| 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 | 33.5 | Very low | 36.3 | Very low | 235 Ų | 235 | 153.4 Ų | 153.4 | 100% | 1.158 | 78% | 0.783 | S | S | * | * | 0 | 135.9 | 0 | -87.5 | 161.5 | 160.9 | 0 | 0 | 108.5 | |||||
| 2 | I | 35 | Very low | 35.7 | Very low | 144 Ų | 144 | 155.5 Ų | 155.5 | 74% | 0.738 | 78% | 0.783 | S | S | * | * | trans | 60.1 | 86.6 | 154 | -56.8 | 172 | 0 | 0 | 0 | 114.6 | ||||
| 3 | H | 38.5 | Very low | 35.4 | Very low | 148 Ų | 148 | 155.3 Ų | 155.3 | 69% | 0.685 | 78% | 0.777 | S | S | * | * | 92.7 | 150.2 | 100.9 | -82.6 | -24.8 | 0 | 0 | 0 | 113 | |||||
| 4 | K | 38.7 | Very low | 35.3 | Very low | 151 Ų | 151 | 152.2 Ų | 152.2 | 66% | 0.657 | 77% | 0.771 | S | S | * | * | cis | -160.9 | 142 | 9.6 | -127.6 | 155.1 | -174.5 | 176.3 | 0 | 110.7 | ||||
| 5 | H | 36.6 | Very low | 34.9 | Very low | 153 Ų | 153 | 152.6 Ų | 152.6 | 71% | 0.708 | 78% | 0.776 | S | S | * | * | trans | 53.4 | 152.9 | 132.9 | -81.6 | -112.7 | 0 | 0 | 0 | 122.6 | ||||
| 6 | T | 34.6 | Very low | 34.6 | Very low | 119 Ų | 119 | 148.4 Ų | 148.4 | 73% | 0.73 | 77% | 0.772 | S | S | * | * | cis | -167.8 | 148.2 | -25.9 | 16.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 7 | S | 31.8 | Very low | 34.3 | Very low | 110 Ų | 110 | 145.9 Ų | 145.9 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | trans | -102.4 | -172.1 | 166 | -139.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 8 | P | 56.5 | Low | 34.3 | Very low | 111 Ų | 111 | 142.9 Ų | 142.9 | 72% | 0.721 | 78% | 0.776 | S | S | * | * | cis | -135.6 | -171.9 | -22.1 | 33.1 | -11 | 0 | 0 | 0 | 114.2 | ||||
| 9 | F | 31.3 | Very low | 35.2 | Very low | 202 Ų | 202 | 141.2 Ų | 141.2 | 89% | 0.886 | 77% | 0.773 | S | S | * | * | trans | 6.6 | 130.7 | 151.7 | -97.5 | -108.5 | 0 | 0 | 0 | 122.2 | ||||
| 10 | L | 31 | Very low | 34.9 | Very low | 160 Ų | 160 | 139.5 Ų | 139.5 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | trans | -173.6 | 177.4 | 144.6 | -129.4 | 57.4 | 0 | 0 | 0 | 112.1 | ||||
| 11 | Q | 32.1 | Very low | 34.6 | Very low | 154 Ų | 154 | 140.6 Ų | 140.6 | 72% | 0.72 | 77% | 0.768 | S | S | * | * | -155.2 | 124.2 | -81.9 | -172.6 | 177.7 | -13.2 | 0 | 0 | 114.2 | |||||
| 12 | F | 29.1 | Very low | 34.5 | Very low | 179 Ų | 179 | 138 Ų | 138 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | trans | 60.3 | 148.1 | 158.7 | -87.3 | -108.4 | 0 | 0 | 0 | 124.5 | ||||
| 13 | H | 31.8 | Very low | 34.4 | Very low | 153 Ų | 153 | 136.6 Ų | 136.6 | 71% | 0.708 | 74% | 0.744 | S | S | * | * | trans | 100.4 | 127.5 | 136.9 | -104 | -63 | 0 | 0 | 0 | 125.4 | ||||
| 14 | T | 33 | Very low | 34.1 | Very low | 112 Ų | 112 | 136.4 Ų | 136.4 | 69% | 0.687 | 75% | 0.747 | S | S | * | * | trans | 87.5 | 139.5 | 148.4 | 62.7 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 15 | N | 29.5 | Very low | 33.9 | Very low | 158 Ų | 158 | 135.5 Ų | 135.5 | 85% | 0.845 | 75% | 0.749 | S | S | * | * | trans | 100.2 | 144 | 167.8 | -63.1 | -45.2 | 0 | 0 | 0 | 117.2 | ||||
| 16 | A | 30.8 | Very low | 33.6 | Very low | 86 Ų | 86 | 135.8 Ų | 135.8 | 71% | 0.711 | 75% | 0.748 | S | S | * | * | cis | -170.8 | 159.6 | -26.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 17 | A | 29.8 | Very low | 33.3 | Very low | 105 Ų | 105 | 138.6 Ų | 138.6 | 87% | 0.868 | 75% | 0.751 | S | S | * | * | trans | 65.6 | 122 | 160.3 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 18 | A | 33.9 | Very low | 33.4 | Very low | 92 Ų | 92 | 140.3 Ų | 140.3 | 76% | 0.76 | 75% | 0.75 | S | S | * | * | trans | -93.7 | -174.7 | 140.7 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 19 | P | 51.4 | Low | 32.7 | Very low | 110 Ų | 110 | 140.6 Ų | 140.6 | 71% | 0.714 | 75% | 0.753 | S | S | * | * | cis | -143.3 | -160.2 | 7.2 | 32.4 | -5.7 | 0 | 0 | 0 | 114.8 | ||||
| 20 | C | 29.6 | Very low | 32.7 | Very low | 107 Ų | 107 | 136.8 Ų | 136.8 | 72% | 0.723 | 75% | 0.746 | S | S | * | * | trans | 76.8 | 149.5 | 155.2 | -61.2 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 21 | F | 28.7 | Very low | 32.6 | Very low | 163 Ų | 163 | 135 Ų | 135 | 72% | 0.715 | 74% | 0.741 | S | S | * | * | cis | -165.6 | 177.5 | -17.2 | -133.4 | -100 | 0 | 0 | 0 | 109.3 | L23 | F21-L23 HydrophobicContact CE1-CD1 4.34Š| ||
| 22 | F | 30.7 | Very low | 32.5 | Very low | 180 Ų | 180 | 133 Ų | 133 | 79% | 0.789 | 74% | 0.739 | S | S | * | * | trans | 77.5 | 115.4 | 175 | -74.5 | -89.4 | 0 | 0 | 0 | 117.8 | ||||
| 23 | L | 33.3 | Very low | 32.4 | Very low | 115 Ų | 115 | 133.1 Ų | 133.1 | 60% | 0.602 | 74% | 0.742 | S | S | * | * | cis | 90.8 | 112.4 | 31.2 | -80.6 | 161.5 | 0 | 0 | 0 | 117 | F21 L25 | F21-L23 HydrophobicContact CE1-CD1 4.34Å; L23-L25 HydrophobicContact CD2-CD1 4.37Å | ||
| 24 | L | 31.2 | Very low | 32.2 | Very low | 144 Ų | 144 | 130.8 Ų | 130.8 | 75% | 0.754 | 74% | 0.743 | S | S | * | * | 163.7 | 103 | 128.2 | -88.3 | 154.4 | 0 | 0 | 0 | 107.7 | F26 | L24-F26 HydrophobicContact CD2-CD2 4.48Š| |||
| 25 | L | 34.7 | Very low | 32 | Very low | 133 Ų | 133 | 130 Ų | 130 | 70% | 0.696 | 75% | 0.748 | S | S | * | * | 45.5 | 122.1 | 79.1 | -69.1 | 172.1 | 0 | 0 | 0 | 114.4 | L23 | L23-L25 HydrophobicContact CD2-CD1 4.37Š| |||
| 26 | F | 29.9 | Very low | 32 | Very low | 158 Ų | 158 | 125.9 Ų | 125.9 | 69% | 0.693 | 74% | 0.743 | S | S | * | * | 175.8 | 120.9 | 106.4 | -106.5 | -102.7 | 0 | 0 | 0 | 113.3 | L24 | L24-F26 HydrophobicContact CD2-CD2 4.48Š| |||
| 27 | F | 29.5 | Very low | 31.8 | Very low | 179 Ų | 179 | 130.2 Ų | 130.2 | 79% | 0.785 | 75% | 0.748 | S | S | * | * | trans | 70.9 | 131.3 | 141 | -82.7 | -120.5 | 0 | 0 | 0 | 124.8 | ||||
| 28 | L | 33.6 | Very low | 31.8 | Very low | 145 Ų | 145 | 130.6 Ų | 130.6 | 76% | 0.759 | 74% | 0.74 | S | S | * | * | trans | -79.1 | 158.9 | 149.8 | -77.7 | 97.1 | 0 | 0 | 0 | 111.3 | ||||
| 29 | P | 42.4 | Very low | 31.5 | Very low | 118 Ų | 118 | 137.3 Ų | 137.3 | 77% | 0.766 | 75% | 0.745 | S | S | * | * | -128.3 | 147.6 | 110.6 | 6.5 | 15.7 | 0 | 0 | 0 | 111.6 | |||||
| 30 | V | 30.4 | Very low | 30.4 | Very low | 122 Ų | 122 | 138.2 Ų | 138.2 | 74% | 0.739 | 75% | 0.749 | S | S | * | * | 84.2 | 127.3 | 52 | 174.5 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 31 | V | 29.2 | Very low | 30.4 | Very low | 121 Ų | 121 | 140.2 Ų | 140.2 | 73% | 0.733 | 75% | 0.751 | S | S | * | * | trans | 90.4 | 100.9 | 155.7 | 154.7 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 32 | T | 28.8 | Very low | 31.2 | Very low | 113 Ų | 113 | 138.5 Ų | 138.5 | 69% | 0.693 | 76% | 0.757 | S | S | * | * | 37.5 | 142.2 | 129.6 | 74.9 | 0 | 0 | 0 | 0 | 125.7 | |||||
| 33 | H | 28.7 | Very low | 31.2 | Very low | 182 Ų | 182 | 136.5 Ų | 136.5 | 84% | 0.843 | 76% | 0.76 | S | S | * | * | trans | 81 | 127.9 | 133.7 | -103.9 | -106.7 | 0 | 0 | 0 | 123.2 | ||||
| 34 | S | 27.2 | Very low | 30.9 | Very low | 104 Ų | 104 | 134.7 Ų | 134.7 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | 98.9 | 114.2 | 128.7 | -156.7 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 35 | A | 29.4 | Very low | 30.8 | Very low | 96 Ų | 96 | 135.4 Ų | 135.4 | 79% | 0.793 | 77% | 0.772 | S | S | * | * | trans | 54.2 | 137 | 133.3 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 36 | G | 27.8 | Very low | 30.4 | Very low | 71 Ų | 71 | 139.8 Ų | 139.8 | 73% | 0.732 | 78% | 0.779 | S | S | * | * | 120.8 | 132.5 | 112.9 | 0 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 37 | E | 27.9 | Very low | 30.4 | Very low | 177 Ų | 177 | 139 Ų | 139 | 83% | 0.827 | 78% | 0.782 | S | S | * | * | trans | 69.1 | 99.5 | 147.8 | -74.1 | -176.5 | 88 | 0 | 0 | 123.1 | ||||
| 38 | T | 29.4 | Very low | 30.3 | Very low | 112 Ų | 112 | 138.7 Ų | 138.7 | 69% | 0.687 | 78% | 0.782 | S | S | * | * | 37.5 | 133.4 | 113.3 | 63.1 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 39 | R | 27.3 | Very low | 30.3 | Very low | 233 Ų | 233 | 143.2 Ų | 143.2 | 88% | 0.879 | 79% | 0.789 | S | S | * | * | trans | 164 | 154.1 | 130.9 | -92.2 | 166.2 | -173.2 | -156 | 5.2 | 109.5 | ||||
| 40 | V | 28.6 | Very low | 29.8 | Very low | 130 Ų | 130 | 146.5 Ų | 146.5 | 79% | 0.788 | 79% | 0.792 | S | S | * | * | cis | -160.1 | 165 | -19.1 | 120.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 41 | L | 30.2 | Very low | 29.7 | Very low | 148 Ų | 148 | 149.2 Ų | 149.2 | 78% | 0.775 | 79% | 0.793 | S | S | * | * | trans | -50.8 | 172.4 | 177.2 | -63.5 | 163.9 | 0 | 0 | 0 | 116.6 | ||||
| 42 | P | 44.3 | Very low | 29.7 | Very low | 128 Ų | 128 | 147.7 Ų | 147.7 | 83% | 0.831 | 78% | 0.781 | S | S | * | * | -125 | 153 | 114.9 | 36.6 | -32.5 | 0 | 0 | 0 | 116.5 | |||||
| 43 | T | 30.8 | Very low | 30 | Very low | 138 Ų | 138 | 150 Ų | 150 | 85% | 0.847 | 78% | 0.782 | S | S | * | * | trans | -63 | 153.4 | -172.7 | 48.3 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 44 | G | 27.3 | Very low | 29.9 | Very low | 76 Ų | 76 | 147.6 Ų | 147.6 | 78% | 0.784 | 78% | 0.775 | S | S | * | * | trans | -162.1 | 119.2 | 162.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 45 | L | 29 | Very low | 30 | Very low | 160 Ų | 160 | 147.8 Ų | 147.8 | 84% | 0.838 | 77% | 0.772 | S | S | * | * | trans | -52.8 | 166.3 | 179 | -62 | 137.1 | 0 | 0 | 0 | 115.4 | ||||
| 46 | R | 26 | Very low | 30 | Very low | 225 Ų | 225 | 148.9 Ų | 148.9 | 85% | 0.849 | 77% | 0.769 | S | S | * | * | cis | -164 | 161.9 | 21.2 | -149.9 | 171.2 | -170.3 | 151.3 | 2.6 | 113.4 | ||||
| 47 | L | 29.9 | Very low | 30 | Very low | 142 Ų | 142 | 153.6 Ų | 153.6 | 74% | 0.743 | 77% | 0.774 | S | S | * | * | trans | -66.6 | 158.1 | 176.1 | -65.6 | 68.2 | 0 | 0 | 0 | 115.7 | ||||
| 48 | H | 27.1 | Very low | 30.1 | Very low | 172 Ų | 172 | 149.7 Ų | 149.7 | 80% | 0.796 | 77% | 0.766 | S | S | * | * | -170.1 | 149.9 | 99.8 | -111.5 | 1.4 | 0 | 0 | 0 | 118 | |||||
| 49 | R | 33.9 | Very low | 30.3 | Very low | 240 Ų | 240 | 153.4 Ų | 153.4 | 91% | 0.906 | 77% | 0.773 | S | S | * | * | trans | -140.1 | 130.6 | 176.4 | -172.7 | -171.2 | -168.4 | -160.7 | 6.4 | 108.6 | ||||
| 50 | K | 31.5 | Very low | 30.4 | Very low | 187 Ų | 187 | 151.1 Ų | 151.1 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | trans | -174.1 | 135 | 169.1 | -111.9 | 167.4 | -177.2 | 172.5 | 0 | 106.7 | ||||
| 51 | K | 28.5 | Very low | 30.4 | Very low | 178 Ų | 178 | 152.3 Ų | 152.3 | 77% | 0.774 | 77% | 0.769 | S | S | * | * | -157.2 | 171.2 | 50.1 | -90 | 178.3 | 152.6 | -172.7 | 0 | 108.8 | |||||
| 52 | D | 29.8 | Very low | 30.1 | Very low | 90 Ų | 90 | 150.8 Ų | 150.8 | 48% | 0.481 | 77% | 0.771 | S | S | . | * | cis | -158.6 | 144.9 | -4.9 | -113.8 | -35.8 | 0 | 0 | 0 | 108 | ||||
| 53 | K | 34.8 | Very low | 29.3 | Very low | 162 Ų | 162 | 153.2 Ų | 153.2 | 70% | 0.704 | 77% | 0.772 | S | S | * | * | trans | 51.3 | 145.5 | 138.5 | -64.3 | 165 | -171.7 | 131.7 | 0 | 120.6 | ||||
| 54 | N | 26.9 | Very low | 29 | Very low | 131 Ų | 131 | 152.4 Ų | 152.4 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | cis | -163.7 | 144.8 | 26.6 | -121.7 | 9.5 | 0 | 0 | 0 | 109.1 | ||||
| 55 | T | 29.6 | Very low | 28.9 | Very low | 108 Ų | 108 | 153.8 Ų | 153.8 | 66% | 0.663 | 77% | 0.768 | S | S | * | * | 68.6 | 123.2 | 106 | -54.9 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 56 | T | 28.3 | Very low | 28.8 | Very low | 119 Ų | 119 | 152 Ų | 152 | 73% | 0.73 | 76% | 0.763 | S | S | * | * | cis | -168.5 | 149.6 | 18.6 | 15.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 57 | M | 29.4 | Very low | 28.9 | Very low | 170 Ų | 170 | 150 Ų | 150 | 84% | 0.837 | 76% | 0.76 | S | S | * | * | trans | 53.6 | 136.3 | 135.3 | -67.3 | -71.6 | -163.9 | 0 | 0 | 126 | ||||
| 58 | S | 28.9 | Very low | 28.8 | Very low | 94 Ų | 94 | 149.4 Ų | 149.4 | 66% | 0.657 | 76% | 0.758 | S | S | * | * | trans | 100.5 | 103.5 | 132.6 | -75.9 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 59 | K | 33.2 | Very low | 28.7 | Very low | 191 Ų | 191 | 150.3 Ų | 150.3 | 83% | 0.83 | 76% | 0.763 | S | S | * | * | 60.8 | 132.4 | 120.8 | -71.4 | 177.4 | 176.9 | 172.1 | 0 | 123.5 | |||||
| 60 | K | 29.9 | Very low | 28.7 | Very low | 184 Ų | 184 | 143.8 Ų | 143.8 | 80% | 0.8 | 75% | 0.754 | S | S | * | * | trans | 82 | 112.8 | 142 | -87.5 | -168.2 | 169.3 | -171.4 | 0 | 121.5 | ||||
| 61 | I | 28.6 | Very low | 28.4 | Very low | 155 Ų | 155 | 143.6 Ų | 143.6 | 80% | 0.795 | 76% | 0.756 | S | S | * | * | 34.3 | 115.9 | 116.8 | -51 | 168.5 | 0 | 0 | 0 | 117.7 | |||||
| 62 | S | 25.3 | Very low | 28.4 | Very low | 117 Ų | 117 | 142.2 Ų | 142.2 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | -175.8 | 179.7 | 116.6 | -154.3 | 0 | 0 | 0 | 0 | 113 | |||||
| 63 | Q | 27.1 | Very low | 28.1 | Very low | 179 Ų | 179 | 145 Ų | 145 | 84% | 0.836 | 77% | 0.767 | S | S | * | * | trans | -89.2 | 151.4 | -165.9 | -63.6 | 175.7 | -27.3 | 0 | 0 | 116.5 | ||||
| 64 | C | 24.2 | Very low | 27.9 | Very low | 120 Ų | 120 | 145.4 Ų | 145.4 | 81% | 0.811 | 77% | 0.771 | S | S | * | * | 41.4 | 128.1 | 127.1 | -146.7 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 65 | S | 25.3 | Very low | 29.2 | Very low | 105 Ų | 105 | 144 Ų | 144 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | 110 | 148.3 | 127.3 | -143.2 | 0 | 0 | 0 | 0 | 122 | |||||
| 66 | V | 26.3 | Very low | 30.1 | Very low | 124 Ų | 124 | 144.4 Ų | 144.4 | 75% | 0.752 | 77% | 0.774 | S | S | * | * | trans | 81.4 | 104.3 | 158.2 | -164.7 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 67 | K | 28.8 | Very low | 30.1 | Very low | 181 Ų | 181 | 143 Ų | 143 | 79% | 0.787 | 77% | 0.769 | S | S | * | * | trans | 36.8 | 137.2 | 134 | -72.5 | 179 | 172.3 | 178.5 | 0 | 125.6 | ||||
| 68 | D | 27.8 | Very low | 30.1 | Very low | 130 Ų | 130 | 143.6 Ų | 143.6 | 70% | 0.695 | 77% | 0.77 | S | S | * | * | trans | 54.6 | 116.3 | 138.6 | -67.1 | -52.5 | 0 | 0 | 0 | 122 | ||||
| 69 | Q | 24.5 | Very low | 30 | Very low | 192 Ų | 192 | 143.2 Ų | 143.2 | 90% | 0.897 | 77% | 0.767 | S | S | * | * | -166.7 | 164.9 | 108.2 | -107.2 | 158 | 101.9 | 0 | 0 | 115.4 | |||||
| 70 | S | 33 | Very low | 29.9 | Very low | 103 Ų | 103 | 142 Ų | 142 | 72% | 0.72 | 76% | 0.764 | S | S | * | * | trans | -90.5 | 166.2 | -174.7 | 53.2 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 71 | E | 25.5 | Very low | 29.8 | Very low | 182 Ų | 182 | 139.6 Ų | 139.6 | 85% | 0.85 | 76% | 0.759 | S | S | * | * | trans | 176.9 | 158.4 | 145.6 | -99.9 | -176 | 131.7 | 0 | 0 | 108.4 | ||||
