-C457 HydrophobicContact CD2-CB 4.1Å; L439-C457 HydrophobicContact CD2-CB 3.76Å; C457-A459 PolarHBondContact O-N 3.36Å; C457-C460 PolarHBondContact O-N 3.44Å; C457-C460 VanDerWaalsContact O-N 3.14Å; C457-S461 PolarHBondContact O-N 2.88Å; C457-S461 PolarHBondContact O-OG 3.38Å; C457-S461 VanDerWaalsContact O-OG 3.1Å | ||
| 458 | K | 86.4 | Confident | 83.6 | Confident | 111 Ų | 111 | 63.4 Ų | 63.4 | 48% | 0.483 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -50.8 | -34 | -177.1 | -166.3 | 172.5 | -178.1 | 173.7 | 0 | 115.2 | Y449 S461 A462 | Y449-K458 HydrophobicContact CD2-CB 3.93Å; Y449-K458 HydrophobicContact CD2-CG 4.43Å; Y449-K458 HydrophobicContact CE2-CB 3.53Å; Y449-K458 HydrophobicContact CE2-CD 4.21Å; Y449-K458 HydrophobicContact CE2-CG 3.77Å; K458-S461 WeakPolarHBondContact CA-OG 3.1Å; K458-S461 PolarHBondContact O-OG 3.07Å; K458-S461 VanDerWaalsContact O-OG 3.09Å; K458-A462 WeakPolarHBondContact O-CB 3.49Å; K458-A462 PolarHBondContact O-N 3.14Å |
| 459 | A | 86.6 | Confident | 83.6 | Confident | 71 Ų | 71 | 64.8 Ų | 64.8 | 59% | 0.587 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -77 | -51.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | C457 S461 A462 W463 | C457-A459 PolarHBondContact O-N 3.36Å; A459-S461 PolarHBondContact O-N 2.86Å; A459-A462 PolarHBondContact O-N 3.42Å; A459-W463 PolarHBondContact O-N 2.79Å |
| 460 | C | 87.6 | Confident | 83.2 | Confident | 14 Ų | 14 | 63.1 Ų | 63.1 | 10% | 0.095 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -57.3 | -45.3 | 175.5 | -72 | 0 | 0 | 0 | 0 | 111.9 | C432 E434 L456 C457 A462 W463 R464 | C432-C460 VanDerWaalsContact SG-SG 3.62Å; E434-C460 HydrophobicContact CB-CB 4.39Å; E434-C460 WeakPolarHBondContact OE2-CB 3.21Å; E434-C460 PolarHBondContact OE2-SG 3.01Å; L456-C460 HydrophobicContact CB-CB 3.99Å; L456-C460 HydrophobicContact CD1-CB 4.48Å; L456-C460 HydrophobicContact CD2-CB 4.19Å; L456-C460 HydrophobicContact CG-CB 4.45Å; C457-C460 PolarHBondContact O-N 3.44Å; C457-C460 VanDerWaalsContact O-N 3.14Å; C460-A462 PolarHBondContact O-N 3.33Å; C460-W463 PolarHBondContact O-N 2.97Å; C460-R464 VanDerWaalsContact O-CB 3.3Å; C460-R464 WeakPolarHBondContact O-CB 3.31Å; C460-R464 PolarHBondContact O-N 3.1Å |
| 461 | S | 86.9 | Confident | 82.5 | Confident | 6 Ų | 6 | 63.6 Ų | 63.6 | 4% | 0.042 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.4 | -41.6 | 177.2 | 57.9 | 0 | 0 | 0 | 0 | 112.9 | Y449 L451 C457 K458 A459 I465 | Y449-S461 VanDerWaalsContact CB-CB 3.43Å; Y449-S461 VanDerWaalsContact CB-OG 3.3Å; Y449-S461 WeakPolarHBondContact CB-OG 3.45Å; L451-S461 VanDerWaalsContact CD1-CB 3.48Å; C457-S461 PolarHBondContact O-N 2.88Å; C457-S461 PolarHBondContact O-OG 3.38Å; C457-S461 VanDerWaalsContact O-OG 3.1Å; K458-S461 WeakPolarHBondContact CA-OG 3.1Å; K458-S461 PolarHBondContact O-OG 3.07Å; K458-S461 VanDerWaalsContact O-OG 3.09Å; A459-S461 PolarHBondContact O-N 2.86Å; S461-I465 WeakPolarHBondContact O-CB 3.49Å; S461-I465 WeakPolarHBondContact O-CD1 3.29Å; S461-I465 VanDerWaalsContact O-CG1 3.22Å; S461-I465 WeakPolarHBondContact O-CG1 3.38Å; S461-I465 PolarHBondContact O-N 3.49Å |