| 72 | H | 28.2 | Very low | 29.7 | Very low | 149 Ų | 149 | 138.1 Ų | 138.1 | 69% | 0.69 | 75% | 0.753 | S | S | * | * | cis | -164.3 | 150.4 | -27.5 | -156.9 | -85.8 | 0 | 0 | 0 | 107.6 | ||||
| 73 | D | 25.3 | Very low | 29.9 | Very low | 148 Ų | 148 | 140.2 Ų | 140.2 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | trans | 151.7 | 136.1 | 135.4 | -81.9 | -23.1 | 0 | 0 | 0 | 118.3 | ||||
| 74 | Q | 29.9 | Very low | 29.8 | Very low | 172 Ų | 172 | 138.8 Ų | 138.8 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | trans | -161.7 | -160.3 | -176.3 | -128.1 | -162.9 | 16.6 | 0 | 0 | 106.5 | ||||
| 75 | P | 53.2 | Low | 29.9 | Very low | 102 Ų | 102 | 140.5 Ų | 140.5 | 66% | 0.662 | 76% | 0.755 | S | S | * | * | cis | -101.9 | -99 | -3.4 | 31 | -10.6 | 0 | 0 | 0 | 111 | ||||
| 76 | P | 49.9 | Very low | 30.1 | Very low | 115 Ų | 115 | 144.2 Ų | 144.2 | 75% | 0.747 | 77% | 0.765 | S | S | * | * | cis | -112.6 | 173.9 | -21.2 | 41.2 | -28.1 | 0 | 0 | 0 | 113.1 | ||||
| 77 | S | 28.4 | Very low | 30 | Very low | 90 Ų | 90 | 141.7 Ų | 141.7 | 63% | 0.629 | 76% | 0.764 | S | S | * | * | cis | -162.1 | 134.6 | -20 | 45 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 78 | Q | 28.3 | Very low | 29.9 | Very low | 183 Ų | 183 | 138.5 Ų | 138.5 | 86% | 0.855 | 76% | 0.764 | S | S | * | * | trans | 63.6 | 152.8 | 138.6 | -67.8 | 177.6 | -23.7 | 0 | 0 | 122.9 | ||||
| 79 | S | 28.3 | Very low | 29.8 | Very low | 85 Ų | 85 | 140.4 Ų | 140.4 | 59% | 0.594 | 77% | 0.765 | S | S | * | * | cis | -178.6 | 171.5 | -24.9 | 59.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 80 | Q | 30.1 | Very low | 29.9 | Very low | 166 Ų | 166 | 139.9 Ų | 139.9 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | trans | 74.7 | 152.8 | 148.1 | -81.8 | -175.5 | -3.4 | 0 | 0 | 119.8 | ||||
| 81 | L | 28.4 | Very low | 29.6 | Very low | 134 Ų | 134 | 143.3 Ų | 143.3 | 70% | 0.702 | 76% | 0.762 | S | S | * | * | cis | -150.6 | 142 | 0.6 | -96.2 | 142.8 | 0 | 0 | 0 | 106.5 | ||||
| 82 | D | 26.8 | Very low | 29.7 | Very low | 123 Ų | 123 | 140.3 Ų | 140.3 | 66% | 0.658 | 76% | 0.757 | S | S | * | * | 106.4 | 167.9 | 71.2 | -154.7 | 5.6 | 0 | 0 | 0 | 113.6 | |||||
| 83 | Q | 28.6 | Very low | 29.7 | Very low | 161 Ų | 161 | 141.5 Ų | 141.5 | 75% | 0.752 | 76% | 0.762 | S | S | * | * | trans | -87 | 162.1 | -152.6 | -61.9 | 154.7 | 72 | 0 | 0 | 117.4 | ||||
| 84 | T | 25.3 | Very low | 30.6 | Very low | 149 Ų | 149 | 140.3 Ų | 140.3 | 91% | 0.914 | 76% | 0.763 | S | S | * | * | 179.6 | 166.1 | 119.8 | 28.5 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 85 | N | 26.6 | Very low | 30.5 | Very low | 157 Ų | 157 | 135.3 Ų | 135.3 | 84% | 0.84 | 76% | 0.757 | S | S | * | * | trans | -64.6 | 154.2 | -173.1 | -80.6 | -80 | 0 | 0 | 0 | 117.5 | ||||
| 86 | L | 28.8 | Very low | 29.5 | Very low | 183 Ų | 183 | 139 Ų | 139 | 96% | 0.958 | 77% | 0.766 | S | S | * | * | -167.8 | 153.7 | 125.9 | -100.8 | 167.1 | 0 | 0 | 0 | 109.3 | |||||
| 87 | G | 25.1 | Very low | 28.6 | Very low | 70 Ų | 70 | 143.3 Ų | 143.3 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | trans | -149 | -155.9 | -170 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 88 | C | 25 | Very low | 28.7 | Very low | 115 Ų | 115 | 146.1 Ų | 146.1 | 78% | 0.777 | 78% | 0.775 | S | S | * | * | trans | 83.3 | 106.4 | 169.3 | -141.8 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 89 | K | 26.1 | Very low | 28.7 | Very low | 169 Ų | 169 | 140.3 Ų | 140.3 | 74% | 0.735 | 76% | 0.764 | S | S | * | * | 159 | 125.9 | 105 | -85.4 | 168.7 | -171.7 | 164.6 | 0 | 114.1 | |||||
| 90 | K | 27.7 | Very low | 28.6 | Very low | 181 Ų | 181 | 145.4 Ų | 145.4 | 79% | 0.787 | 78% | 0.778 | S | S | * | * | trans | 60 | 150.7 | 131.8 | -61.2 | -177.5 | -178.2 | -177.8 | 0 | 118.3 | ||||
| 91 | K | 26.6 | Very low | 28.7 | Very low | 175 Ų | 175 | 143 Ų | 143 | 76% | 0.761 | 78% | 0.775 | S | S | * | * | cis | -164.6 | 148 | -1.2 | -121.9 | -171.3 | 172.4 | -166.7 | 0 | 108.8 | ||||
| 92 | T | 27 | Very low | 28.7 | Very low | 120 Ų | 120 | 143 Ų | 143 | 74% | 0.736 | 78% | 0.781 | S | S | * | * | trans | 36 | 134.2 | 141 | -17.6 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 93 | E | 29.4 | Very low | 28.9 | Very low | 173 Ų | 173 | 142 Ų | 142 | 81% | 0.808 | 78% | 0.784 | S | S | * | * | trans | -39.2 | 169.5 | 137.4 | -99.4 | -165.4 | 141.6 | 0 | 0 | 114.7 | ||||
| 94 | P | 43.8 | Very low | 28.9 | Very low | 124 Ų | 124 | 139.7 Ų | 139.7 | 81% | 0.805 | 79% | 0.786 | S | S | * | * | cis | -144.4 | -165.7 | 38.4 | 40.5 | -17.9 | 0 | 0 | 0 | 115.6 | ||||
| 95 | G | 28.1 | Very low | 29.2 | Very low | 66 Ų | 66 | 138 Ų | 138 | 68% | 0.68 | 78% | 0.78 | S | S | * | * | trans | -113.5 | -153.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 96 | Q | 31.4 | Very low | 30.3 | Very low | 181 Ų | 181 | 136.2 Ų | 136.2 | 85% | 0.846 | 78% | 0.777 | S | S | * | * | trans | 81.8 | 125.6 | 173.6 | -66.5 | -163 | -27.7 | 0 | 0 | 121.4 | ||||
| 97 | R | 30.6 | Very low | 30.4 | Very low | 205 Ų | 205 | 135.9 Ų | 135.9 | 77% | 0.774 | 77% | 0.77 | S | S | * | * | 96 | 136.3 | 130 | -93.5 | -173.2 | -176.5 | -144.3 | 1.3 | 123.2 | |||||
| 98 | N | 29.8 | Very low | 30.7 | Very low | 149 Ų | 149 | 137.5 Ų | 137.5 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | trans | 73.5 | 145.7 | 156.9 | -46.5 | -21.3 | 0 | 0 | 0 | 117.3 | ||||
| 99 | G | 28.5 | Very low | 30.7 | Very low | 61 Ų | 61 | 135.8 Ų | 135.8 | 63% | 0.629 | 77% | 0.773 | S | S | * | * | cis | 175.6 | 177.7 | -4.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 100 | E | 27.8 | Very low | 30.9 | Very low | 191 Ų | 191 | 133.4 Ų | 133.4 | 89% | 0.893 | 78% | 0.777 | S | S | * | * | trans | 68.4 | 145.5 | 162.4 | -65.2 | 171.5 | 118.6 | 0 | 0 | 119 | ||||
| 101 | T | 31.6 | Very low | 31.1 | Very low | 115 Ų | 115 | 132.4 Ų | 132.4 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | cis | 165.7 | 137.7 | -31.8 | 26.7 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 102 | T | 29.1 | Very low | 31.3 | Very low | 134 Ų | 134 | 131.5 Ų | 131.5 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | trans | 158.3 | 112.2 | 153.5 | 32.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 103 | S | 29.9 | Very low | 31.4 | Very low | 104 Ų | 104 | 129.6 Ų | 129.6 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | 60.9 | 138.5 | 91.6 | 69.3 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 104 | S | 29.1 | Very low | 31.4 | Very low | 112 Ų | 112 | 129.9 Ų | 129.9 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | cis | -176.9 | 161.8 | 2.9 | 40.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 105 | S | 30.4 | Very low | 30.8 | Very low | 113 Ų | 113 | 127.8 Ų | 127.8 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | trans | -83.2 | 165.9 | 162.2 | -53.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 106 | P | 49.8 | Very low | 31.1 | Very low | 119 Ų | 119 | 134.5 Ų | 134.5 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | -141.1 | 169.3 | 87.2 | 21.4 | 3.8 | 0 | 0 | 0 | 112.9 | |||||
| 107 | E | 31.1 | Very low | 31.2 | Very low | 176 Ų | 176 | 137 Ų | 137 | 82% | 0.822 | 81% | 0.808 | S | S | * | * | 57.7 | 142.2 | 62.4 | -82.7 | -142.5 | 73 | 0 | 0 | 116.9 | |||||
| 108 | S | 31.3 | Very low | 31.1 | Very low | 104 Ų | 104 | 133.2 Ų | 133.2 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | cis | -170.5 | 176.2 | -19.7 | 52.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 109 | G | 26.2 | Very low | 31.2 | Very low | 80 Ų | 80 | 129.8 Ų | 129.8 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | trans | 157.8 | 136.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 110 | S | 29.6 | Very low | 31.3 | Very low | 118 Ų | 118 | 137.3 Ų | 137.3 | 83% | 0.825 | 83% | 0.828 | S | S | * | * | trans | -96.3 | 160.8 | 176 | -56.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 111 | L | 32.9 | Very low | 31.3 | Very low | 160 Ų | 160 | 134 Ų | 134 | 84% | 0.838 | 83% | 0.825 | S | S | * | * | trans | 173.8 | 151.3 | 131.2 | -94.1 | 162.5 | 0 | 0 | 0 | 116 | ||||
| 112 | N | 29.8 | Very low | 31.4 | Very low | 156 Ų | 156 | 140.2 Ų | 140.2 | 83% | 0.834 | 84% | 0.836 | S | S | * | * | trans | -40.6 | 159.3 | 179.8 | -50.7 | -25.4 | 0 | 0 | 0 | 120.5 | ||||
| 113 | G | 30.1 | Very low | 31.5 | Very low | 80 Ų | 80 | 145.1 Ų | 145.1 | 83% | 0.825 | 84% | 0.839 | S | S | * | * | trans | 156.8 | 116.5 | 146.9 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 114 | N | 28.6 | Very low | 31.4 | Very low | 179 Ų | 179 | 150.4 Ų | 150.4 | 96% | 0.957 | 84% | 0.843 | S | S | * | * | trans | -41.8 | 150.9 | 173.5 | -78.5 | -27.6 | 0 | 0 | 0 | 118.9 | ||||
| 115 | G | 30.6 | Very low | 31.4 | Very low | 81 Ų | 81 | 151.9 Ų | 151.9 | 84% | 0.835 | 84% | 0.836 | S | S | * | * | trans | 174.7 | 106.6 | 157.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 116 | K | 35.8 | Very low | 31.4 | Very low | 206 Ų | 206 | 156.6 Ų | 156.6 | 90% | 0.896 | 84% | 0.842 | S | S | * | * | trans | -76.9 | 133.7 | 174.6 | -66.1 | 178.3 | 177.6 | 178.8 | 0 | 111.8 | ||||
| 117 | R | 31.9 | Very low | 30.6 | Very low | 234 Ų | 234 | 161.1 Ų | 161.1 | 88% | 0.883 | 84% | 0.844 | S | S | * | * | 160.1 | 147 | 121.2 | -89.4 | 176.1 | 176.3 | -134.5 | -1.6 | 114.2 | |||||
| 118 | S | 29.4 | Very low | 30.6 | Very low | 126 Ų | 126 | 158 Ų | 158 | 88% | 0.881 | 84% | 0.841 | S | S | * | * | trans | 72.4 | 139.4 | 156.1 | 73.2 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 119 | G | 32.3 | Very low | 30.5 | Very low | 76 Ų | 76 | 158.5 Ų | 158.5 | 78% | 0.784 | 85% | 0.845 | S | S | * | * | trans | 84.7 | 66.9 | 146.6 | 0 | 0 | 0 | 0 | 0 | 119.4 | S121 | G119-S121 PolarHBondContact O-N 2.9Š| ||
| 120 | K | 30.3 | Very low | 30.6 | Very low | 220 Ų | 220 | 161.9 Ų | 161.9 | 96% | 0.957 | 84% | 0.844 | S | S | * | * | trans | -91.7 | 76.7 | 164.5 | -79.1 | -178.3 | 178.3 | 173.8 | 0 | 112.2 | ||||
| 121 | S | 27.8 | Very low | 31.4 | Very low | 120 Ų | 120 | 161.8 Ų | 161.8 | 84% | 0.839 | 84% | 0.84 | S | S | * | * | trans | -89.5 | 114.9 | 160 | -179.9 | 0 | 0 | 0 | 0 | 109.4 | G119 R123 | G119-S121 PolarHBondContact O-N 2.9Å; S121-R123 PolarHBondContact O-N 3.06Å | ||
| 122 | R | 34 | Very low | 31.2 | Very low | 247 Ų | 247 | 157.2 Ų | 157.2 | 93% | 0.932 | 83% | 0.832 | S | S | * | * | trans | -91.5 | 85.1 | -169 | -130.2 | 174.5 | -178.6 | 164.9 | -3.5 | 112.6 | ||||
| 123 | R | 29.9 | Very low | 31.1 | Very low | 237 Ų | 237 | 154.7 Ų | 154.7 | 89% | 0.894 | 83% | 0.826 | S | S | * | * | trans | 40 | 97.2 | 135.2 | -162 | 163.4 | -172.7 | 174.2 | 1.7 | 119.8 | S121 | S121-R123 PolarHBondContact O-N 3.06Š| ||
| 124 | R | 28.3 | Very low | 31.1 | Very low | 215 Ų | 215 | 159.2 Ų | 159.2 | 81% | 0.811 | 83% | 0.826 | S | S | * | * | trans | -41.8 | 160 | 138 | -89.3 | -179.3 | 165.5 | 179.7 | -3 | 112.1 | ||||
| 125 | K | 30.3 | Very low | 31 | Very low | 142 Ų | 142 | 158.2 Ų | 158.2 | 62% | 0.617 | 82% | 0.815 | S | S | * | * | cis | 171.1 | 139.4 | -4 | 165.9 | 172.4 | -176.9 | 162.2 | 0 | 107.6 | ||||
| 126 | K | 30 | Very low | 30.9 | Very low | 213 Ų | 213 | 163.1 Ų | 163.1 | 93% | 0.926 | 82% | 0.816 | S | S | * | * | trans | -176.9 | 149.5 | 151.9 | -110.9 | -179.5 | -177.9 | -172.3 | 0 | 111.6 | ||||
| 127 | R | 32.5 | Very low | 30.4 | Very low | 214 Ų | 214 | 157.3 Ų | 157.3 | 81% | 0.808 | 81% | 0.814 | S | S | * | * | -159.2 | 114.9 | -74.7 | 179.6 | -176.7 | -165 | -164.3 | 3.8 | 110.4 | |||||
| 128 | S | 31.3 | Very low | 30.2 | Very low | 110 Ų | 110 | 155.4 Ų | 155.4 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | trans | -165.8 | 152.4 | 168.8 | 36.7 | 0 | 0 | 0 | 0 | 106 | ||||
| 129 | S | 30.1 | Very low | 29.9 | Very low | 115 Ų | 115 | 154.6 Ų | 154.6 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | cis | -134.3 | -137.4 | -23.3 | -74.6 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 130 | N | 26.7 | Very low | 29.7 | Very low | 150 Ų | 150 | 158.2 Ų | 158.2 | 80% | 0.802 | 80% | 0.804 | S | S | * | * | trans | -169.3 | 176.7 | 164 | -128.3 | 28.3 | 0 | 0 | 0 | 109.4 | ||||
| 131 | P | 47 | Very low | 29.6 | Very low | 116 Ų | 116 | 156 Ų | 156 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | cis | -123.6 | 178.7 | -5 | 38.9 | -22.2 | 0 | 0 | 0 | 113.5 | ||||
| 132 | G | 28.4 | Very low | 29.6 | Very low | 64 Ų | 64 | 155.8 Ų | 155.8 | 66% | 0.66 | 79% | 0.79 | S | S | * | * | cis | 118.6 | 138.1 | -6.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 133 | S | 29 | Very low | 29.3 | Very low | 103 Ų | 103 | 152.9 Ų | 152.9 | 72% | 0.72 | 78% | 0.784 | S | S | * | * | cis | 179.5 | 154.4 | -7.5 | 53.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 134 | H | 28.2 | Very low | 29.1 | Very low | 176 Ų | 176 | 147.3 Ų | 147.3 | 82% | 0.815 | 77% | 0.773 | S | S | * | * | trans | 72.4 | 166.8 | 163.6 | -71 | -88.6 | 0 | 0 | 0 | 121.2 | ||||
| 135 | H | 28.3 | Very low | 28.9 | Very low | 158 Ų | 158 | 141 Ų | 141 | 73% | 0.731 | 75% | 0.751 | S | S | * | * | cis | 161.2 | 143.3 | -39.2 | -136.3 | -69.6 | 0 | 0 | 0 | 109.4 | ||||
| 136 | E | 28 | Very low | 28.7 | Very low | 184 Ų | 184 | 137.1 Ų | 137.1 | 86% | 0.86 | 74% | 0.735 | S | S | * | * | trans | 64 | 144 | 162 | -53.8 | -145.2 | 120 | 0 | 0 | 122.8 | ||||
| 137 | G | 25.6 | Very low | 28.9 | Very low | 83 Ų | 83 | 130.5 Ų | 130.5 | 86% | 0.856 | 71% | 0.706 | S | S | * | * | trans | 160.9 | 91.6 | 163.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 138 | K | 25.9 | Very low | 29.3 | Very low | 194 Ų | 194 | 124.1 Ų | 124.1 | 84% | 0.843 | 69% | 0.693 | S | S | * | * | trans | -54.1 | 155.4 | 179.5 | -96.2 | 178.3 | 171.2 | 174 | 0 | 120.1 | ||||
| 139 | T | 25 | Very low | 29.3 | Very low | 110 Ų | 110 | 123.8 Ų | 123.8 | 68% | 0.675 | 68% | 0.682 | S | S | * | * | trans | 71.6 | 120.3 | 140.3 | 49.1 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 140 | D | 26.6 | Very low | 29.2 | Very low | 151 Ų | 151 | 127.5 Ų | 127.5 | 81% | 0.807 | 69% | 0.687 | S | S | * | * | 83.2 | 139.2 | 126.5 | -62.9 | -34.1 | 0 | 0 | 0 | 126.3 | |||||