| 462 | A | 87.2 | Confident | 81.6 | Confident | 43 Ų | 43 | 67.4 Ų | 67.4 | 36% | 0.355 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -66.2 | -41.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | K458 A459 C460 I465 Q466 | K458-A462 WeakPolarHBondContact O-CB 3.49Å; K458-A462 PolarHBondContact O-N 3.14Å; A459-A462 PolarHBondContact O-N 3.42Å; C460-A462 PolarHBondContact O-N 3.33Å; A462-I465 PolarHBondContact O-N 3.04Å; A462-Q466 VanDerWaalsContact O-CG 3.31Å; A462-Q466 WeakPolarHBondContact O-CG 3.36Å; A462-Q466 PolarHBondContact O-N 3.32Å; A462-Q466 VanDerWaalsContact O-N 3.1Å |
| 463 | W | 85.8 | Confident | 80.8 | Confident | 132 Ų | 132 | 66 Ų | 66 | 50% | 0.5 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64.9 | -45.5 | 176.1 | -173 | 79.2 | 0 | 0 | 0 | 111.9 | A459 C460 I465 Q466 E467 | A459-W463 PolarHBondContact O-N 2.79Å; C460-W463 PolarHBondContact O-N 2.97Å; W463-I465 VanDerWaalsContact C-N 3.34Å; W463-I465 PolarHBondContact O-N 3.3Å; W463-Q466 WeakPolarHBondContact O-CB 3.4Å; W463-Q466 PolarHBondContact O-N 2.71Å; W463-E467 VanDerWaalsContact CH2-OE1 3.28Å; W463-E467 WeakPolarHBondContact CH2-OE1 3.3Å; W463-E467 PolarHBondContact O-N 2.96Å |
| 464 | R | 85 | Confident | 80.1 | Confident | 89 Ų | 89 | 69.9 Ų | 69.9 | 34% | 0.336 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -58.6 | -42 | 176.5 | -158.3 | 79.3 | -171.6 | 146.6 | 12.4 | 112.5 | L451 L456 C460 Q466 E467 L468 | L451-R464 HydrophobicContact CD1-CB 4.3Å; L456-R464 HydrophobicContact CD1-CB 4.11Å; L456-R464 HydrophobicContact CD1-CG 4.25Å; C460-R464 VanDerWaalsContact O-CB 3.3Å; C460-R464 WeakPolarHBondContact O-CB 3.31Å; C460-R464 PolarHBondContact O-N 3.1Å; R464-Q466 VanDerWaalsContact C-N 3.34Å; R464-E467 IonicContact CZ-OE2 3.42Å; R464-E467 IonicContact NH1-OE2 2.78Å; R464-E467 PolarHBondContact NH1-OE2 3.09Å; R464-E467 IonicContact NH2-OE2 3.9Å; R464-E467 PolarHBondContact O-N 3.44Å; R464-L468 HydrophobicContact CG-CD1 4.31Å; R464-L468 WeakPolarHBondContact O-CB 3.4Å; R464-L468 VanDerWaalsContact O-CG 3.27Å; R464-L468 WeakPolarHBondContact O-CG 3.48Å; R464-L468 PolarHBondContact O-N 3.1Å |
| 465 | I | 86.3 | Confident | 78.7 | Confident | 89 Ų | 89 | 72.6 Ų | 72.6 | 46% | 0.456 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -65.3 | -37.4 | 175.4 | -70 | 164.2 | 0 | 0 | 0 | 111.3 | L451 S461 A462 W463 S469 | L451-I465 HydrophobicContact CD1-CD1 4.07Å; L451-I465 HydrophobicContact CD1-CG1 3.94Å; L451-I465 HydrophobicContact CD2-CD1 4.21Å; L451-I465 HydrophobicContact CD2-CG1 3.76Å; L451-I465 HydrophobicContact CG-CG1 4.48Å; S461-I465 WeakPolarHBondContact O-CB 3.49Å; S461-I465 WeakPolarHBondContact O-CD1 3.29Å; S461-I465 VanDerWaalsContact O-CG1 3.22Å; S461-I465 WeakPolarHBondContact O-CG1 3.38Å; S461-I465 PolarHBondContact O-N 3.49Å; A462-I465 PolarHBondContact O-N 3.04Å; W463-I465 VanDerWaalsContact C-N 3.34Å; W463-I465 PolarHBondContact O-N 3.3Å; I465-S469 WeakPolarHBondContact O-CB 3.48Å; I465-S469 PolarHBondContact O-N 3.44Å; I465-S469 PolarHBondContact O-OG 2.87Å |