| 141 | E | 28.6 | Very low | 29.2 | Very low | 175 Ų | 175 | 128 Ų | 128 | 82% | 0.818 | 68% | 0.684 | S | S | * | * | trans | 72.7 | 105.4 | 159.3 | -70.3 | -152.5 | 78.7 | 0 | 0 | 125.3 | ||||
| 142 | V | 28.5 | Very low | 28.4 | Very low | 115 Ų | 115 | 126.9 Ų | 126.9 | 70% | 0.697 | 68% | 0.675 | S | S | * | * | 64.1 | 107 | 124.1 | -175.9 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 143 | K | 27.1 | Very low | 28.4 | Very low | 185 Ų | 185 | 129.5 Ų | 129.5 | 80% | 0.804 | 68% | 0.684 | S | S | * | * | -169 | 114.6 | 107.8 | -130 | 168.5 | -178.6 | 170.2 | 0 | 115.5 | |||||
| 144 | N | 25.5 | Very low | 28.4 | Very low | 121 Ų | 121 | 130.8 Ų | 130.8 | 65% | 0.647 | 68% | 0.678 | S | S | * | * | trans | 43.9 | 120.2 | 142.4 | -82.3 | -42.6 | 0 | 0 | 0 | 123.3 | ||||
| 145 | K | 24.8 | Very low | 28.3 | Very low | 83 Ų | 83 | 127.6 Ų | 127.6 | 36% | 0.361 | 68% | 0.675 | S | S | . | * | 95.1 | 133.6 | 119.9 | -93.1 | -163.7 | -173.3 | -166.2 | 0 | 122.5 | N544 S547 N548 | K145-N544 HydrophobicContact CG-CB 4.07Å; K145-S547 WeakPolarHBondContact CE-OG 3.36Å; K145-S547 PolarHBondContact NZ-O 3.07Å; K145-S547 PolarHBondContact NZ-OG 2.68Å; K145-N548 VanDerWaalsContact CD-CG 3.47Å; K145-N548 WeakPolarHBondContact CD-ND2 3.42Å; K145-N548 WeakPolarHBondContact CD-OD1 3.29Å; K145-N548 PolarHBondContact NZ-OD1 3.36Å | |||
| 146 | E | 25.1 | Very low | 28.8 | Very low | 59 Ų | 59 | 125.5 Ų | 125.5 | 28% | 0.276 | 68% | 0.676 | S | S | . | * | trans | 88.5 | 84.4 | 154.4 | -34.7 | -105.3 | -74 | 0 | 0 | 120.7 | N544 T545 L546 S547 N548 | E146-N544 WeakPolarHBondContact CA-O 3.43Å; E146-N544 VanDerWaalsContact CB-O 3.32Å; E146-N544 WeakPolarHBondContact CB-O 3.45Å; E146-N544 WeakPolarHBondContact CG-O 3.22Å; E146-N544 PolarHBondContact N-O 2.78Å; E146-T545 VanDerWaalsContact OE2-C 3.25Å; E146-T545 VanDerWaalsContact OE2-CA 3.27Å; E146-T545 WeakPolarHBondContact OE2-CA 3.46Å; E146-T545 PolarHBondContact OE2-N 3.21Å; E146-L546 PolarHBondContact OE2-N 3.15Å; E146-S547 PolarHBondContact OE1-N 2.92Å; E146-S547 WeakPolarHBondContact OE2-CA 3.46Å; E146-S547 PolarHBondContact OE2-N 2.69Å; E146-S547 PolarHBondContact OE2-OG 3.01Å; E146-N548 HydrophobicContact CG-CB 4.01Å; E146-N548 WeakPolarHBondContact OE1-CA 3.45Å; E146-N548 WeakPolarHBondContact OE1-CB 3.28Å; E146-N548 PolarHBondContact OE1-N 3.48Å; E146-N548 PolarHBondContact OE2-N 2.98Å | ||
| 147 | K | 34.9 | Very low | 29.1 | Very low | 74 Ų | 74 | 126 Ų | 126 | 32% | 0.322 | 68% | 0.678 | S | S | . | * | trans | -49.8 | -161.4 | 142.4 | -117.9 | -163.7 | -176.8 | -152.2 | 0 | 112.1 | D149 S538 L542 T545 | K147-D149 WeakPolarHBondContact CD-OD1 3.22Å; K147-D149 WeakPolarHBondContact CD-OD2 3.38Å; K147-D149 WeakPolarHBondContact CE-OD1 3.45Å; K147-D149 WeakPolarHBondContact CE-OD2 3.41Å; K147-D149 IonicContact NZ-OD1 2.74Å; K147-D149 PolarHBondContact NZ-OD1 2.99Å; K147-D149 IonicContact NZ-OD2 2.87Å; K147-D149 PolarHBondContact NZ-OD2 2.9Å; K147-S538 PolarHBondContact NZ-O 2.95Å; K147-L542 HydrophobicContact CD-CD1 4.24Å; K147-T545 HydrophobicContact CB-CG2 3.17Å; K147-T545 VanDerWaalsContact N-CG2 3.26Å; K147-T545 WeakPolarHBondContact O-CB 3.48Å; K147-T545 VanDerWaalsContact O-CG2 3.27Å; K147-T545 WeakPolarHBondContact O-CG2 3.37Å | ||
| 148 | P | 40 | Very low | 29.5 | Very low | 81 Ų | 81 | 129.1 Ų | 129.1 | 53% | 0.526 | 67% | 0.671 | S | S | . | * | cis | -92.3 | 144.9 | -12.3 | -2.5 | 25.5 | 0 | 0 | 0 | 113.1 | L542 T545 | P148-L542 HydrophobicContact CB-CD1 3.55Å; P148-L542 HydrophobicContact CG-CD1 3.6Å; P148-T545 HydrophobicContact CG-CG2 4.34Å | ||
| 149 | D | 31.1 | Very low | 30.3 | Very low | 103 Ų | 103 | 124.4 Ų | 124.4 | 55% | 0.551 | 66% | 0.66 | S | S | * | * | 66.5 | 105.3 | 86.8 | -59.1 | -28.5 | 0 | 0 | 0 | 114.3 | K147 | K147-D149 WeakPolarHBondContact CD-OD1 3.22Å; K147-D149 WeakPolarHBondContact CD-OD2 3.38Å; K147-D149 WeakPolarHBondContact CE-OD1 3.45Å; K147-D149 WeakPolarHBondContact CE-OD2 3.41Å; K147-D149 IonicContact NZ-OD1 2.74Å; K147-D149 PolarHBondContact NZ-OD1 2.99Å; K147-D149 IonicContact NZ-OD2 2.87Å; K147-D149 PolarHBondContact NZ-OD2 2.9Å | |||
| 150 | E | 29.1 | Very low | 31.3 | Very low | 192 Ų | 192 | 123.5 Ų | 123.5 | 90% | 0.897 | 66% | 0.663 | S | S | * | * | -172.9 | 131.9 | 101.8 | -163.4 | 167.2 | 169.4 | 0 | 0 | 110.1 | |||||
| 151 | H | 26.5 | Very low | 31.9 | Very low | 162 Ų | 162 | 119.9 Ų | 119.9 | 75% | 0.75 | 66% | 0.655 | S | S | * | * | trans | -139.4 | 144.6 | 178.7 | -107.2 | -80 | 0 | 0 | 0 | 110.6 | ||||
| 152 | T | 29.6 | Very low | 32.5 | Very low | 91 Ų | 91 | 115.3 Ų | 115.3 | 56% | 0.558 | 64% | 0.635 | S | S | * | * | trans | -2.5 | 136.4 | 143.8 | -41.5 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 153 | S | 28.9 | Very low | 33.3 | Very low | 120 Ų | 120 | 116.7 Ų | 116.7 | 84% | 0.839 | 64% | 0.636 | S | S | * | * | -173 | 148.8 | 129.7 | -84.4 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 154 | Q | 29.5 | Very low | 34 | Very low | 129 Ų | 129 | 109.6 Ų | 109.6 | 60% | 0.603 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 163.6 | 174.7 | -71 | 163.9 | -53.9 | 0 | 0 | 111.8 | R580 | Q154-R580 VanDerWaalsContact OE1-CZ 3.24Š|
| 155 | S | 25.3 | Very low | 34.6 | Very low | 109 Ų | 109 | 108.3 Ų | 108.3 | 76% | 0.762 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 143.6 | -178.6 | 52.7 | 0 | 0 | 0 | 0 | 114.1 | ||
| 156 | P | 38.4 | Very low | 35.4 | Very low | 114 Ų | 114 | 111.8 Ų | 111.8 | 74% | 0.74 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 166.4 | 158.5 | 35 | -33.9 | 0 | 0 | 0 | 111.1 | ||
| 157 | E | 36 | Very low | 36.5 | Very low | 195 Ų | 195 | 113.4 Ų | 113.4 | 91% | 0.911 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -55 | 139.3 | 172.1 | -64.7 | 171.2 | 122.7 | 0 | 0 | 111.6 | ||
| 158 | Q | 32.6 | Very low | 36.9 | Very low | 149 Ų | 149 | 116.1 Ų | 116.1 | 70% | 0.696 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -99.2 | 140.9 | 165.8 | -69.9 | -157 | -16.6 | 0 | 0 | 110.2 | ||
| 159 | P | 42.5 | Very low | 37.2 | Very low | 95 Ų | 95 | 115.3 Ų | 115.3 | 62% | 0.617 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 149.9 | -178.3 | 28.8 | -35.1 | 0 | 0 | 0 | 111.3 | A161 L162 | P159-A161 PolarHBondContact O-N 3.03Å; P159-L162 PolarHBondContact O-N 2.99Å; P159-L162 VanDerWaalsContact O-N 3.16Å |
| 160 | A | 46.6 | Very low | 38 | Very low | 90 Ų | 90 | 112.4 Ų | 112.4 | 74% | 0.744 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.1 | -12.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | L162 | A160-L162 VanDerWaalsContact C-N 3.29Å; A160-L162 PolarHBondContact O-N 2.86Å |
| 161 | A | 40.3 | Very low | 38.9 | Very low | 76 Ų | 76 | 107.8 Ų | 107.8 | 63% | 0.628 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -62.6 | -27.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | P159 | P159-A161 PolarHBondContact O-N 3.03Å |
| 162 | L | 39.9 | Very low | 40 | Very low | 79 Ų | 79 | 105.1 Ų | 105.1 | 41% | 0.414 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -84.6 | -16.9 | -176 | -93 | 164.5 | 0 | 0 | 0 | 115.3 | P159 A160 L165 | P159-L162 PolarHBondContact O-N 2.99Å; P159-L162 VanDerWaalsContact O-N 3.16Å; A160-L162 VanDerWaalsContact C-N 3.29Å; A160-L162 PolarHBondContact O-N 2.86Å; L162-L165 HydrophobicContact CD2-CD1 3.99Å |
| 163 | M | 46.6 | Very low | 40.9 | Very low | 144 Ų | 144 | 107 Ų | 107 | 71% | 0.709 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -81.8 | -21.6 | 174.4 | -73.1 | -154.4 | -75.3 | 0 | 0 | 113.7 | S167 | M163-S167 PolarHBondContact O-N 3.12Å; M163-S167 PolarHBondContact O-OG 2.88Å |
| 164 | G | 39.9 | Very low | 41.7 | Very low | 36 Ų | 36 | 110.5 Ų | 110.5 | 37% | 0.371 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -61.5 | -52.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q166 S167 E168 | G164-Q166 VanDerWaalsContact C-N 3.34Å; G164-Q166 PolarHBondContact O-N 3.05Å; G164-S167 WeakPolarHBondContact O-CB 3.45Å; G164-S167 PolarHBondContact O-N 3.27Å; G164-E168 PolarHBondContact O-N 3.43Å; G164-E168 VanDerWaalsContact O-N 3.1Å |
| 165 | L | 38.8 | Very low | 43.1 | Very low | 94 Ų | 94 | 110.8 Ų | 110.8 | 49% | 0.492 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -57.2 | -38.1 | 179.9 | -78.5 | 158.8 | 0 | 0 | 0 | 114.1 | L162 C169 | L162-L165 HydrophobicContact CD2-CD1 3.99Å; L165-C169 WeakPolarHBondContact O-CB 3.43Å; L165-C169 PolarHBondContact O-N 3.44Å; L165-C169 VanDerWaalsContact O-N 3.1Å; L165-C169 PolarHBondContact O-SG 3.11Å |
| 166 | Q | 42 | Very low | 45.5 | Very low | 156 Ų | 156 | 110.2 Ų | 110.2 | 73% | 0.729 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -71.4 | -30.2 | 176.2 | -77.2 | -167.4 | -6.5 | 0 | 0 | 113.3 | G164 G170 | G164-Q166 VanDerWaalsContact C-N 3.34Å; G164-Q166 PolarHBondContact O-N 3.05Å; Q166-G170 PolarHBondContact O-N 2.99Å |
| 167 | S | 47.4 | Very low | 47.3 | Very low | 92 Ų | 92 | 110.3 Ų | 110.3 | 64% | 0.643 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -73.1 | -39.3 | 179 | -57.9 | 0 | 0 | 0 | 0 | 111.4 | M163 G164 G170 | M163-S167 PolarHBondContact O-N 3.12Å; M163-S167 PolarHBondContact O-OG 2.88Å; G164-S167 WeakPolarHBondContact O-CB 3.45Å; G164-S167 PolarHBondContact O-N 3.27Å; S167-G170 PolarHBondContact O-N 3.35Å |
| 168 | E | 43.7 | Very low | 49.3 | Very low | 131 Ų | 131 | 105.5 Ų | 105.5 | 61% | 0.612 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -68.3 | -38.4 | 173.5 | -70 | 165.5 | 171 | 0 | 0 | 112 | G164 G170 S171 | G164-E168 PolarHBondContact O-N 3.43Å; G164-E168 VanDerWaalsContact O-N 3.1Å; E168-G170 PolarHBondContact O-N 2.84Å; E168-G170 VanDerWaalsContact O-N 3.09Å; E168-S171 PolarHBondContact O-N 2.97Å; E168-S171 VanDerWaalsContact O-N 3.11Å |
| 169 | C | 46.2 | Very low | 51.3 | Low | 64 Ų | 64 | 105 Ų | 105 | 43% | 0.432 | 58% | 0.577 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.7 | -8.4 | 174.1 | -69.6 | 0 | 0 | 0 | 0 | 114.5 | L165 S171 R176 | L165-C169 WeakPolarHBondContact O-CB 3.43Å; L165-C169 PolarHBondContact O-N 3.44Å; L165-C169 VanDerWaalsContact O-N 3.1Å; L165-C169 PolarHBondContact O-SG 3.11Å; C169-S171 VanDerWaalsContact C-N 3.33Å; C169-R176 PolarHBondContact O-NH2 3.13Å |
| 170 | G | 47.4 | Very low | 53.3 | Low | 42 Ų | 42 | 105.4 Ų | 105.4 | 43% | 0.433 | 57% | 0.571 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.2 | -31.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q166 S167 E168 | Q166-G170 PolarHBondContact O-N 2.99Å; S167-G170 PolarHBondContact O-N 3.35Å; E168-G170 PolarHBondContact O-N 2.84Å; E168-G170 VanDerWaalsContact O-N 3.09Å |
| 171 | S | 48.5 | Very low | 54.7 | Low | 95 Ų | 95 | 107.4 Ų | 107.4 | 66% | 0.664 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | -21.2 | -175.2 | -52 | 0 | 0 | 0 | 0 | 113.6 | E168 C169 W173 | E168-S171 PolarHBondContact O-N 2.97Å; E168-S171 VanDerWaalsContact O-N 3.11Å; C169-S171 VanDerWaalsContact C-N 3.33Å; S171-W173 VanDerWaalsContact C-N 3.34Å; S171-W173 PolarHBondContact O-N 3.11Å |
| 172 | V | 50.3 | Low | 56.6 | Low | 107 Ų | 107 | 106.4 Ų | 106.4 | 65% | 0.648 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -74 | -23.7 | -175.5 | 177 | 0 | 0 | 0 | 0 | 112.8 | ||
| 173 | W | 48.8 | Very low | 58.6 | Low | 130 Ų | 130 | 106.9 Ų | 106.9 | 49% | 0.492 | 56% | 0.557 | S | S | . | * | trans | -104.4 | 79 | 178.5 | -77 | 55.1 | 0 | 0 | 0 | 110.3 | S171 E175 R176 Y179 | S171-W173 VanDerWaalsContact C-N 3.34Å; S171-W173 PolarHBondContact O-N 3.11Å; W173-E175 PolarHBondContact O-N 3.09Å; W173-R176 HydrophobicContact CB-CB 4.22Å; W173-R176 PolarHBondContact O-N 3.01Å; W173-Y179 AromaticContact CZ3-CD1 3.99Å; W173-Y179 HydrophobicContact CZ3-CD1 3.99Å; W173-Y179 HydrophobicContact CZ3-CD2 4.14Å; W173-Y179 HydrophobicContact CZ3-CE1 4.17Å; W173-Y179 HydrophobicContact CZ3-CE2 4.3Å; W173-Y179 AromaticContact CZ3-CG 3.99Å; W173-Y179 HydrophobicContact CZ3-CG 3.99Å | ||
| 174 | F | 45.3 | Very low | 60.5 | Low | 193 Ų | 193 | 103.4 Ų | 103.4 | 85% | 0.846 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.8 | 128.9 | 158.2 | -83.4 | -89.2 | 0 | 0 | 0 | 108.3 | R176 | F174-R176 PolarHBondContact O-N 3.18Š|
| 175 | E | 57.8 | Low | 62.6 | Low | 136 Ų | 136 | 107.6 Ų | 107.6 | 64% | 0.636 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 67.3 | 27.3 | 178.1 | -47.4 | -171.9 | 159 | 0 | 0 | 117 | W173 N177 I178 Y179 | W173-E175 PolarHBondContact O-N 3.09Å; E175-N177 PolarHBondContact O-N 2.81Å; E175-N177 VanDerWaalsContact O-N 3.08Å; E175-I178 HydrophobicContact CB-CB 4.02Å; E175-I178 HydrophobicContact CB-CD1 3.96Å; E175-I178 HydrophobicContact CB-CG1 3.97Å; E175-I178 HydrophobicContact CG-CD1 4.02Å; E175-I178 WeakPolarHBondContact O-CA 3.42Å; E175-I178 WeakPolarHBondContact O-CB 3.41Å; E175-I178 PolarHBondContact O-N 3.31Å; E175-Y179 PolarHBondContact O-N 2.91Å |
| 176 | R | 76.6 | Confident | 64.5 | Low | 96 Ų | 96 | 109.7 Ų | 109.7 | 36% | 0.362 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -45.2 | -42.8 | 169.5 | 179.6 | 177.6 | -66.3 | 165.7 | 5.8 | 113.1 | C169 W173 F174 I178 Y179 E180 | C169-R176 PolarHBondContact O-NH2 3.13Å; W173-R176 HydrophobicContact CB-CB 4.22Å; W173-R176 PolarHBondContact O-N 3.01Å; F174-R176 PolarHBondContact O-N 3.18Å; R176-I178 VanDerWaalsContact C-N 3.27Å; R176-I178 PolarHBondContact O-N 3.21Å; R176-Y179 PolarHBondContact O-N 3.46Å; R176-E180 WeakPolarHBondContact CD-OE1 3.38Å; R176-E180 HydrophobicContact CG-CG 4.21Å; R176-E180 VanDerWaalsContact CG-OE1 3.31Å; R176-E180 WeakPolarHBondContact CG-OE1 3.39Å; R176-E180 WeakPolarHBondContact O-CG 3.47Å; R176-E180 PolarHBondContact O-N 3.47Å |
| 177 | N | 76 | Confident | 66.2 | Low | 117 Ų | 117 | 107.3 Ų | 107.3 | 63% | 0.626 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -63.5 | -28.9 | 178.2 | -68.3 | 4.4 | 0 | 0 | 0 | 113.6 | E175 Q181 | E175-N177 PolarHBondContact O-N 2.81Å; E175-N177 VanDerWaalsContact O-N 3.08Å; N177-Q181 WeakPolarHBondContact O-CB 3.41Å; N177-Q181 VanDerWaalsContact O-CG 3.27Å; N177-Q181 WeakPolarHBondContact O-CG 3.29Å; N177-Q181 PolarHBondContact O-N 2.9Å; N177-Q181 VanDerWaalsContact O-N 3.13Å |
| 178 | I | 77.2 | Confident | 67.4 | Low | 93 Ų | 93 | 106.6 Ų | 106.6 | 48% | 0.477 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -78.9 | -39.9 | 175.9 | -54 | -170.7 | 0 | 0 | 0 | 109.4 | E175 R176 Q181 A182 | E175-I178 HydrophobicContact CB-CB 4.02Å; E175-I178 HydrophobicContact CB-CD1 3.96Å; E175-I178 HydrophobicContact CB-CG1 3.97Å; E175-I178 HydrophobicContact CG-CD1 4.02Å; E175-I178 WeakPolarHBondContact O-CA 3.42Å; E175-I178 WeakPolarHBondContact O-CB 3.41Å; E175-I178 PolarHBondContact O-N 3.31Å; R176-I178 VanDerWaalsContact C-N 3.27Å; R176-I178 PolarHBondContact O-N 3.21Å; I178-Q181 PolarHBondContact O-N 2.94Å; I178-A182 WeakPolarHBondContact O-CB 3.19Å; I178-A182 PolarHBondContact O-N 2.85Å |
| 179 | Y | 75.2 | Confident | 69.3 | Low | 138 Ų | 138 | 107.9 Ų | 107.9 | 54% | 0.541 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.4 | -45.7 | 173 | -173.1 | -89.8 | 0 | 0 | 0 | 112.1 | W173 E175 R176 Q181 A182 E183 | W173-Y179 AromaticContact CZ3-CD1 3.99Å; W173-Y179 HydrophobicContact CZ3-CD1 3.99Å; W173-Y179 HydrophobicContact CZ3-CD2 4.14Å; W173-Y179 HydrophobicContact CZ3-CE1 4.17Å; W173-Y179 HydrophobicContact CZ3-CE2 4.3Å; W173-Y179 AromaticContact CZ3-CG 3.99Å; W173-Y179 HydrophobicContact CZ3-CG 3.99Å; E175-Y179 PolarHBondContact O-N 2.91Å; R176-Y179 PolarHBondContact O-N 3.46Å; Y179-Q181 PolarHBondContact O-N 3Å; Y179-A182 PolarHBondContact O-N 3.44Å; Y179-E183 WeakPolarHBondContact O-CB 3.47Å; Y179-E183 PolarHBondContact O-N 3.39Å |
| 180 | E | 84.1 | Confident | 70.7 | Confident | 105 Ų | 105 | 108.4 Ų | 108.4 | 49% | 0.491 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.6 | -36.1 | 175.3 | -73 | 177 | -169.4 | 0 | 0 | 112.3 | R176 S184 | R176-E180 WeakPolarHBondContact CD-OE1 3.38Å; R176-E180 HydrophobicContact CG-CG 4.21Å; R176-E180 VanDerWaalsContact CG-OE1 3.31Å; R176-E180 WeakPolarHBondContact CG-OE1 3.39Å; R176-E180 WeakPolarHBondContact O-CG 3.47Å; R176-E180 PolarHBondContact O-N 3.47Å; E180-S184 VanDerWaalsContact O-CB 3.26Å; E180-S184 WeakPolarHBondContact O-CB 3.49Å; E180-S184 PolarHBondContact O-N 3.47Å |
| 181 | Q | 76.6 | Confident | 72 | Confident | 132 Ų | 132 | 111.5 Ų | 111.5 | 62% | 0.617 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -66.3 | -42.8 | 171.3 | -80 | -179.9 | 25.7 | 0 | 0 | 112.1 | N177 I178 Y179 S184 L185 | N177-Q181 WeakPolarHBondContact O-CB 3.41Å; N177-Q181 VanDerWaalsContact O-CG 3.27Å; N177-Q181 WeakPolarHBondContact O-CG 3.29Å; N177-Q181 PolarHBondContact O-N 2.9Å; N177-Q181 VanDerWaalsContact O-N 3.13Å; I178-Q181 PolarHBondContact O-N 2.94Å; Y179-Q181 PolarHBondContact O-N 3Å; Q181-S184 PolarHBondContact O-N 2.77Å; Q181-L185 WeakPolarHBondContact O-CB 3.28Å; Q181-L185 VanDerWaalsContact O-CG 3.28Å; Q181-L185 WeakPolarHBondContact O-CG 3.45Å; Q181-L185 PolarHBondContact O-N 3.37Å |
| 182 | A | 80.9 | Confident | 72.8 | Confident | 55 Ų | 55 | 111 Ų | 111 | 46% | 0.455 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.1 | -41.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | I178 Y179 L185 Y186 | I178-A182 WeakPolarHBondContact O-CB 3.19Å; I178-A182 PolarHBondContact O-N 2.85Å; Y179-A182 PolarHBondContact O-N 3.44Å; A182-L185 PolarHBondContact O-N 2.84Å; A182-Y186 VanDerWaalsContact O-CB 3.3Å; A182-Y186 WeakPolarHBondContact O-CB 3.38Å; A182-Y186 PolarHBondContact O-N 2.88Å |
| 183 | E | 81.6 | Confident | 73.2 | Confident | 88 Ų | 88 | 107 Ų | 107 | 41% | 0.411 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.2 | -44.6 | 174.9 | -158 | -153.2 | 150.2 | 0 | 0 | 111.3 | Y179 L185 Y186 Q187 | Y179-E183 WeakPolarHBondContact O-CB 3.47Å; Y179-E183 PolarHBondContact O-N 3.39Å; E183-L185 PolarHBondContact O-N 3.43Å; E183-Y186 CarbonylContact O-C 3.54Å; E183-Y186 PolarHBondContact O-N 2.85Å; E183-Q187 WeakPolarHBondContact O-CG 3.35Å; E183-Q187 PolarHBondContact O-N 3.23Å; E183-Q187 PolarHBondContact OE1-NE2 3.29Å |
| 184 | S | 85.6 | Confident | 73.5 | Confident | 72 Ų | 72 | 103.8 Ų | 103.8 | 50% | 0.503 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.6 | -44.1 | 176.2 | -174.8 | 0 | 0 | 0 | 0 | 112.1 | E180 Q181 Q187 C188 | E180-S184 VanDerWaalsContact O-CB 3.26Å; E180-S184 WeakPolarHBondContact O-CB 3.49Å; E180-S184 PolarHBondContact O-N 3.47Å; Q181-S184 PolarHBondContact O-N 2.77Å; S184-Q187 PolarHBondContact O-N 2.88Å; S184-C188 WeakPolarHBondContact O-CB 3.28Å; S184-C188 PolarHBondContact O-N 3.33Å |
| 185 | L | 85.2 | Confident | 73.8 | Confident | 124 Ų | 124 | 101.3 Ų | 101.3 | 65% | 0.649 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.4 | -40.5 | 174 | -72.5 | 171.7 | 0 | 0 | 0 | 112 | Q181 A182 E183 C188 W189 | Q181-L185 WeakPolarHBondContact O-CB 3.28Å; Q181-L185 VanDerWaalsContact O-CG 3.28Å; Q181-L185 WeakPolarHBondContact O-CG 3.45Å; Q181-L185 PolarHBondContact O-N 3.37Å; A182-L185 PolarHBondContact O-N 2.84Å; E183-L185 PolarHBondContact O-N 3.43Å; L185-C188 PolarHBondContact O-N 2.91Å; L185-W189 WeakPolarHBondContact O-CB 3.09Å; L185-W189 PolarHBondContact O-N 2.8Å |
| 186 | Y | 78.1 | Confident | 72.8 | Confident | 137 Ų | 137 | 104.2 Ų | 104.2 | 54% | 0.537 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.2 | -41.4 | 176.1 | 179.3 | -112.3 | 0 | 0 | 0 | 112.2 | A182 E183 W189 L190 | A182-Y186 VanDerWaalsContact O-CB 3.3Å; A182-Y186 WeakPolarHBondContact O-CB 3.38Å; A182-Y186 PolarHBondContact O-N 2.88Å; E183-Y186 CarbonylContact O-C 3.54Å; E183-Y186 PolarHBondContact O-N 2.85Å; Y186-W189 HydrophobicContact CD2-CE3 4.19Å; Y186-W189 HydrophobicContact CE2-CE3 4.02Å; Y186-W189 HydrophobicContact CE2-CZ3 4.11Å; Y186-W189 CarbonylContact O-C 3.44Å; Y186-W189 PolarHBondContact O-N 3.49Å; Y186-L190 HydrophobicContact CD1-CD1 3.97Å; Y186-L190 HydrophobicContact CE1-CD1 3.5Å; Y186-L190 VanDerWaalsContact CE1-CD1 3.5Å; Y186-L190 HydrophobicContact CE1-CG 4.19Å; Y186-L190 HydrophobicContact CE2-CD1 4.5Å; Y186-L190 HydrophobicContact CE2-CG 4.33Å; Y186-L190 WeakPolarHBondContact O-CG 3.08Å; Y186-L190 PolarHBondContact O-N 3.27Å |
| 187 | Q | 76.8 | Confident | 71.1 | Confident | 107 Ų | 107 | 105.5 Ų | 105.5 | 50% | 0.5 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.2 | -41.9 | 173 | -69.6 | -162.5 | 30.8 | 0 | 0 | 111.5 | E183 S184 W189 L190 V191 | E183-Q187 WeakPolarHBondContact O-CG 3.35Å; E183-Q187 PolarHBondContact O-N 3.23Å; E183-Q187 PolarHBondContact OE1-NE2 3.29Å; S184-Q187 PolarHBondContact O-N 2.88Å; Q187-W189 VanDerWaalsContact C-N 3.3Å; Q187-W189 PolarHBondContact O-N 2.77Å; Q187-L190 PolarHBondContact O-N 2.62Å; Q187-V191 WeakPolarHBondContact O-CG2 3.24Å; Q187-V191 PolarHBondContact O-N 2.7Å |
| 188 | C | 73.8 | Confident | 69.3 | Low | 76 Ų | 76 | 104.8 Ų | 104.8 | 51% | 0.514 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61 | -37.6 | 171.5 | -85.9 | 0 | 0 | 0 | 0 | 112.6 | S184 L185 S192 | S184-C188 WeakPolarHBondContact O-CB 3.28Å; S184-C188 PolarHBondContact O-N 3.33Å; L185-C188 PolarHBondContact O-N 2.91Å; C188-S192 VanDerWaalsContact O-CB 3.3Å; C188-S192 WeakPolarHBondContact O-CB 3.16Å; C188-S192 PolarHBondContact O-N 3.37Å; C188-S192 PolarHBondContact O-OG 2.83Å |
| 189 | W | 84 | Confident | 67.1 | Low | 158 Ų | 158 | 109.6 Ų | 109.6 | 60% | 0.598 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -68.6 | -39.4 | 174.1 | -179.5 | 87.6 | 0 | 0 | 0 | 111.9 | L185 Y186 Q187 S192 S193 | L185-W189 WeakPolarHBondContact O-CB 3.09Å; L185-W189 PolarHBondContact O-N 2.8Å; Y186-W189 HydrophobicContact CD2-CE3 4.19Å; Y186-W189 HydrophobicContact CE2-CE3 4.02Å; Y186-W189 HydrophobicContact CE2-CZ3 4.11Å; Y186-W189 CarbonylContact O-C 3.44Å; Y186-W189 PolarHBondContact O-N 3.49Å; Q187-W189 VanDerWaalsContact C-N 3.3Å; Q187-W189 PolarHBondContact O-N 2.77Å; W189-S192 PolarHBondContact O-N 3.36Å; W189-S193 WeakPolarHBondContact O-CB 3.3Å; W189-S193 PolarHBondContact O-N 2.73Å; W189-S193 PolarHBondContact O-OG 3.43Å |
| 190 | L | 74.1 | Confident | 65.4 | Low | 75 Ų | 75 | 109.4 Ų | 109.4 | 39% | 0.393 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -62.7 | -43.3 | 173.2 | -77.5 | 174.1 | 0 | 0 | 0 | 112.2 | Y186 Q187 S193 A194 | Y186-L190 HydrophobicContact CD1-CD1 3.97Å; Y186-L190 HydrophobicContact CE1-CD1 3.5Å; Y186-L190 VanDerWaalsContact CE1-CD1 3.5Å; Y186-L190 HydrophobicContact CE1-CG 4.19Å; Y186-L190 HydrophobicContact CE2-CD1 4.5Å; Y186-L190 HydrophobicContact CE2-CG 4.33Å; Y186-L190 WeakPolarHBondContact O-CG 3.08Å; Y186-L190 PolarHBondContact O-N 3.27Å; Q187-L190 PolarHBondContact O-N 2.62Å; L190-S193 VanDerWaalsContact CA-OG 3.32Å; L190-S193 WeakPolarHBondContact CA-OG 2.98Å; L190-S193 CarbonylContact O-C 3.58Å; L190-S193 PolarHBondContact O-N 3.4Å; L190-S193 PolarHBondContact O-OG 3.5Å; L190-A194 PolarHBondContact O-N 3.31Å |
| 191 | V | 75.6 | Confident | 62.8 | Low | 108 Ų | 108 | 112.4 Ų | 112.4 | 66% | 0.655 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -66 | -41 | 175.5 | 173 | 0 | 0 | 0 | 0 | 111.2 | Q187 S193 A194 | Q187-V191 WeakPolarHBondContact O-CG2 3.24Å; Q187-V191 PolarHBondContact O-N 2.7Å; V191-S193 VanDerWaalsContact C-N 3.33Å; V191-S193 PolarHBondContact O-N 2.88Å; V191-A194 PolarHBondContact O-N 3.07Å |
| 192 | S | 64.4 | Low | 60.6 | Low | 83 Ų | 83 | 117 Ų | 117 | 58% | 0.58 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -66.4 | -36.4 | 175.3 | -58.6 | 0 | 0 | 0 | 0 | 112 | C188 W189 N195 | C188-S192 VanDerWaalsContact O-CB 3.3Å; C188-S192 WeakPolarHBondContact O-CB 3.16Å; C188-S192 PolarHBondContact O-N 3.37Å; C188-S192 PolarHBondContact O-OG 2.83Å; W189-S192 PolarHBondContact O-N 3.36Å; S192-N195 WeakPolarHBondContact O-CB 3.34Å; S192-N195 PolarHBondContact O-N 3.43Å; S192-N195 VanDerWaalsContact O-N 3.15Å |
| 193 | S | 59.9 | Low | 58.2 | Low | 25 Ų | 25 | 118 Ų | 118 | 18% | 0.175 | 61% | 0.613 | C | S | . | * | H | α-helix | trans | -85.7 | -1.4 | 177.8 | 65.5 | 0 | 0 | 0 | 0 | 114.2 | W189 L190 V191 W196 I197 | W189-S193 WeakPolarHBondContact O-CB 3.3Å; W189-S193 PolarHBondContact O-N 2.73Å; W189-S193 PolarHBondContact O-OG 3.43Å; L190-S193 VanDerWaalsContact CA-OG 3.32Å; L190-S193 WeakPolarHBondContact CA-OG 2.98Å; L190-S193 CarbonylContact O-C 3.58Å; L190-S193 PolarHBondContact O-N 3.4Å; L190-S193 PolarHBondContact O-OG 3.5Å; V191-S193 VanDerWaalsContact C-N 3.33Å; V191-S193 PolarHBondContact O-N 2.88Å; S193-W196 VanDerWaalsContact C-CD1 3.42Å; S193-W196 VanDerWaalsContact CA-CD1 3.43Å; S193-W196 PolarHBondContact O-NE1 2.85Å; S193-I197 WeakPolarHBondContact O-CD1 3.48Å |
| 194 | A | 55.5 | Low | 55.7 | Low | 62 Ų | 62 | 122 Ų | 122 | 51% | 0.512 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -76.2 | -29 | 157.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | L190 V191 | L190-A194 PolarHBondContact O-N 3.31Å; V191-A194 PolarHBondContact O-N 3.07Å |
| 195 | N | 50.3 | Low | 53 | Low | 140 Ų | 140 | 126.7 Ų | 126.7 | 75% | 0.749 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | -15.2 | -167.3 | -136.5 | 15.7 | 0 | 0 | 0 | 114.8 | S192 | S192-N195 WeakPolarHBondContact O-CB 3.34Å; S192-N195 PolarHBondContact O-N 3.43Å; S192-N195 VanDerWaalsContact O-N 3.15Å |
| 196 | W | 37.6 | Very low | 50.2 | Low | 197 Ų | 197 | 125.8 Ų | 125.8 | 75% | 0.746 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | -15.8 | 171.9 | 74 | -60.3 | 0 | 0 | 0 | 114 | S193 S198 | S193-W196 VanDerWaalsContact C-CD1 3.42Å; S193-W196 VanDerWaalsContact CA-CD1 3.43Å; S193-W196 PolarHBondContact O-NE1 2.85Å; W196-S198 PolarHBondContact O-N 2.64Å |
| 197 | I | 41 | Very low | 47.9 | Very low | 123 Ų | 123 | 124.9 Ų | 124.9 | 63% | 0.631 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -75.2 | -13.8 | -174.1 | -61.9 | 176.7 | 0 | 0 | 0 | 112.1 | S193 | S193-I197 WeakPolarHBondContact O-CD1 3.48Š|
| 198 | S | 37.8 | Very low | 45.6 | Very low | 103 Ų | 103 | 123.6 Ų | 123.6 | 72% | 0.72 | 68% | 0.679 | S | S | * | * | trans | -105 | 60.9 | -175 | -67.7 | 0 | 0 | 0 | 0 | 115 | W196 | W196-S198 PolarHBondContact O-N 2.64Š| ||
| 199 | K | 32.1 | Very low | 43.6 | Very low | 194 Ų | 194 | 129.5 Ų | 129.5 | 84% | 0.843 | 70% | 0.696 | S | S | * | * | trans | -136.8 | 130.2 | 153.3 | -71.6 | -169 | 179.9 | 172.8 | 0 | 111.4 | ||||
| 200 | P | 39.5 | Very low | 40.9 | Very low | 133 Ų | 133 | 133.7 Ų | 133.7 | 86% | 0.864 | 71% | 0.712 | S | S | * | * | trans | -81.4 | 147.8 | -171.9 | 33.6 | -35.5 | 0 | 0 | 0 | 111.5 | ||||
| 201 | N | 28.6 | Very low | 39.1 | Very low | 168 Ų | 168 | 135.8 Ų | 135.8 | 90% | 0.898 | 73% | 0.733 | S | S | * | * | trans | -117.3 | 146.4 | 169.6 | -148.2 | -10.2 | 0 | 0 | 0 | 112 | ||||
| 202 | R | 29.8 | Very low | 36.6 | Very low | 228 Ų | 228 | 135.7 Ų | 135.7 | 86% | 0.86 | 74% | 0.736 | S | S | * | * | trans | -87.9 | 154.9 | -167.2 | -154.6 | 177.1 | -170.6 | -168.2 | 3.6 | 111.2 | ||||
| 203 | S | 30.4 | Very low | 35.2 | Very low | 76 Ų | 76 | 139.3 Ų | 139.3 | 53% | 0.531 | 75% | 0.749 | S | S | . | * | trans | -47.8 | 148.5 | -178.5 | 46.3 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 204 | H | 30.2 | Very low | 34.6 | Very low | 172 Ų | 172 | 143.9 Ų | 143.9 | 80% | 0.796 | 78% | 0.779 | S | S | * | * | -174.3 | 177.6 | 97.8 | -94.3 | -67.2 | 0 | 0 | 0 | 113.6 | |||||
| 205 | Q | 28.4 | Very low | 33.3 | Very low | 172 Ų | 172 | 145.9 Ų | 145.9 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | -104.9 | 169.5 | -155.7 | -61.8 | 167.5 | -34.7 | 0 | 0 | 115.2 | ||||
| 206 | S | 27.5 | Very low | 32.2 | Very low | 104 Ų | 104 | 145.1 Ų | 145.1 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | trans | 97.9 | 120.1 | 134.8 | 79.1 | 0 | 0 | 0 | 0 | 122 | ||||
| 207 | S | 29.1 | Very low | 31.9 | Very low | 118 Ų | 118 | 141.6 Ų | 141.6 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | trans | 58.4 | 129.6 | 134.8 | 65 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 208 | G | 27.5 | Very low | 31.3 | Very low | 81 Ų | 81 | 139.9 Ų | 139.9 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | trans | 155.8 | 125.9 | 150.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 209 | K | 33.1 | Very low | 31.5 | Very low | 200 Ų | 200 | 140.2 Ų | 140.2 | 87% | 0.87 | 79% | 0.793 | S | S | * | * | trans | -91.9 | 137.5 | 172.6 | -62.8 | 171 | 176.6 | 174.5 | 0 | 110.5 | ||||
| 210 | R | 27.3 | Very low | 31.5 | Very low | 246 Ų | 246 | 136.6 Ų | 136.6 | 93% | 0.928 | 79% | 0.792 | S | S | * | * | 154.1 | 154.1 | 121.5 | -85.1 | -175.9 | 177.6 | -135.2 | -0.6 | 113.6 | |||||