| 466 | Q | 85.6 | Confident | 76.9 | Confident | 127 Ų | 127 | 81.2 Ų | 81.2 | 59% | 0.593 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -69.1 | -41.3 | 176.7 | -73 | 170.9 | 5.9 | 0 | 0 | 111.8 | A462 W463 R464 S469 A470 | A462-Q466 VanDerWaalsContact O-CG 3.31Å; A462-Q466 WeakPolarHBondContact O-CG 3.36Å; A462-Q466 PolarHBondContact O-N 3.32Å; A462-Q466 VanDerWaalsContact O-N 3.1Å; W463-Q466 WeakPolarHBondContact O-CB 3.4Å; W463-Q466 PolarHBondContact O-N 2.71Å; R464-Q466 VanDerWaalsContact C-N 3.34Å; Q466-S469 PolarHBondContact O-OG 3.14Å; Q466-A470 VanDerWaalsContact O-CB 3.29Å; Q466-A470 WeakPolarHBondContact O-CB 3.43Å; Q466-A470 PolarHBondContact O-N 3.06Å |
| 467 | E | 81.6 | Confident | 76.4 | Confident | 73 Ų | 73 | 84.9 Ų | 84.9 | 34% | 0.341 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.6 | -49.6 | 174.2 | -176.9 | 175.7 | -121.9 | 0 | 0 | 111.1 | W463 R464 S469 A470 T471 | W463-E467 VanDerWaalsContact CH2-OE1 3.28Å; W463-E467 WeakPolarHBondContact CH2-OE1 3.3Å; W463-E467 PolarHBondContact O-N 2.96Å; R464-E467 IonicContact CZ-OE2 3.42Å; R464-E467 IonicContact NH1-OE2 2.78Å; R464-E467 PolarHBondContact NH1-OE2 3.09Å; R464-E467 IonicContact NH2-OE2 3.9Å; R464-E467 PolarHBondContact O-N 3.44Å; E467-S469 PolarHBondContact O-N 3.24Å; E467-A470 PolarHBondContact O-N 3.33Å; E467-T471 PolarHBondContact O-N 3.43Å; E467-T471 VanDerWaalsContact O-N 3.07Å; E467-T471 PolarHBondContact O-OG1 2.87Å |
| 468 | L | 79.4 | Confident | 75.8 | Confident | 64 Ų | 64 | 88.7 Ų | 88.7 | 34% | 0.335 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.3 | -36.8 | 179.8 | -68.9 | 168.5 | 0 | 0 | 0 | 113.4 | R464 T471 V472 | R464-L468 HydrophobicContact CG-CD1 4.31Å; R464-L468 WeakPolarHBondContact O-CB 3.4Å; R464-L468 VanDerWaalsContact O-CG 3.27Å; R464-L468 WeakPolarHBondContact O-CG 3.48Å; R464-L468 PolarHBondContact O-N 3.1Å; L468-T471 PolarHBondContact O-OG1 3.43Å; L468-T471 VanDerWaalsContact O-OG1 3.07Å; L468-V472 VanDerWaalsContact O-CG2 3.3Å; L468-V472 WeakPolarHBondContact O-CG2 3.31Å; L468-V472 PolarHBondContact O-N 3.4Å |
| 469 | S | 79.6 | Confident | 75.2 | Confident | 64 Ų | 64 | 87.5 Ų | 87.5 | 45% | 0.448 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -76.7 | -28.4 | 176.9 | 51 | 0 | 0 | 0 | 0 | 113.3 | I465 Q466 E467 T473 | I465-S469 WeakPolarHBondContact O-CB 3.48Å; I465-S469 PolarHBondContact O-N 3.44Å; I465-S469 PolarHBondContact O-OG 2.87Å; Q466-S469 PolarHBondContact O-OG 3.14Å; E467-S469 PolarHBondContact O-N 3.24Å; S469-T473 WeakPolarHBondContact O-CG2 3.18Å; S469-T473 PolarHBondContact O-N 3.38Å; S469-T473 PolarHBondContact O-OG1 3.26Å |