| 211 | S | 34.6 | Very low | 31.2 | Very low | 119 Ų | 119 | 135.5 Ų | 135.5 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | trans | -54.7 | 134.1 | 178.3 | 175.5 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 212 | S | 25 | Very low | 31.5 | Very low | 105 Ų | 105 | 133.5 Ų | 133.5 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | 178.1 | 141 | 118.4 | 52.2 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 213 | N | 34 | Very low | 31.7 | Very low | 159 Ų | 159 | 125.8 Ų | 125.8 | 85% | 0.85 | 78% | 0.779 | S | S | * | * | trans | -95.9 | 158.1 | 158.1 | -74.8 | -4.2 | 0 | 0 | 0 | 107.1 | ||||
| 214 | P | 46.9 | Very low | 32.2 | Very low | 122 Ų | 122 | 128.9 Ų | 128.9 | 79% | 0.792 | 80% | 0.797 | S | S | * | * | cis | -153.9 | 178.1 | 39 | 44.2 | -23.3 | 0 | 0 | 0 | 119.7 | ||||
| 215 | S | 28.9 | Very low | 32.6 | Very low | 104 Ų | 104 | 124.6 Ų | 124.6 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | trans | 86.9 | 150.9 | 138.3 | -144.8 | 0 | 0 | 0 | 0 | 123 | ||||
| 216 | T | 27.2 | Very low | 33.3 | Very low | 124 Ų | 124 | 119.7 Ų | 119.7 | 76% | 0.761 | 78% | 0.775 | S | S | * | * | trans | 71.1 | 132.8 | 168.5 | 4.6 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 217 | V | 30.5 | Very low | 34.1 | Very low | 123 Ų | 123 | 122.8 Ų | 122.8 | 75% | 0.745 | 78% | 0.778 | S | S | * | * | cis | -143 | 124.9 | 23.1 | -174.9 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 218 | A | 29 | Very low | 35.2 | Very low | 86 Ų | 86 | 123.8 Ų | 123.8 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | 59.2 | 160.9 | 77.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 219 | P | 43 | Very low | 36.1 | Very low | 110 Ų | 110 | 126.1 Ų | 126.1 | 71% | 0.714 | 77% | 0.767 | S | S | * | * | cis | -136.9 | 161.2 | -17.4 | 32.4 | -11.3 | 0 | 0 | 0 | 117 | ||||
| 220 | S | 31.8 | Very low | 36.9 | Very low | 118 Ų | 118 | 123.9 Ų | 123.9 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | trans | 30.2 | 129 | 136.9 | -45.6 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 221 | S | 32.9 | Very low | 37.7 | Very low | 110 Ų | 110 | 120.4 Ų | 120.4 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | -160.1 | 102.8 | 122.6 | 64.1 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 222 | S | 35.3 | Very low | 38.4 | Very low | 126 Ų | 126 | 122.1 Ų | 122.1 | 88% | 0.881 | 76% | 0.764 | S | S | * | * | trans | 41.3 | 109.6 | 146.7 | 58.8 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 223 | G | 32.2 | Very low | 39.7 | Very low | 67 Ų | 67 | 120.9 Ų | 120.9 | 69% | 0.691 | 76% | 0.76 | S | S | * | * | trans | -143.9 | 159.6 | 152.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 224 | P | 41.4 | Very low | 40.2 | Very low | 141 Ų | 141 | 116.7 Ų | 116.7 | 92% | 0.916 | 74% | 0.742 | S | S | * | * | trans | -72 | 143.4 | -152.1 | 28.3 | -36 | 0 | 0 | 0 | 115.5 | ||||
| 225 | A | 39.2 | Very low | 40 | Very low | 82 Ų | 82 | 117.6 Ų | 117.6 | 68% | 0.678 | 74% | 0.735 | S | S | * | * | trans | -91.9 | 114.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | H227 | A225-H227 PolarHBondContact O-ND1 3.19Š| ||
| 226 | C | 42.5 | Very low | 40.6 | Very low | 69 Ų | 69 | 119.2 Ų | 119.2 | 47% | 0.466 | 73% | 0.731 | S | S | . | * | trans | -69.2 | 127.4 | 166.4 | 56.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 227 | H | 45.3 | Very low | 41.5 | Very low | 169 Ų | 169 | 120 Ų | 120 | 78% | 0.782 | 73% | 0.729 | S | S | * | * | trans | -96.5 | 96 | 178 | -78.6 | 41.5 | 0 | 0 | 0 | 110.4 | A225 | A225-H227 PolarHBondContact O-ND1 3.19Š| ||
| 228 | H | 51.7 | Low | 42 | Very low | 138 Ų | 138 | 119.1 Ų | 119.1 | 64% | 0.639 | 72% | 0.724 | S | S | * | * | trans | -126.7 | 119 | 164.7 | -61.4 | -66.2 | 0 | 0 | 0 | 108.8 | ||||
| 229 | V | 46.8 | Very low | 42.5 | Very low | 130 Ų | 130 | 123.1 Ų | 123.1 | 79% | 0.788 | 73% | 0.728 | S | S | * | * | trans | -89.6 | 124.9 | 173.7 | 178.1 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 230 | D | 48.9 | Very low | 42.7 | Very low | 154 Ų | 154 | 127.4 Ų | 127.4 | 82% | 0.824 | 74% | 0.738 | S | S | * | * | S | Bend | trans | 61.1 | 42.7 | 167.1 | -58.6 | -15.8 | 0 | 0 | 0 | 119.1 | ||
| 231 | Q | 43.7 | Very low | 43.3 | Very low | 172 Ų | 172 | 126.8 Ų | 126.8 | 80% | 0.804 | 73% | 0.729 | S | S | * | * | trans | -135.1 | 130.3 | 152.5 | -68.9 | -166 | 44.3 | 0 | 0 | 112.3 | A233 | Q231-A233 PolarHBondContact O-N 2.91Š| ||
| 232 | V | 51.2 | Low | 44 | Very low | 156 Ų | 156 | 127.8 Ų | 127.8 | 95% | 0.945 | 72% | 0.717 | S | S | * | * | trans | -94.5 | 83.7 | -175.9 | -177.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 233 | A | 50.6 | Low | 45 | Very low | 78 Ų | 78 | 128.3 Ų | 128.3 | 65% | 0.645 | 71% | 0.714 | S | S | * | * | trans | 174.5 | 94.6 | 150.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q231 | Q231-A233 PolarHBondContact O-N 2.91Š| ||
| 234 | C | 45.4 | Very low | 46.1 | Very low | 71 Ų | 71 | 129.8 Ų | 129.8 | 48% | 0.48 | 71% | 0.706 | S | S | . | * | trans | -116.6 | 103.3 | 166.4 | -60 | 0 | 0 | 0 | 0 | 109.1 | H236 | C234-H236 PolarHBondContact O-N 3.26Š| ||
| 235 | H | 41.9 | Very low | 47.3 | Very low | 141 Ų | 141 | 128.6 Ų | 128.6 | 65% | 0.653 | 69% | 0.686 | S | S | * | * | trans | -78.6 | 104.9 | 174.1 | -76.4 | -89.1 | 0 | 0 | 0 | 110.2 | ||||
| 236 | H | 42.8 | Very low | 48.7 | Very low | 138 Ų | 138 | 129.6 Ų | 129.6 | 64% | 0.639 | 68% | 0.684 | S | S | * | * | trans | -100.4 | 106.5 | 158.4 | -71.3 | 100.1 | 0 | 0 | 0 | 108.2 | C234 V238 | C234-H236 PolarHBondContact O-N 3.26Å; H236-V238 PolarHBondContact O-N 3.42Å | ||
| 237 | I | 45.8 | Very low | 49.8 | Very low | 141 Ų | 141 | 129.8 Ų | 129.8 | 72% | 0.723 | 68% | 0.683 | S | S | * | * | trans | -81.6 | 110.3 | 167.3 | -60.4 | 173.6 | 0 | 0 | 0 | 106.5 | ||||
| 238 | V | 41.6 | Very low | 51 | Low | 105 Ų | 105 | 126.5 Ų | 126.5 | 64% | 0.636 | 67% | 0.667 | S | S | * | * | trans | -121.6 | 112 | 165.9 | -178.3 | 0 | 0 | 0 | 0 | 106.2 | H236 | H236-V238 PolarHBondContact O-N 3.42Š| ||
| 239 | E | 39.5 | Very low | 52.1 | Low | 170 Ų | 170 | 121.8 Ų | 121.8 | 79% | 0.794 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 49.1 | 69.2 | 168.9 | -61.3 | 179.7 | 176.9 | 0 | 0 | 115.3 | V241 | E239-V241 PolarHBondContact O-N 3.1Š|
| 240 | E | 46 | Very low | 53.2 | Low | 199 Ų | 199 | 120.6 Ų | 120.6 | 93% | 0.93 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 53.6 | 5.1 | 161.1 | -61.4 | -170.2 | 160.5 | 0 | 0 | 118.9 | ||
| 241 | V | 45.5 | Very low | 54.2 | Low | 105 Ų | 105 | 116.1 Ų | 116.1 | 64% | 0.636 | 62% | 0.617 | S | S | * | * | trans | -111 | 106.1 | 176.4 | -178.1 | 0 | 0 | 0 | 0 | 109.5 | E239 V243 | E239-V241 PolarHBondContact O-N 3.1Å; V241-V243 VanDerWaalsContact C-N 3.31Å; V241-V243 PolarHBondContact O-N 2.83Å | ||
| 242 | W | 47.7 | Very low | 55.8 | Low | 132 Ų | 132 | 113 Ų | 113 | 50% | 0.5 | 60% | 0.602 | S | S | . | * | trans | -61.9 | 94.4 | 164.5 | -95.8 | 45.4 | 0 | 0 | 0 | 109.6 | N244 K245 F248 | W242-N244 PolarHBondContact O-N 2.79Å; W242-K245 HydrophobicContact CB-CB 4.15Å; W242-K245 PolarHBondContact O-N 3.25Å; W242-F248 HydrophobicContact CE3-CB 4.3Å; W242-F248 HydrophobicContact CE3-CG 4.43Å; W242-F248 HydrophobicContact CH2-CD2 4.16Å; W242-F248 HydrophobicContact CH2-CE2 4.24Å; W242-F248 HydrophobicContact CH2-CG 4.37Å; W242-F248 HydrophobicContact CZ3-CB 3.82Å; W242-F248 AromaticContact CZ3-CD1 3.96Å; W242-F248 HydrophobicContact CZ3-CD1 3.96Å; W242-F248 AromaticContact CZ3-CD2 3.69Å; W242-F248 HydrophobicContact CZ3-CD2 3.69Å; W242-F248 HydrophobicContact CZ3-CE1 4.45Å; W242-F248 HydrophobicContact CZ3-CE2 4.2Å; W242-F248 AromaticContact CZ3-CG 3.55Å; W242-F248 HydrophobicContact CZ3-CG 3.55Å | ||
| 243 | V | 54.8 | Low | 56.8 | Low | 137 Ų | 137 | 112.2 Ų | 112.2 | 83% | 0.83 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.4 | -21.7 | -177.5 | -179.3 | 0 | 0 | 0 | 0 | 112.8 | V241 | V241-V243 VanDerWaalsContact C-N 3.31Å; V241-V243 PolarHBondContact O-N 2.83Å |
| 244 | N | 55.6 | Low | 57.6 | Low | 98 Ų | 98 | 116.5 Ų | 116.5 | 52% | 0.524 | 58% | 0.582 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -124 | 26.5 | -178.5 | -119 | -9.2 | 0 | 0 | 0 | 115 | W242 T246 T247 F248 | W242-N244 PolarHBondContact O-N 2.79Å; N244-T246 PolarHBondContact O-N 3.23Å; N244-T246 VanDerWaalsContact O-N 3.13Å; N244-T247 WeakPolarHBondContact CB-OG1 3.21Å; N244-T247 PolarHBondContact O-N 3.31Å; N244-T247 PolarHBondContact O-OG1 3.39Å; N244-T247 VanDerWaalsContact OD1-CG2 3.25Å; N244-T247 WeakPolarHBondContact OD1-CG2 3.32Å; N244-T247 PolarHBondContact OD1-OG1 2.78Å; N244-F248 PolarHBondContact O-N 3.27Å |
| 245 | K | 66.8 | Low | 59 | Low | 115 Ų | 115 | 120.6 Ų | 120.6 | 50% | 0.5 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -47.8 | -43.3 | 179 | -168.7 | -169.7 | -175 | -50.6 | 0 | 113.2 | W242 T247 F248 D249 | W242-K245 HydrophobicContact CB-CB 4.15Å; W242-K245 PolarHBondContact O-N 3.25Å; K245-T247 VanDerWaalsContact C-N 3.31Å; K245-T247 PolarHBondContact O-N 3.18Å; K245-F248 PolarHBondContact O-N 3.43Å; K245-D249 IonicContact NZ-OD1 2.81Å; K245-D249 PolarHBondContact NZ-OD1 2.82Å; K245-D249 IonicContact NZ-OD2 2.9Å; K245-D249 PolarHBondContact NZ-OD2 3.27Å; K245-D249 WeakPolarHBondContact O-CB 3.4Å; K245-D249 PolarHBondContact O-N 2.84Å |
| 246 | T | 69.4 | Low | 60.5 | Low | 103 Ų | 103 | 118 Ų | 118 | 63% | 0.632 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -62.4 | -34 | 179.6 | 50.6 | 0 | 0 | 0 | 0 | 113.6 | N244 Q250 | N244-T246 PolarHBondContact O-N 3.23Å; N244-T246 VanDerWaalsContact O-N 3.13Å; T246-Q250 VanDerWaalsContact O-CB 3.25Å; T246-Q250 WeakPolarHBondContact O-CB 3.3Å; T246-Q250 PolarHBondContact O-N 2.8Å; T246-Q250 VanDerWaalsContact O-N 3.09Å |
| 247 | T | 65.8 | Low | 61.9 | Low | 73 Ų | 73 | 118.4 Ų | 118.4 | 45% | 0.448 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -75 | -34.2 | 176.4 | 64 | 0 | 0 | 0 | 0 | 112.2 | N244 K245 Q250 A251 | N244-T247 WeakPolarHBondContact CB-OG1 3.21Å; N244-T247 PolarHBondContact O-N 3.31Å; N244-T247 PolarHBondContact O-OG1 3.39Å; N244-T247 VanDerWaalsContact OD1-CG2 3.25Å; N244-T247 WeakPolarHBondContact OD1-CG2 3.32Å; N244-T247 PolarHBondContact OD1-OG1 2.78Å; K245-T247 VanDerWaalsContact C-N 3.31Å; K245-T247 PolarHBondContact O-N 3.18Å; T247-Q250 WeakPolarHBondContact O-CB 3.44Å; T247-Q250 PolarHBondContact O-N 2.74Å; T247-A251 WeakPolarHBondContact O-CB 3.44Å; T247-A251 PolarHBondContact O-N 3.47Å |
| 248 | F | 70.2 | Confident | 62.7 | Low | 100 Ų | 100 | 115 Ų | 115 | 44% | 0.439 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -68.1 | -51.6 | 172.8 | -177.2 | -94.2 | 0 | 0 | 0 | 111.3 | W242 N244 K245 Q250 A251 E252 | W242-F248 HydrophobicContact CE3-CB 4.3Å; W242-F248 HydrophobicContact CE3-CG 4.43Å; W242-F248 HydrophobicContact CH2-CD2 4.16Å; W242-F248 HydrophobicContact CH2-CE2 4.24Å; W242-F248 HydrophobicContact CH2-CG 4.37Å; W242-F248 HydrophobicContact CZ3-CB 3.82Å; W242-F248 AromaticContact CZ3-CD1 3.96Å; W242-F248 HydrophobicContact CZ3-CD1 3.96Å; W242-F248 AromaticContact CZ3-CD2 3.69Å; W242-F248 HydrophobicContact CZ3-CD2 3.69Å; W242-F248 HydrophobicContact CZ3-CE1 4.45Å; W242-F248 HydrophobicContact CZ3-CE2 4.2Å; W242-F248 AromaticContact CZ3-CG 3.55Å; W242-F248 HydrophobicContact CZ3-CG 3.55Å; N244-F248 PolarHBondContact O-N 3.27Å; K245-F248 PolarHBondContact O-N 3.43Å; F248-Q250 PolarHBondContact O-N 3.4Å; F248-A251 WeakPolarHBondContact O-CA 3.42Å; F248-A251 PolarHBondContact O-N 2.9Å; F248-E252 WeakPolarHBondContact O-CB 3.17Å; F248-E252 PolarHBondContact O-N 2.89Å |
| 249 | D | 74.2 | Confident | 63.6 | Low | 40 Ų | 40 | 113.6 Ų | 113.6 | 21% | 0.214 | 58% | 0.582 | C | S | . | * | H | α-helix | trans | -56.5 | -28.4 | 175 | -61.5 | -5.8 | 0 | 0 | 0 | 111.5 | K245 R253 | K245-D249 IonicContact NZ-OD1 2.81Å; K245-D249 PolarHBondContact NZ-OD1 2.82Å; K245-D249 IonicContact NZ-OD2 2.9Å; K245-D249 PolarHBondContact NZ-OD2 3.27Å; K245-D249 WeakPolarHBondContact O-CB 3.4Å; K245-D249 PolarHBondContact O-N 2.84Å; D249-R253 WeakPolarHBondContact O-CB 3.35Å; D249-R253 VanDerWaalsContact O-CG 3.31Å; D249-R253 WeakPolarHBondContact O-CG 3.49Å; D249-R253 PolarHBondContact O-N 2.99Å; D249-R253 PolarHBondContact O-NE 3.37Å |
| 250 | Q | 69.7 | Low | 64.4 | Low | 105 Ų | 105 | 108.6 Ų | 108.6 | 49% | 0.491 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -76.3 | -40.4 | 174.5 | -170.5 | 95.4 | 79.7 | 0 | 0 | 112.1 | T246 T247 F248 R254 | T246-Q250 VanDerWaalsContact O-CB 3.25Å; T246-Q250 WeakPolarHBondContact O-CB 3.3Å; T246-Q250 PolarHBondContact O-N 2.8Å; T246-Q250 VanDerWaalsContact O-N 3.09Å; T247-Q250 WeakPolarHBondContact O-CB 3.44Å; T247-Q250 PolarHBondContact O-N 2.74Å; F248-Q250 PolarHBondContact O-N 3.4Å; Q250-R254 WeakPolarHBondContact O-CB 3.34Å; Q250-R254 VanDerWaalsContact O-CG 3.25Å; Q250-R254 WeakPolarHBondContact O-CG 3.32Å; Q250-R254 PolarHBondContact O-N 3.05Å; Q250-R254 VanDerWaalsContact O-N 3.08Å |
| 251 | A | 70.9 | Confident | 64.9 | Low | 60 Ų | 60 | 104.5 Ų | 104.5 | 50% | 0.496 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -68.6 | -44.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | T247 F248 R254 F255 | T247-A251 WeakPolarHBondContact O-CB 3.44Å; T247-A251 PolarHBondContact O-N 3.47Å; F248-A251 WeakPolarHBondContact O-CA 3.42Å; F248-A251 PolarHBondContact O-N 2.9Å; A251-R254 WeakPolarHBondContact O-CB 3.19Å; A251-R254 PolarHBondContact O-N 3.04Å; A251-F255 WeakPolarHBondContact O-CB 3.02Å; A251-F255 PolarHBondContact O-N 3.23Å |
| 252 | E | 76.6 | Confident | 65.2 | Low | 105 Ų | 105 | 105.7 Ų | 105.7 | 49% | 0.491 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -59.2 | -48.8 | 174.5 | -176.6 | -177.5 | -144.8 | 0 | 0 | 111.2 | F248 R254 F255 V256 | F248-E252 WeakPolarHBondContact O-CB 3.17Å; F248-E252 PolarHBondContact O-N 2.89Å; E252-R254 VanDerWaalsContact C-N 3.31Å; E252-R254 PolarHBondContact O-N 3.4Å; E252-F255 WeakPolarHBondContact O-CB 3.34Å; E252-F255 PolarHBondContact O-N 3.11Å; E252-F255 VanDerWaalsContact O-N 3.12Å; E252-V256 WeakPolarHBondContact O-CG2 3.35Å; E252-V256 PolarHBondContact O-N 2.88Å |