| 470 | A | 75 | Confident | 74.6 | Confident | 53 Ų | 53 | 88.5 Ų | 88.5 | 44% | 0.438 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.6 | -40.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q466 E467 T473 T474 | Q466-A470 VanDerWaalsContact O-CB 3.29Å; Q466-A470 WeakPolarHBondContact O-CB 3.43Å; Q466-A470 PolarHBondContact O-N 3.06Å; E467-A470 PolarHBondContact O-N 3.33Å; A470-T473 PolarHBondContact O-N 2.72Å; A470-T473 PolarHBondContact O-OG1 2.95Å; A470-T473 VanDerWaalsContact O-OG1 3.13Å; A470-T474 PolarHBondContact O-OG1 3.37Å |
| 471 | T | 66 | Low | 73.7 | Confident | 81 Ų | 81 | 93.1 Ų | 93.1 | 50% | 0.497 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -70.8 | -35.7 | 178.4 | 51.6 | 0 | 0 | 0 | 0 | 112.9 | E467 L468 T473 T474 | E467-T471 PolarHBondContact O-N 3.43Å; E467-T471 VanDerWaalsContact O-N 3.07Å; E467-T471 PolarHBondContact O-OG1 2.87Å; L468-T471 PolarHBondContact O-OG1 3.43Å; L468-T471 VanDerWaalsContact O-OG1 3.07Å; T471-T473 VanDerWaalsContact C-N 3.26Å; T471-T473 PolarHBondContact O-N 2.94Å; T471-T474 PolarHBondContact O-N 3.22Å; T471-T474 PolarHBondContact O-OG1 2.58Å |
| 472 | V | 63.2 | Low | 72.9 | Confident | 111 Ų | 111 | 98.9 Ų | 98.9 | 67% | 0.673 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -67.8 | -21.7 | 175 | 169.9 | 0 | 0 | 0 | 0 | 113.1 | L468 | L468-V472 VanDerWaalsContact O-CG2 3.3Å; L468-V472 WeakPolarHBondContact O-CG2 3.31Å; L468-V472 PolarHBondContact O-N 3.4Å |
| 473 | T | 61.1 | Low | 71.8 | Confident | 107 Ų | 107 | 102.9 Ų | 102.9 | 66% | 0.656 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.2 | 5.5 | -179.7 | 45 | 0 | 0 | 0 | 0 | 114.4 | S469 A470 T471 | S469-T473 WeakPolarHBondContact O-CG2 3.18Å; S469-T473 PolarHBondContact O-N 3.38Å; S469-T473 PolarHBondContact O-OG1 3.26Å; A470-T473 PolarHBondContact O-N 2.72Å; A470-T473 PolarHBondContact O-OG1 2.95Å; A470-T473 VanDerWaalsContact O-OG1 3.13Å; T471-T473 VanDerWaalsContact C-N 3.26Å; T471-T473 PolarHBondContact O-N 2.94Å |
| 474 | T | 59 | Low | 70.8 | Confident | 114 Ų | 114 | 100.7 Ų | 100.7 | 70% | 0.699 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -115.3 | 7.3 | -177.9 | 45.4 | 0 | 0 | 0 | 0 | 115.6 | A470 T471 | A470-T474 PolarHBondContact O-OG1 3.37Å; T471-T474 PolarHBondContact O-N 3.22Å; T471-T474 PolarHBondContact O-OG1 2.58Å |
| 475 | D | 51.5 | Low | 69.6 | Low | 152 Ų | 152 | 101.7 Ų | 101.7 | 81% | 0.813 | 60% | 0.6 | S | S | * | * | trans | -114.1 | 38.3 | -178.2 | -156.5 | -132.4 | 0 | 0 | 0 | 112.2 | ||||
| 476 | C | 46.6 | Very low | 68.1 | Low | 185 Ų | 185 | 102.8 Ų | 102.8 | 100% | 1.25 | 61% | 0.613 | S | S | * | * | trans | -128.6 | 0 | -174.2 | -69.3 | 0 | 0 | 0 | 0 | 112.5 |
Retrieved 476 of 476 residues in 60.7 ms
(Link to these results)