| 253 | R | 72.4 | Confident | 65 | Low | 140 Ų | 140 | 105 Ų | 105 | 53% | 0.528 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -59 | -40.6 | 174.3 | -80.8 | 177.7 | -69 | 179.3 | -1.6 | 112.6 | D249 F255 V256 E257 | D249-R253 WeakPolarHBondContact O-CB 3.35Å; D249-R253 VanDerWaalsContact O-CG 3.31Å; D249-R253 WeakPolarHBondContact O-CG 3.49Å; D249-R253 PolarHBondContact O-N 2.99Å; D249-R253 PolarHBondContact O-NE 3.37Å; R253-F255 VanDerWaalsContact C-N 3.33Å; R253-V256 PolarHBondContact O-N 3.14Å; R253-E257 WeakPolarHBondContact O-CB 3.45Å; R253-E257 PolarHBondContact O-N 3.26Å |
| 254 | R | 67.8 | Low | 64.4 | Low | 169 Ų | 169 | 102.5 Ų | 102.5 | 64% | 0.638 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -66.1 | -34.4 | 175.9 | -75.9 | -72.9 | -174 | 76.4 | 2.1 | 112.8 | Q250 A251 E252 G258 | Q250-R254 WeakPolarHBondContact O-CB 3.34Å; Q250-R254 VanDerWaalsContact O-CG 3.25Å; Q250-R254 WeakPolarHBondContact O-CG 3.32Å; Q250-R254 PolarHBondContact O-N 3.05Å; Q250-R254 VanDerWaalsContact O-N 3.08Å; A251-R254 WeakPolarHBondContact O-CB 3.19Å; A251-R254 PolarHBondContact O-N 3.04Å; E252-R254 VanDerWaalsContact C-N 3.31Å; E252-R254 PolarHBondContact O-N 3.4Å; R254-G258 PolarHBondContact O-N 2.75Å |
| 255 | F | 73.6 | Confident | 63.7 | Low | 157 Ų | 157 | 103.8 Ų | 103.8 | 69% | 0.689 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -68.2 | -49.7 | 174.4 | 179.6 | -100.1 | 0 | 0 | 0 | 111.1 | A251 E252 R253 E257 G258 S259 | A251-F255 WeakPolarHBondContact O-CB 3.02Å; A251-F255 PolarHBondContact O-N 3.23Å; E252-F255 WeakPolarHBondContact O-CB 3.34Å; E252-F255 PolarHBondContact O-N 3.11Å; E252-F255 VanDerWaalsContact O-N 3.12Å; R253-F255 VanDerWaalsContact C-N 3.33Å; F255-E257 PolarHBondContact O-N 3.49Å; F255-G258 PolarHBondContact O-N 2.84Å; F255-S259 VanDerWaalsContact O-CB 3.31Å; F255-S259 WeakPolarHBondContact O-CB 3.27Å; F255-S259 PolarHBondContact O-N 3.49Å; F255-S259 PolarHBondContact O-OG 2.79Å |
| 256 | V | 73.7 | Confident | 62.5 | Low | 86 Ų | 86 | 106 Ų | 106 | 52% | 0.521 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -59.4 | -49.1 | 176.5 | 173.5 | 0 | 0 | 0 | 0 | 111.2 | E252 R253 G258 S259 A260 | E252-V256 WeakPolarHBondContact O-CG2 3.35Å; E252-V256 PolarHBondContact O-N 2.88Å; R253-V256 PolarHBondContact O-N 3.14Å; V256-G258 VanDerWaalsContact C-N 3.31Å; V256-G258 PolarHBondContact O-N 3.5Å; V256-S259 WeakPolarHBondContact CA-OG 3.39Å; V256-S259 PolarHBondContact O-N 2.9Å; V256-S259 VanDerWaalsContact O-N 3.12Å; V256-S259 PolarHBondContact O-OG 3.23Å; V256-A260 PolarHBondContact O-N 3.09Å |
| 257 | E | 72.2 | Confident | 61 | Low | 146 Ų | 146 | 106 Ų | 106 | 68% | 0.682 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -65.8 | -30.7 | 180 | -166.9 | 170.6 | -125.1 | 0 | 0 | 112.5 | R253 F255 | R253-E257 WeakPolarHBondContact O-CB 3.45Å; R253-E257 PolarHBondContact O-N 3.26Å; F255-E257 PolarHBondContact O-N 3.49Å |
| 258 | G | 62.2 | Low | 59.5 | Low | 69 Ų | 69 | 110.3 Ų | 110.3 | 71% | 0.711 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -80.6 | -19.3 | 172 | 0 | 0 | 0 | 0 | 0 | 115 | R254 F255 V256 | R254-G258 PolarHBondContact O-N 2.75Å; F255-G258 PolarHBondContact O-N 2.84Å; V256-G258 VanDerWaalsContact C-N 3.31Å; V256-G258 PolarHBondContact O-N 3.5Å |
| 259 | S | 60.4 | Low | 57.7 | Low | 76 Ų | 76 | 112.4 Ų | 112.4 | 53% | 0.531 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -90.8 | -9.3 | 178.8 | 72.5 | 0 | 0 | 0 | 0 | 114.1 | F255 V256 | F255-S259 VanDerWaalsContact O-CB 3.31Å; F255-S259 WeakPolarHBondContact O-CB 3.27Å; F255-S259 PolarHBondContact O-N 3.49Å; F255-S259 PolarHBondContact O-OG 2.79Å; V256-S259 WeakPolarHBondContact CA-OG 3.39Å; V256-S259 PolarHBondContact O-N 2.9Å; V256-S259 VanDerWaalsContact O-N 3.12Å; V256-S259 PolarHBondContact O-OG 3.23Å |
| 260 | A | 56.8 | Low | 55.7 | Low | 66 Ų | 66 | 117.8 Ų | 117.8 | 55% | 0.545 | 68% | 0.678 | S | S | . | * | S | Bend | trans | -71.9 | 125.9 | -180 | 0 | 0 | 0 | 0 | 0 | 111.5 | V256 | V256-A260 PolarHBondContact O-N 3.09Š|
| 261 | P | 57 | Low | 53.9 | Low | 113 Ų | 113 | 118 Ų | 118 | 73% | 0.734 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -70 | 148.2 | 178.1 | 28.9 | -34.6 | 0 | 0 | 0 | 111.5 | S263 | P261-S263 PolarHBondContact O-N 2.76Š|
| 262 | P | 51 | Low | 52.4 | Low | 130 Ų | 130 | 120.9 Ų | 120.9 | 84% | 0.844 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 125 | 179.1 | 27 | -33.9 | 0 | 0 | 0 | 111 | ||
| 263 | S | 43.4 | Very low | 50.6 | Low | 116 Ų | 116 | 121.3 Ų | 121.3 | 81% | 0.811 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 132.7 | 176.6 | 48.8 | 0 | 0 | 0 | 0 | 111.5 | P261 | P261-S263 PolarHBondContact O-N 2.76Š|
| 264 | A | 41.8 | Very low | 48.6 | Very low | 85 Ų | 85 | 120.1 Ų | 120.1 | 70% | 0.702 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 141.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | N266 | A264-N266 PolarHBondContact O-N 3.14Š|
| 265 | P | 42.9 | Very low | 46.8 | Very low | 125 Ų | 125 | 118.6 Ų | 118.6 | 81% | 0.812 | 73% | 0.73 | S | S | * | * | trans | -75.9 | 108.5 | -178.7 | 30.1 | -33.6 | 0 | 0 | 0 | 111.1 | ||||
| 266 | N | 41.2 | Very low | 44.6 | Very low | 161 Ų | 161 | 123 Ų | 123 | 86% | 0.861 | 74% | 0.742 | S | S | * | * | trans | -85.5 | 139.3 | 162.1 | -81.5 | -35.2 | 0 | 0 | 0 | 109.9 | A264 | A264-N266 PolarHBondContact O-N 3.14Š| ||
| 267 | S | 36.8 | Very low | 42.4 | Very low | 103 Ų | 103 | 124.7 Ų | 124.7 | 72% | 0.72 | 76% | 0.758 | S | S | * | * | trans | 78.5 | 104.9 | -175.5 | -156.3 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 268 | L | 34.1 | Very low | 40.3 | Very low | 164 Ų | 164 | 121.7 Ų | 121.7 | 86% | 0.859 | 77% | 0.766 | S | S | * | * | trans | -102.1 | 107.1 | 152.5 | -76.4 | 177.6 | 0 | 0 | 0 | 107.9 | ||||
| 269 | D | 33.7 | Very low | 38.7 | Very low | 145 Ų | 145 | 122.9 Ų | 122.9 | 78% | 0.775 | 77% | 0.769 | S | S | * | * | trans | -90.3 | 118.9 | 175 | -156.5 | -3.3 | 0 | 0 | 0 | 108.5 | ||||
| 270 | L | 32.2 | Very low | 37.3 | Very low | 152 Ų | 152 | 124.2 Ų | 124.2 | 80% | 0.796 | 78% | 0.779 | S | S | * | * | trans | -128 | 108.1 | -176.8 | -70.1 | 179.7 | 0 | 0 | 0 | 110.8 | ||||
| 271 | S | 31 | Very low | 36 | Very low | 111 Ų | 111 | 132.3 Ų | 132.3 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | trans | -85.7 | 145.7 | 169.1 | -71 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 272 | P | 40.3 | Very low | 35.1 | Very low | 120 Ų | 120 | 133 Ų | 133 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | trans | -96.3 | 172.7 | -162.5 | 38.5 | -38.5 | 0 | 0 | 0 | 114.4 | ||||
| 273 | P | 38.5 | Very low | 34.6 | Very low | 114 Ų | 114 | 132.3 Ų | 132.3 | 74% | 0.74 | 79% | 0.793 | S | S | * | * | trans | -133 | 128.7 | 138.6 | 31.8 | -17.5 | 0 | 0 | 0 | 115.1 | ||||
| 274 | T | 29.7 | Very low | 33.9 | Very low | 115 Ų | 115 | 133.5 Ų | 133.5 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | 76.8 | 95.8 | 129 | -52 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 275 | N | 30.2 | Very low | 34 | Very low | 137 Ų | 137 | 138.2 Ų | 138.2 | 73% | 0.733 | 80% | 0.798 | S | S | * | * | 64.7 | 106.5 | 127.7 | -74.1 | -9.8 | 0 | 0 | 0 | 121.3 | |||||
| 276 | W | 26.7 | Very low | 33.4 | Very low | 248 Ų | 248 | 136.2 Ų | 136.2 | 94% | 0.939 | 80% | 0.799 | S | S | * | * | -170.4 | 151 | 96.1 | -100.9 | 6.8 | 0 | 0 | 0 | 115.7 | |||||
| 277 | S | 28.6 | Very low | 33 | Very low | 123 Ų | 123 | 139.3 Ų | 139.3 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | trans | -55.2 | 147.9 | -175.1 | -40.2 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 278 | G | 28 | Very low | 32.7 | Very low | 83 Ų | 83 | 142.6 Ų | 142.6 | 86% | 0.856 | 81% | 0.805 | S | S | * | * | trans | 175 | 131.6 | 162.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 279 | A | 28.5 | Very low | 32.7 | Very low | 93 Ų | 93 | 139.5 Ų | 139.5 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | trans | -113.4 | 151 | -170.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 280 | S | 30.4 | Very low | 32.6 | Very low | 105 Ų | 105 | 141.1 Ų | 141.1 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | trans | 83.4 | 145.5 | 142.7 | 82.3 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 281 | R | 31 | Very low | 32.7 | Very low | 235 Ų | 235 | 138 Ų | 138 | 89% | 0.887 | 80% | 0.796 | S | S | * | * | trans | 78.4 | 119.2 | 154.5 | -67.7 | -177.5 | -170.1 | -139.4 | 1.4 | 120.3 | ||||
| 282 | T | 36.3 | Very low | 33 | Very low | 128 Ų | 128 | 138.8 Ų | 138.8 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | trans | -59.5 | 165.5 | 142 | 49.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 283 | P | 40.4 | Very low | 32.7 | Very low | 116 Ų | 116 | 139.3 Ų | 139.3 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | cis | -144.2 | -174.4 | 24.5 | 44.8 | -24.9 | 0 | 0 | 0 | 116.4 | ||||
| 284 | D | 30 | Very low | 32.7 | Very low | 141 Ų | 141 | 139.6 Ų | 139.6 | 75% | 0.754 | 80% | 0.802 | S | S | * | * | trans | 33.4 | 147 | 140.5 | -145.7 | 15.5 | 0 | 0 | 0 | 124.9 | ||||
| 285 | E | 42.7 | Very low | 32.7 | Very low | 184 Ų | 184 | 138.7 Ų | 138.7 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | trans | 39.3 | 120.2 | 165.8 | -81.2 | -178.8 | 176.4 | 0 | 0 | 121.7 | ||||
| 286 | G | 30.7 | Very low | 32.9 | Very low | 82 Ų | 82 | 138.8 Ų | 138.8 | 85% | 0.845 | 81% | 0.812 | S | S | * | * | trans | -170.8 | 120.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 287 | Y | 32.8 | Very low | 33.5 | Very low | 227 Ų | 227 | 132.7 Ų | 132.7 | 89% | 0.89 | 80% | 0.804 | S | S | * | * | trans | -82.2 | 164.2 | -177.7 | -113.8 | -104.8 | 0 | 0 | 0 | 114.5 | ||||
| 288 | Q | 31.6 | Very low | 33.5 | Very low | 171 Ų | 171 | 132.8 Ų | 132.8 | 80% | 0.799 | 80% | 0.799 | S | S | * | * | trans | 74 | 127.8 | 158.3 | -66.7 | 174.1 | 23.9 | 0 | 0 | 121.8 | ||||
| 289 | S | 33.2 | Very low | 33.6 | Very low | 100 Ų | 100 | 134.7 Ų | 134.7 | 70% | 0.699 | 79% | 0.794 | S | S | * | * | 165.3 | 154 | 121.4 | -77.3 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 290 | Q | 32.2 | Very low | 33.5 | Very low | 178 Ų | 178 | 138.4 Ų | 138.4 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | cis | -163.6 | 159.1 | -16.6 | -106 | 170.7 | 65.4 | 0 | 0 | 106.8 | ||||
| 291 | A | 33.8 | Very low | 33.6 | Very low | 88 Ų | 88 | 142.2 Ų | 142.2 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | trans | -81.6 | 162.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 292 | P | 36.9 | Very low | 33.4 | Very low | 127 Ų | 127 | 135.9 Ų | 135.9 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | -145 | 156.4 | 91.7 | 37.2 | -21.3 | 0 | 0 | 0 | 116.5 | |||||
| 293 | T | 34.7 | Very low | 33.1 | Very low | 130 Ų | 130 | 135 Ų | 135 | 80% | 0.798 | 81% | 0.805 | S | S | * | * | trans | -73.2 | 161.5 | 175.4 | -22.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 294 | P | 37.8 | Very low | 32.4 | Very low | 121 Ų | 121 | 132.8 Ų | 132.8 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | -142.6 | 148.5 | 114 | 36.8 | -23.8 | 0 | 0 | 0 | 117.2 | |||||
| 295 | A | 30.7 | Very low | 32.6 | Very low | 96 Ų | 96 | 132.8 Ų | 132.8 | 79% | 0.793 | 81% | 0.809 | S | S | * | * | trans | 55 | 115.7 | 149.3 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 296 | T | 34.4 | Very low | 32.3 | Very low | 139 Ų | 139 | 129.4 Ų | 129.4 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | trans | -85.2 | 158.7 | 156.9 | 3.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 297 | P | 38.8 | Very low | 32 | Very low | 119 Ų | 119 | 129.8 Ų | 129.8 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | -139.4 | 122.3 | 124.4 | 34.6 | -21.2 | 0 | 0 | 0 | 115.6 | |||||
| 298 | V | 28.5 | Very low | 31.9 | Very low | 126 Ų | 126 | 123.8 Ų | 123.8 | 76% | 0.764 | 79% | 0.789 | S | S | * | * | 39.6 | 112.1 | 126.2 | 177.9 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 299 | V | 29.3 | Very low | 32.3 | Very low | 122 Ų | 122 | 126.5 Ų | 126.5 | 74% | 0.739 | 79% | 0.792 | S | S | * | * | trans | 63.2 | 136.7 | 137.5 | 179.9 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 300 | Q | 27.9 | Very low | 32.5 | Very low | 172 Ų | 172 | 130.8 Ų | 130.8 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | cis | -156.1 | 175.4 | 37.5 | -152.6 | 151.8 | -15.7 | 0 | 0 | 113.6 | ||||
| 301 | Q | 32.6 | Very low | 32.8 | Very low | 184 Ų | 184 | 127.4 Ų | 127.4 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | trans | -62.8 | 143.3 | 172.7 | -64.3 | 162.7 | -42.3 | 0 | 0 | 114.3 | ||||
| 302 | A | 25.4 | Very low | 33.2 | Very low | 102 Ų | 102 | 130.6 Ų | 130.6 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | trans | -162 | 150.5 | 144 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 303 | A | 30.6 | Very low | 33.3 | Very low | 109 Ų | 109 | 131.6 Ų | 131.6 | 90% | 0.901 | 80% | 0.799 | S | S | * | * | trans | -79.4 | 150.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 304 | G | 26.7 | Very low | 34 | Very low | 71 Ų | 71 | 128.9 Ų | 128.9 | 73% | 0.732 | 80% | 0.796 | S | S | * | * | trans | -174.8 | 110.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 305 | T | 32.8 | Very low | 34.4 | Very low | 140 Ų | 140 | 130.7 Ų | 130.7 | 86% | 0.859 | 80% | 0.799 | S | S | * | * | trans | -55.3 | 151.6 | 166.7 | -10 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 306 | P | 36.1 | Very low | 34.8 | Very low | 113 Ų | 113 | 131.6 Ų | 131.6 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | -157.1 | 168 | 89.6 | 41.5 | -22.8 | 0 | 0 | 0 | 117.8 | |||||
| 307 | A | 26.2 | Very low | 35.3 | Very low | 90 Ų | 90 | 136.3 Ų | 136.3 | 74% | 0.744 | 80% | 0.799 | S | S | * | * | trans | 61.9 | 135.2 | 137.4 | 0 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 308 | S | 29.8 | Very low | 35.7 | Very low | 102 Ų | 102 | 136.3 Ų | 136.3 | 71% | 0.713 | 79% | 0.791 | S | S | * | * | trans | 69.4 | 112.7 | 137.9 | -162 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 309 | R | 39.3 | Very low | 36.8 | Very low | 227 Ų | 227 | 133.9 Ų | 133.9 | 86% | 0.857 | 78% | 0.778 | S | S | * | * | 10.3 | 123.3 | 125.6 | -57.4 | 175.2 | 172.2 | -164.2 | -4 | 115.8 | |||||
| 310 | Q | 37.7 | Very low | 37.9 | Very low | 191 Ų | 191 | 132.9 Ų | 132.9 | 89% | 0.893 | 77% | 0.772 | S | S | * | * | -169.3 | 137.4 | 104.5 | -101.7 | 165.8 | 2.5 | 0 | 0 | 112.6 | |||||
| 311 | S | 38.2 | Very low | 39.2 | Very low | 107 Ų | 107 | 131.5 Ų | 131.5 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | trans | -79.9 | 130.1 | 168.8 | 50.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 312 | I | 42.6 | Very low | 39.8 | Very low | 154 Ų | 154 | 127.8 Ų | 127.8 | 79% | 0.79 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -95.6 | 125.6 | 161.3 | -67.4 | 173.4 | 0 | 0 | 0 | 107.2 | ||
| 313 | N | 40.3 | Very low | 41 | Very low | 149 Ų | 149 | 128.7 Ų | 128.7 | 80% | 0.797 | 74% | 0.741 | S | S | * | * | S | Bend | trans | 68.2 | 46.4 | 170.6 | -56 | -5.8 | 0 | 0 | 0 | 118.4 | L315 | N313-L315 PolarHBondContact O-N 3.35Š|
| 314 | G | 47.8 | Very low | 42 | Very low | 72 Ų | 72 | 133.5 Ų | 133.5 | 74% | 0.742 | 74% | 0.735 | S | S | * | * | 63.6 | 10.9 | 129.9 | 0 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 315 | L | 46.1 | Very low | 43.1 | Very low | 159 Ų | 159 | 137.3 Ų | 137.3 | 83% | 0.832 | 73% | 0.734 | S | S | * | * | trans | -117.9 | 133.1 | 175.4 | -123.6 | 75.1 | 0 | 0 | 0 | 111.6 | N313 | N313-L315 PolarHBondContact O-N 3.35Š| ||
| 316 | P | 39.3 | Very low | 43.8 | Very low | 115 Ų | 115 | 136.2 Ų | 136.2 | 75% | 0.747 | 73% | 0.727 | S | S | * | * | trans | -70.7 | 136.8 | 171.8 | 29.4 | -33.3 | 0 | 0 | 0 | 110.8 | I318 | P316-I318 PolarHBondContact O-N 3.37Š| ||
| 317 | R | 46.3 | Very low | 44.6 | Very low | 239 Ų | 239 | 137.6 Ų | 137.6 | 90% | 0.902 | 72% | 0.718 | S | S | * | * | trans | -81.5 | 106.8 | -180 | -169.9 | -177.2 | -170.9 | -150 | 3 | 110.1 | ||||
| 318 | I | 46.6 | Very low | 45.8 | Very low | 119 Ų | 119 | 140.8 Ų | 140.8 | 61% | 0.61 | 72% | 0.722 | S | S | * | * | trans | -66.4 | 129.7 | 173.9 | -56.1 | 172.6 | 0 | 0 | 0 | 109 | P316 L323 | P316-I318 PolarHBondContact O-N 3.37Å; I318-L323 HydrophobicContact CG2-CD1 4.15Å | ||
| 319 | P | 51.1 | Low | 47.1 | Very low | 75 Ų | 75 | 141.6 Ų | 141.6 | 49% | 0.487 | 72% | 0.718 | S | S | . | * | trans | -62.5 | 143.7 | 173.9 | -23.9 | 35.3 | 0 | 0 | 0 | 112.6 | E321 | P319-E321 VanDerWaalsContact C-N 3.31Å; P319-E321 PolarHBondContact O-N 2.78Å | ||
| 320 | V | 53.7 | Low | 48.5 | Very low | 101 Ų | 101 | 134.7 Ų | 134.7 | 61% | 0.612 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | -20 | -171.2 | 176.5 | 0 | 0 | 0 | 0 | 112.2 | L322 L323 | V320-L322 PolarHBondContact O-N 3.17Å; V320-L323 PolarHBondContact O-N 3.09Å |
| 321 | E | 54.9 | Low | 50.4 | Low | 142 Ų | 142 | 129 Ų | 129 | 66% | 0.664 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.9 | -42.4 | 175.8 | -71.5 | 73.7 | -155.2 | 0 | 0 | 112.7 | P319 L323 R324 | P319-E321 VanDerWaalsContact C-N 3.31Å; P319-E321 PolarHBondContact O-N 2.78Å; E321-L323 PolarHBondContact O-N 3.2Å; E321-L323 VanDerWaalsContact O-N 3.13Å; E321-R324 PolarHBondContact O-N 3.33Å |
| 322 | L | 44.7 | Very low | 51.9 | Low | 107 Ų | 107 | 125.4 Ų | 125.4 | 56% | 0.56 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -64.9 | -19.8 | -176.5 | -70.1 | 173.6 | 0 | 0 | 0 | 113.9 | V320 R324 V326 | V320-L322 PolarHBondContact O-N 3.17Å; L322-R324 VanDerWaalsContact C-N 3.33Å; L322-V326 WeakPolarHBondContact O-CG2 3.01Å |
| 323 | L | 49.8 | Very low | 53.3 | Low | 120 Ų | 120 | 125.6 Ų | 125.6 | 63% | 0.628 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -82.1 | -9.2 | 177.2 | -80.3 | 81.4 | 0 | 0 | 0 | 113.3 | I318 V320 E321 | I318-L323 HydrophobicContact CG2-CD1 4.15Å; V320-L323 PolarHBondContact O-N 3.09Å; E321-L323 PolarHBondContact O-N 3.2Å; E321-L323 VanDerWaalsContact O-N 3.13Å |
| 324 | R | 51.6 | Low | 55.4 | Low | 210 Ų | 210 | 121.6 Ų | 121.6 | 79% | 0.792 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -90.9 | -25.2 | -179.7 | -76.1 | -174.1 | 169.7 | -179.1 | -2.3 | 114.3 | E321 L322 | E321-R324 PolarHBondContact O-N 3.33Å; L322-R324 VanDerWaalsContact C-N 3.33Å |
| 325 | E | 49.4 | Very low | 57 | Low | 152 Ų | 152 | 126 Ų | 126 | 71% | 0.71 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -90.9 | -25.7 | -175.3 | -63.1 | -173.7 | 154 | 0 | 0 | 113.5 | W327 | E325-W327 VanDerWaalsContact C-N 3.27Å; E325-W327 PolarHBondContact O-N 3.24Å |
| 326 | V | 48.9 | Very low | 58.4 | Low | 116 Ų | 116 | 121.3 Ų | 121.3 | 70% | 0.703 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | -24.8 | -178.9 | 179.3 | 0 | 0 | 0 | 0 | 112.5 | L322 | L322-V326 WeakPolarHBondContact O-CG2 3.01Š|
| 327 | W | 52.7 | Low | 60.3 | Low | 142 Ų | 142 | 120.1 Ų | 120.1 | 54% | 0.538 | 58% | 0.584 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -117.3 | 44.3 | -168.2 | -98.3 | 29.1 | 0 | 0 | 0 | 114.4 | E325 D329 K330 | E325-W327 VanDerWaalsContact C-N 3.27Å; E325-W327 PolarHBondContact O-N 3.24Å; W327-D329 PolarHBondContact O-N 2.98Å; W327-K330 HydrophobicContact CB-CB 4.13Å; W327-K330 HydrophobicContact CD2-CB 4.07Å; W327-K330 HydrophobicContact CD2-CG 4.23Å; W327-K330 HydrophobicContact CE3-CB 3.71Å; W327-K330 HydrophobicContact CE3-CD 3.53Å; W327-K330 HydrophobicContact CE3-CG 3.39Å; W327-K330 HydrophobicContact CG-CB 4.31Å; W327-K330 HydrophobicContact CZ3-CB 4.36Å; W327-K330 HydrophobicContact CZ3-CD 3.86Å; W327-K330 HydrophobicContact CZ3-CG 3.63Å; W327-K330 WeakPolarHBondContact O-CB 3.45Å; W327-K330 PolarHBondContact O-N 3.32Å |
| 328 | L | 51.5 | Low | 61.6 | Low | 158 Ų | 158 | 111.4 Ų | 111.4 | 83% | 0.827 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.3 | -23.9 | 171 | -90.1 | 165.8 | 0 | 0 | 0 | 114.1 | ||
| 329 | D | 57.4 | Low | 63.1 | Low | 119 Ų | 119 | 108.2 Ų | 108.2 | 64% | 0.636 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.3 | 14.3 | 179.9 | -129.5 | -7.7 | 0 | 0 | 0 | 114.1 | W327 P331 A332 Y333 | W327-D329 PolarHBondContact O-N 2.98Å; D329-P331 VanDerWaalsContact C-CD 3.42Å; D329-P331 VanDerWaalsContact C-N 3.29Å; D329-A332 WeakPolarHBondContact O-CA 3.21Å; D329-A332 WeakPolarHBondContact O-CB 3.2Å; D329-A332 PolarHBondContact O-N 2.61Å; D329-A332 WeakPolarHBondContact OD1-CB 3.48Å; D329-Y333 PolarHBondContact O-N 3.02Å |
| 330 | K | 67.8 | Low | 64.5 | Low | 82 Ų | 82 | 110.9 Ų | 110.9 | 36% | 0.357 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -46.9 | -45.5 | 175 | -179.8 | -168.4 | -159 | -42.4 | 0 | 112.8 | W327 A332 Y333 D334 | W327-K330 HydrophobicContact CB-CB 4.13Å; W327-K330 HydrophobicContact CD2-CB 4.07Å; W327-K330 HydrophobicContact CD2-CG 4.23Å; W327-K330 HydrophobicContact CE3-CB 3.71Å; W327-K330 HydrophobicContact CE3-CD 3.53Å; W327-K330 HydrophobicContact CE3-CG 3.39Å; W327-K330 HydrophobicContact CG-CB 4.31Å; W327-K330 HydrophobicContact CZ3-CB 4.36Å; W327-K330 HydrophobicContact CZ3-CD 3.86Å; W327-K330 HydrophobicContact CZ3-CG 3.63Å; W327-K330 WeakPolarHBondContact O-CB 3.45Å; W327-K330 PolarHBondContact O-N 3.32Å; K330-A332 VanDerWaalsContact C-N 3.26Å; K330-A332 PolarHBondContact O-N 2.8Å; K330-Y333 PolarHBondContact O-N 2.92Å; K330-D334 IonicContact NZ-OD1 2.68Å; K330-D334 PolarHBondContact NZ-OD1 3.49Å; K330-D334 IonicContact NZ-OD2 2.68Å; K330-D334 PolarHBondContact NZ-OD2 3.38Å; K330-D334 VanDerWaalsContact O-CB 3.32Å; K330-D334 WeakPolarHBondContact O-CB 3.31Å; K330-D334 PolarHBondContact O-N 3.01Å |
| 331 | P | 77.6 | Confident | 65.6 | Low | 71 Ų | 71 | 111.1 Ų | 111.1 | 46% | 0.461 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -68.4 | -22.3 | -179.7 | -19.6 | 34.3 | 0 | 0 | 0 | 114 | D329 R335 | D329-P331 VanDerWaalsContact C-CD 3.42Å; D329-P331 VanDerWaalsContact C-N 3.29Å; P331-R335 WeakPolarHBondContact O-CB 3.48Å; P331-R335 VanDerWaalsContact O-CG 3.24Å; P331-R335 WeakPolarHBondContact O-CG 3.33Å; P331-R335 PolarHBondContact O-N 3.11Å; P331-R335 PolarHBondContact O-NE 2.93Å; P331-R335 PolarHBondContact O-NH1 3.33Å; P331-R335 PolarHBondContact O-NH2 2.95Å |
| 332 | A | 69.4 | Low | 66.6 | Low | 32 Ų | 32 | 111.2 Ų | 111.2 | 26% | 0.264 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -80 | -40.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | D329 K330 R335 A336 | D329-A332 WeakPolarHBondContact O-CA 3.21Å; D329-A332 WeakPolarHBondContact O-CB 3.2Å; D329-A332 PolarHBondContact O-N 2.61Å; D329-A332 WeakPolarHBondContact OD1-CB 3.48Å; K330-A332 VanDerWaalsContact C-N 3.26Å; K330-A332 PolarHBondContact O-N 2.8Å; A332-R335 PolarHBondContact O-N 3.04Å; A332-A336 PolarHBondContact O-N 3.32Å |
| 333 | Y | 72.8 | Confident | 68 | Low | 158 Ų | 158 | 111.7 Ų | 111.7 | 62% | 0.62 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -63.7 | -49.9 | 175.5 | -145.2 | -85.8 | 0 | 0 | 0 | 111.8 | D329 K330 R335 A336 E337 | D329-Y333 PolarHBondContact O-N 3.02Å; K330-Y333 PolarHBondContact O-N 2.92Å; Y333-R335 PolarHBondContact O-N 2.82Å; Y333-A336 PolarHBondContact O-N 2.84Å; Y333-A336 VanDerWaalsContact O-N 3.09Å; Y333-E337 WeakPolarHBondContact O-CB 3.4Å; Y333-E337 PolarHBondContact O-N 3.31Å |
| 334 | D | 84.4 | Confident | 68.9 | Low | 64 Ų | 64 | 110 Ų | 110 | 34% | 0.342 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -56.5 | -36.2 | 174.2 | -68 | -7.2 | 0 | 0 | 0 | 111.1 | K330 A338 | K330-D334 IonicContact NZ-OD1 2.68Å; K330-D334 PolarHBondContact NZ-OD1 3.49Å; K330-D334 IonicContact NZ-OD2 2.68Å; K330-D334 PolarHBondContact NZ-OD2 3.38Å; K330-D334 VanDerWaalsContact O-CB 3.32Å; K330-D334 WeakPolarHBondContact O-CB 3.31Å; K330-D334 PolarHBondContact O-N 3.01Å; D334-A338 WeakPolarHBondContact O-CB 3.39Å; D334-A338 PolarHBondContact O-N 3.13Å |
| 335 | R | 80.6 | Confident | 69.6 | Low | 165 Ų | 165 | 107.4 Ų | 107.4 | 62% | 0.623 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -71.2 | -41.3 | 174.8 | -83.7 | -173.3 | -60.2 | -102.1 | 0.5 | 112.9 | P331 A332 Y333 A339 | P331-R335 WeakPolarHBondContact O-CB 3.48Å; P331-R335 VanDerWaalsContact O-CG 3.24Å; P331-R335 WeakPolarHBondContact O-CG 3.33Å; P331-R335 PolarHBondContact O-N 3.11Å; P331-R335 PolarHBondContact O-NE 2.93Å; P331-R335 PolarHBondContact O-NH1 3.33Å; P331-R335 PolarHBondContact O-NH2 2.95Å; A332-R335 PolarHBondContact O-N 3.04Å; Y333-R335 PolarHBondContact O-N 2.82Å; R335-A339 WeakPolarHBondContact O-CB 3.43Å; R335-A339 PolarHBondContact O-N 3.15Å |
| 336 | A | 76.6 | Confident | 69.8 | Low | 61 Ų | 61 | 103 Ų | 103 | 50% | 0.504 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.4 | -41.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | A332 Y333 A339 F340 | A332-A336 PolarHBondContact O-N 3.32Å; Y333-A336 PolarHBondContact O-N 2.84Å; Y333-A336 VanDerWaalsContact O-N 3.09Å; A336-A339 PolarHBondContact O-N 2.64Å; A336-F340 WeakPolarHBondContact O-CB 3.23Å; A336-F340 PolarHBondContact O-N 2.65Å |
| 337 | E | 77.6 | Confident | 69.8 | Low | 89 Ų | 89 | 104.1 Ų | 104.1 | 42% | 0.416 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.5 | -41.7 | 177 | -163.2 | 175.8 | -145.9 | 0 | 0 | 111.5 | Y333 A339 F340 Y341 | Y333-E337 WeakPolarHBondContact O-CB 3.4Å; Y333-E337 PolarHBondContact O-N 3.31Å; E337-A339 PolarHBondContact O-N 3.11Å; E337-F340 PolarHBondContact O-N 3.46Å; E337-Y341 HydrophobicContact CG-CD2 3.82Å; E337-Y341 HydrophobicContact CG-CE2 3.57Å; E337-Y341 VanDerWaalsContact O-CD2 3.28Å; E337-Y341 WeakPolarHBondContact O-CD2 3.35Å; E337-Y341 PolarHBondContact O-N 3.32Å |
| 338 | A | 74.9 | Confident | 69.5 | Low | 57 Ų | 57 | 104.2 Ų | 104.2 | 47% | 0.471 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -60 | -43.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | D334 Q342 | D334-A338 WeakPolarHBondContact O-CB 3.39Å; D334-A338 PolarHBondContact O-N 3.13Å; A338-Q342 WeakPolarHBondContact O-CB 3.36Å; A338-Q342 PolarHBondContact O-N 3.36Å |
| 339 | A | 77.3 | Confident | 69.1 | Low | 52 Ų | 52 | 101.4 Ų | 101.4 | 43% | 0.43 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.1 | -39 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | R335 A336 E337 Q342 N343 | R335-A339 WeakPolarHBondContact O-CB 3.43Å; R335-A339 PolarHBondContact O-N 3.15Å; A336-A339 PolarHBondContact O-N 2.64Å; E337-A339 PolarHBondContact O-N 3.11Å; A339-Q342 PolarHBondContact O-N 3.29Å; A339-N343 PolarHBondContact O-N 3.1Å |
| 340 | F | 80.5 | Confident | 68.4 | Low | 130 Ų | 130 | 101.2 Ų | 101.2 | 57% | 0.57 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -61.6 | -52.8 | 175.9 | 176.6 | -99.4 | 0 | 0 | 0 | 111.8 | A336 E337 Q342 N343 L344 | A336-F340 WeakPolarHBondContact O-CB 3.23Å; A336-F340 PolarHBondContact O-N 2.65Å; E337-F340 PolarHBondContact O-N 3.46Å; F340-Q342 VanDerWaalsContact C-N 3.34Å; F340-Q342 PolarHBondContact O-N 3.09Å; F340-N343 PolarHBondContact O-N 2.91Å; F340-L344 WeakPolarHBondContact O-CB 3.49Å; F340-L344 PolarHBondContact O-N 2.83Å |
| 341 | Y | 78.2 | Confident | 66.8 | Low | 107 Ų | 107 | 106.4 Ų | 106.4 | 42% | 0.42 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -67.1 | -34.4 | 177 | -74.3 | -62.4 | 0 | 0 | 0 | 112.6 | E337 N343 L344 Y345 | E337-Y341 HydrophobicContact CG-CD2 3.82Å; E337-Y341 HydrophobicContact CG-CE2 3.57Å; E337-Y341 VanDerWaalsContact O-CD2 3.28Å; E337-Y341 WeakPolarHBondContact O-CD2 3.35Å; E337-Y341 PolarHBondContact O-N 3.32Å; Y341-N343 VanDerWaalsContact C-N 3.34Å; Y341-N343 PolarHBondContact O-N 3Å; Y341-L344 HydrophobicContact CD1-CD2 4.04Å; Y341-L344 HydrophobicContact CE1-CD2 4.33Å; Y341-L344 PolarHBondContact O-N 3.27Å; Y341-Y345 AromaticContact CD1-CE2 3.81Å; Y341-Y345 HydrophobicContact CD1-CE2 3.81Å; Y341-Y345 HydrophobicContact CG-CE2 4.48Å; Y341-Y345 WeakPolarHBondContact O-CD2 3.38Å; Y341-Y345 PolarHBondContact O-N 3.39Å |
| 342 | Q | 75.6 | Confident | 64.7 | Low | 144 Ų | 144 | 114.2 Ų | 114.2 | 67% | 0.673 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -60.2 | -43.6 | 173.1 | -174.4 | 172.5 | 12.1 | 0 | 0 | 111.2 | A338 A339 F340 A346 | A338-Q342 WeakPolarHBondContact O-CB 3.36Å; A338-Q342 PolarHBondContact O-N 3.36Å; A339-Q342 PolarHBondContact O-N 3.29Å; F340-Q342 VanDerWaalsContact C-N 3.34Å; F340-Q342 PolarHBondContact O-N 3.09Å; Q342-A346 WeakPolarHBondContact O-CB 3.48Å; Q342-A346 PolarHBondContact O-N 3.29Å |
| 343 | N | 72.8 | Confident | 63 | Low | 117 Ų | 117 | 121 Ų | 121 | 63% | 0.626 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -67.4 | -39.4 | 175.7 | -116.9 | 0.5 | 0 | 0 | 0 | 112.6 | A339 F340 Y341 Y345 | A339-N343 PolarHBondContact O-N 3.1Å; F340-N343 PolarHBondContact O-N 2.91Å; Y341-N343 VanDerWaalsContact C-N 3.34Å; Y341-N343 PolarHBondContact O-N 3Å; N343-Y345 VanDerWaalsContact C-N 3.33Å; N343-Y345 PolarHBondContact O-N 3.38Å |
| 344 | L | 70 | Confident | 60.9 | Low | 83 Ų | 83 | 119.9 Ų | 119.9 | 44% | 0.435 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -62.1 | -38.3 | 179.3 | -163.7 | 73.9 | 0 | 0 | 0 | 112.5 | F340 Y341 N348 | F340-L344 WeakPolarHBondContact O-CB 3.49Å; F340-L344 PolarHBondContact O-N 2.83Å; Y341-L344 HydrophobicContact CD1-CD2 4.04Å; Y341-L344 HydrophobicContact CE1-CD2 4.33Å; Y341-L344 PolarHBondContact O-N 3.27Å; L344-N348 PolarHBondContact O-ND2 3.37Å |
| 345 | Y | 66.3 | Low | 58.1 | Low | 157 Ų | 157 | 122.3 Ų | 122.3 | 62% | 0.616 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -97.8 | -27 | -177.4 | -64.3 | -61 | 0 | 0 | 0 | 114.4 | Y341 N343 N347 N348 | Y341-Y345 AromaticContact CD1-CE2 3.81Å; Y341-Y345 HydrophobicContact CD1-CE2 3.81Å; Y341-Y345 HydrophobicContact CG-CE2 4.48Å; Y341-Y345 WeakPolarHBondContact O-CD2 3.38Å; Y341-Y345 PolarHBondContact O-N 3.39Å; N343-Y345 VanDerWaalsContact C-N 3.33Å; N343-Y345 PolarHBondContact O-N 3.38Å; Y345-N347 VanDerWaalsContact C-N 3.32Å; Y345-N347 PolarHBondContact O-N 2.86Å; Y345-N348 PolarHBondContact O-N 3.37Å |
| 346 | A | 51.9 | Low | 55.5 | Low | 59 Ų | 59 | 121 Ų | 121 | 49% | 0.488 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -64.3 | -35.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q342 N348 S349 | Q342-A346 WeakPolarHBondContact O-CB 3.48Å; Q342-A346 PolarHBondContact O-N 3.29Å; A346-N348 PolarHBondContact O-N 2.89Å; A346-N348 VanDerWaalsContact O-N 3.12Å; A346-S349 PolarHBondContact O-N 3.17Å |
| 347 | N | 50 | Low | 53.4 | Low | 140 Ų | 140 | 124 Ų | 124 | 75% | 0.749 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | -7.8 | -179.3 | -98.5 | -18.1 | 0 | 0 | 0 | 115 | Y345 | Y345-N347 VanDerWaalsContact C-N 3.32Å; Y345-N347 PolarHBondContact O-N 2.86Å |
| 348 | N | 47.3 | Very low | 50.9 | Low | 143 Ų | 143 | 126 Ų | 126 | 77% | 0.765 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.4 | 2.5 | -179.8 | -77.4 | -58.8 | 0 | 0 | 0 | 114.6 | L344 Y345 A346 | L344-N348 PolarHBondContact O-ND2 3.37Å; Y345-N348 PolarHBondContact O-N 3.37Å; A346-N348 PolarHBondContact O-N 2.89Å; A346-N348 VanDerWaalsContact O-N 3.12Å |
| 349 | S | 41.1 | Very low | 48.6 | Very low | 100 Ų | 100 | 129.2 Ų | 129.2 | 70% | 0.699 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -96.9 | -15.5 | -170.1 | -163 | 0 | 0 | 0 | 0 | 115.9 | A346 | A346-S349 PolarHBondContact O-N 3.17Š|
| 350 | S | 43.3 | Very low | 46.3 | Very low | 115 Ų | 115 | 138.4 Ų | 138.4 | 80% | 0.804 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -117.5 | 45.9 | -166.4 | -64.8 | 0 | 0 | 0 | 0 | 115.4 | ||
| 351 | K | 34.1 | Very low | 43.8 | Very low | 190 Ų | 190 | 135.5 Ų | 135.5 | 83% | 0.826 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -152.2 | 72 | 165.6 | -143.6 | 169.8 | -167.2 | 169.8 | 0 | 115.6 | ||
| 352 | R | 33.1 | Very low | 41.5 | Very low | 235 Ų | 235 | 135.8 Ų | 135.8 | 89% | 0.887 | 74% | 0.738 | S | S | * | * | 168.2 | 153.2 | 119.9 | -92.5 | 167.8 | -178.9 | -168.4 | 2 | 115 | |||||
| 353 | Q | 34.4 | Very low | 39.3 | Very low | 176 Ų | 176 | 136.7 Ų | 136.7 | 82% | 0.822 | 75% | 0.747 | S | S | * | * | trans | 95.6 | 131.6 | 169.2 | -58.3 | -163.6 | -12.7 | 0 | 0 | 115.2 | ||||
| 354 | I | 28.6 | Very low | 37.2 | Very low | 133 Ų | 133 | 139.7 Ų | 139.7 | 68% | 0.682 | 76% | 0.757 | S | S | * | * | cis | -157.6 | 154.8 | -0.3 | -121.1 | 163.6 | 0 | 0 | 0 | 111.7 | ||||
| 355 | C | 26.1 | Very low | 36 | Very low | 116 Ų | 116 | 140.1 Ų | 140.1 | 78% | 0.784 | 77% | 0.765 | S | S | * | * | trans | 49.2 | 120.2 | 161.9 | -67.4 | 0 | 0 | 0 | 0 | 123 | ||||
| 356 | T | 25.4 | Very low | 34 | Very low | 136 Ų | 136 | 141.3 Ų | 141.3 | 83% | 0.834 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -80 | 143.8 | 155.2 | 49.9 | 0 | 0 | 0 | 0 | 112.7 | ||
| 357 | P | 32 | Very low | 32.7 | Very low | 124 Ų | 124 | 143.9 Ų | 143.9 | 81% | 0.805 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 142.6 | 152.8 | 34 | -28.7 | 0 | 0 | 0 | 112 | ||
| 358 | T | 25.2 | Very low | 31.4 | Very low | 132 Ų | 132 | 144 Ų | 144 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 131.5 | 177.9 | -55.5 | 0 | 0 | 0 | 0 | 115.3 | ||
| 359 | T | 28 | Very low | 30.4 | Very low | 125 Ų | 125 | 144.4 Ų | 144.4 | 77% | 0.767 | 79% | 0.79 | S | S | * | * | -173.7 | 150.3 | 119.1 | 18.2 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 360 | R | 28.7 | Very low | 29.9 | Very low | 245 Ų | 245 | 146.1 Ų | 146.1 | 93% | 0.925 | 79% | 0.786 | S | S | * | * | trans | -18.1 | 141.9 | 165.8 | -53.6 | 155.4 | 90.7 | 165.9 | 6.3 | 115.1 | ||||
| 361 | G | 27.9 | Very low | 29.2 | Very low | 69 Ų | 69 | 148.2 Ų | 148.2 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | cis | 145.8 | 169.6 | 12.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 362 | S | 30.3 | Very low | 28.9 | Very low | 113 Ų | 113 | 146.4 Ų | 146.4 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | trans | 89.5 | 115.6 | 174.3 | -64.8 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 363 | D | 29 | Very low | 28.7 | Very low | 162 Ų | 162 | 142.7 Ų | 142.7 | 87% | 0.866 | 77% | 0.771 | S | S | * | * | trans | 86.4 | 155.1 | 141.5 | -52.4 | -32.6 | 0 | 0 | 0 | 123 | ||||
| 364 | H | 28.4 | Very low | 28.4 | Very low | 180 Ų | 180 | 142.8 Ų | 142.8 | 83% | 0.833 | 77% | 0.771 | S | S | * | * | trans | -146.8 | 170.3 | -147.9 | -175.5 | 65.4 | 0 | 0 | 0 | 106.9 | ||||
| 365 | P | 44.9 | Very low | 28.4 | Very low | 92 Ų | 92 | 144.7 Ų | 144.7 | 60% | 0.597 | 78% | 0.777 | S | S | * | * | -134.7 | -176.9 | -56.1 | 42.8 | -29.6 | 0 | 0 | 0 | 115.1 | |||||
| 366 | Q | 23.5 | Very low | 28.4 | Very low | 183 Ų | 183 | 146.7 Ų | 146.7 | 86% | 0.855 | 78% | 0.78 | S | S | * | * | trans | -59.7 | 141.8 | 149.4 | -85.9 | 163 | -78.5 | 0 | 0 | 111.9 | ||||
| 367 | S | 24.7 | Very low | 28.4 | Very low | 112 Ų | 112 | 144.7 Ų | 144.7 | 78% | 0.783 | 77% | 0.771 | S | S | * | * | 100.8 | 138.6 | 60.4 | -160.9 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 368 | L | 24.1 | Very low | 28.3 | Very low | 144 Ų | 144 | 147.1 Ų | 147.1 | 75% | 0.754 | 77% | 0.772 | S | S | * | * | trans | -152.9 | 156.8 | -178.1 | -138.9 | 175.9 | 0 | 0 | 0 | 107.7 | ||||
| 369 | M | 26.2 | Very low | 28.3 | Very low | 151 Ų | 151 | 147.6 Ų | 147.6 | 74% | 0.744 | 77% | 0.77 | S | S | * | * | trans | 75.1 | 145.6 | 170.1 | -53 | -176.2 | 124.2 | 0 | 0 | 114.3 | ||||
| 370 | E | 29.1 | Very low | 28.2 | Very low | 135 Ų | 135 | 149.4 Ų | 149.4 | 63% | 0.631 | 77% | 0.771 | S | S | * | * | cis | 155.6 | 153.3 | -16.9 | -105 | 166.3 | 162.2 | 0 | 0 | 103.9 | ||||
| 371 | E | 29 | Very low | 28.3 | Very low | 159 Ų | 159 | 141.6 Ų | 141.6 | 74% | 0.743 | 76% | 0.76 | S | S | * | * | trans | 64.5 | 166.8 | 162.8 | -65 | 159.1 | -166.3 | 0 | 0 | 116 | ||||
| 372 | E | 28.5 | Very low | 28.3 | Very low | 152 Ų | 152 | 147.5 Ų | 147.5 | 71% | 0.71 | 77% | 0.768 | S | S | * | * | cis | -159.9 | 174.3 | -35.9 | -108.1 | 166.6 | -175.6 | 0 | 0 | 108.1 | ||||
| 373 | E | 28.2 | Very low | 28.4 | Very low | 158 Ų | 158 | 150.9 Ų | 150.9 | 74% | 0.738 | 77% | 0.772 | S | S | * | * | trans | 21.6 | 121 | 145.2 | -59.7 | -177.7 | 172.8 | 0 | 0 | 120.5 | ||||
| 374 | E | 29.2 | Very low | 28.4 | Very low | 177 Ų | 177 | 152.1 Ų | 152.1 | 83% | 0.827 | 77% | 0.772 | S | S | * | * | 102.5 | 175.4 | 94.1 | -79.9 | -153.4 | 160.9 | 0 | 0 | 114 | |||||
| 375 | E | 29.2 | Very low | 28.5 | Very low | 174 Ų | 174 | 152.7 Ų | 152.7 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | trans | 79.6 | 115.4 | 175.1 | -59.1 | -170.3 | 168.4 | 0 | 0 | 119.4 | ||||
| 376 | D | 24.5 | Very low | 28.2 | Very low | 157 Ų | 157 | 153.3 Ų | 153.3 | 84% | 0.84 | 78% | 0.777 | S | S | * | * | 44.1 | 147.2 | 115.6 | -60.8 | -7.6 | 0 | 0 | 0 | 120.1 | |||||
| 377 | S | 27.1 | Very low | 28.2 | Very low | 94 Ų | 94 | 151.8 Ų | 151.8 | 66% | 0.657 | 77% | 0.773 | S | S | * | * | cis | -161.2 | 157.5 | 17.6 | 52.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 378 | E | 28.8 | Very low | 28.4 | Very low | 176 Ų | 176 | 152.6 Ų | 152.6 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | trans | 57.1 | 137.6 | 138.1 | -66.7 | 174 | 164.1 | 0 | 0 | 124.6 | ||||
| 379 | D | 26.1 | Very low | 28.6 | Very low | 141 Ų | 141 | 151.8 Ų | 151.8 | 75% | 0.754 | 76% | 0.764 | S | S | * | * | trans | 85.3 | 108.6 | 142 | -83.5 | 4.8 | 0 | 0 | 0 | 125.3 | ||||
| 380 | M | 25.5 | Very low | 28.6 | Very low | 163 Ų | 163 | 154.1 Ų | 154.1 | 80% | 0.803 | 77% | 0.772 | S | S | * | * | 88.8 | 138.4 | 120.4 | -70.2 | -71.9 | -75.7 | 0 | 0 | 123.1 | |||||
| 381 | A | 29.6 | Very low | 28.4 | Very low | 82 Ų | 82 | 152.3 Ų | 152.3 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | trans | 70.1 | 149.7 | 158.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 382 | E | 29.4 | Very low | 28.2 | Very low | 192 Ų | 192 | 154.2 Ų | 154.2 | 90% | 0.897 | 78% | 0.78 | S | S | * | * | cis | -155.9 | -175.2 | -12.6 | -122.5 | 172.9 | -167.7 | 0 | 0 | 109.4 | ||||
| 383 | E | 30.6 | Very low | 28.2 | Very low | 184 Ų | 184 | 150.7 Ų | 150.7 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | trans | -71.4 | 170.7 | -177.5 | -67.8 | -172.4 | 105.1 | 0 | 0 | 116 | ||||
| 384 | E | 29.3 | Very low | 28.3 | Very low | 188 Ų | 188 | 150.7 Ų | 150.7 | 88% | 0.879 | 78% | 0.776 | S | S | * | * | trans | 110.4 | 147 | 148.9 | -59.6 | -139.9 | 113.2 | 0 | 0 | 120.7 | ||||
| 385 | K | 31.1 | Very low | 28.5 | Very low | 193 Ų | 193 | 147.6 Ų | 147.6 | 84% | 0.839 | 77% | 0.769 | S | S | * | * | trans | -77.5 | -176 | 179.9 | -63.4 | 171.3 | 177.6 | 165.9 | 0 | 109.6 | ||||
| 386 | P | 37.9 | Very low | 28.5 | Very low | 105 Ų | 105 | 147.3 Ų | 147.3 | 68% | 0.682 | 77% | 0.766 | S | S | * | * | cis | -150.9 | -176.8 | 16.6 | 46.7 | -25.1 | 0 | 0 | 0 | 118.4 | ||||
| 387 | L | 24.8 | Very low | 28.6 | Very low | 150 Ų | 150 | 147.5 Ų | 147.5 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | 23.5 | 146 | 129.2 | -54.6 | 171.2 | 0 | 0 | 0 | 118.6 | |||||
| 388 | I | 27.7 | Very low | 28.8 | Very low | 130 Ų | 130 | 147 Ų | 147 | 67% | 0.667 | 76% | 0.762 | S | S | * | * | cis | -176.4 | 159.5 | 28.2 | -132.2 | 168.5 | 0 | 0 | 0 | 113.5 | ||||
| 389 | L | 29.6 | Very low | 28.8 | Very low | 127 Ų | 127 | 145.8 Ų | 145.8 | 67% | 0.665 | 76% | 0.761 | S | S | * | * | trans | 50.1 | 135.9 | 152.9 | -70.6 | 171.7 | 0 | 0 | 0 | 124.1 | C391 | L389-C391 WeakPolarHBondContact CD2-SG 3.49Š| ||
| 390 | Q | 26.1 | Very low | 28.9 | Very low | 199 Ų | 199 | 147.6 Ų | 147.6 | 93% | 0.93 | 76% | 0.764 | S | S | * | * | -150.2 | 142.9 | 97.5 | -112.8 | -175.5 | 27.9 | 0 | 0 | 115 | |||||
| 391 | C | 24.4 | Very low | 29.8 | Very low | 98 Ų | 98 | 144.7 Ų | 144.7 | 66% | 0.662 | 76% | 0.758 | S | S | * | * | trans | -111 | 168.7 | -175.7 | -69 | 0 | 0 | 0 | 0 | 113.4 | L389 | L389-C391 WeakPolarHBondContact CD2-SG 3.49Š| ||
| 392 | K | 24.1 | Very low | 29.5 | Very low | 199 Ų | 199 | 148 Ų | 148 | 87% | 0.865 | 76% | 0.763 | S | S | * | * | trans | -173 | 150.4 | 152.4 | -106.9 | 169.3 | 174.1 | 172.9 | 0 | 107.7 | ||||
| 393 | A | 28.7 | Very low | 29.3 | Very low | 77 Ų | 77 | 146.9 Ų | 146.9 | 64% | 0.636 | 76% | 0.757 | S | S | * | * | cis | -176.5 | 166.8 | -18.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 394 | E | 31.6 | Very low | 29.3 | Very low | 159 Ų | 159 | 146.6 Ų | 146.6 | 74% | 0.743 | 76% | 0.756 | S | S | * | * | cis | 175.8 | 148 | -31.8 | -93.8 | 134.4 | 44.4 | 0 | 0 | 106.6 | ||||
| 395 | V | 33.3 | Very low | 29.1 | Very low | 112 Ų | 112 | 145.9 Ų | 145.9 | 68% | 0.679 | 75% | 0.753 | S | S | * | * | cis | -167.2 | 179.2 | -21 | 102.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 396 | F | 27.6 | Very low | 28.9 | Very low | 168 Ų | 168 | 145.3 Ų | 145.3 | 74% | 0.737 | 75% | 0.753 | S | S | * | * | trans | 112.2 | 140.5 | 163.9 | -68.3 | -65.4 | 0 | 0 | 0 | 117.3 | ||||
| 397 | H | 27.9 | Very low | 28.5 | Very low | 160 Ų | 160 | 147.8 Ų | 147.8 | 74% | 0.741 | 76% | 0.755 | S | S | * | * | cis | -154.4 | 145.8 | 7 | -118.6 | -62.6 | 0 | 0 | 0 | 110.9 | ||||
| 398 | A | 31.8 | Very low | 28.8 | Very low | 83 Ų | 83 | 146.6 Ų | 146.6 | 69% | 0.686 | 76% | 0.757 | S | S | * | * | trans | 42.4 | 152.2 | 141.4 | 0 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 399 | L | 28 | Very low | 28.8 | Very low | 151 Ų | 151 | 144.1 Ų | 144.1 | 79% | 0.791 | 76% | 0.756 | S | S | * | * | cis | -170 | 138.3 | -8.5 | -105.4 | 170.4 | 0 | 0 | 0 | 111 | ||||
| 400 | H | 27.4 | Very low | 28.6 | Very low | 179 Ų | 179 | 147.1 Ų | 147.1 | 83% | 0.829 | 77% | 0.766 | S | S | * | * | trans | 53.5 | 154.5 | 149.3 | -93.9 | -108.5 | 0 | 0 | 0 | 125.7 | ||||
| 401 | P | 44.3 | Very low | 28.4 | Very low | 102 Ų | 102 | 141.9 Ų | 141.9 | 66% | 0.662 | 75% | 0.751 | S | S | * | * | trans | -106.9 | 171.3 | -179.4 | 42.1 | -33.4 | 0 | 0 | 0 | 114.3 | ||||
| 402 | I | 24.4 | Very low | 28.5 | Very low | 152 Ų | 152 | 144.1 Ų | 144.1 | 78% | 0.779 | 76% | 0.756 | S | S | * | * | trans | 179.6 | 150.1 | 152.7 | -101.7 | 153.7 | 0 | 0 | 0 | 114.5 | ||||
| 403 | Q | 23.8 | Very low | 28.6 | Very low | 169 Ų | 169 | 141.7 Ų | 141.7 | 79% | 0.79 | 75% | 0.748 | S | S | * | * | trans | 85.5 | 146.3 | 155.1 | -95.6 | 164.8 | -72.6 | 0 | 0 | 125.8 | ||||
| 404 | E | 30.5 | Very low | 28.4 | Very low | 177 Ų | 177 | 143.4 Ų | 143.4 | 83% | 0.827 | 75% | 0.75 | S | S | * | * | trans | -95.3 | -165.8 | 178.2 | -58.9 | 168.4 | 121.3 | 0 | 0 | 111.4 | ||||
| 405 | E | 26.8 | Very low | 28.1 | Very low | 174 Ų | 174 | 144.6 Ų | 144.6 | 81% | 0.813 | 76% | 0.756 | S | S | * | * | trans | 80 | 141.5 | 179.1 | -51.9 | -179 | 147.4 | 0 | 0 | 113.9 | ||||
| 406 | E | 26.3 | Very low | 27.6 | Very low | 181 Ų | 181 | 147.5 Ų | 147.5 | 85% | 0.846 | 76% | 0.762 | S | S | * | * | cis | -152.7 | 161.1 | 5.3 | -146.4 | 179 | 157.5 | 0 | 0 | 110 | ||||
| 407 | E | 29.3 | Very low | 28.1 | Very low | 156 Ų | 156 | 144.4 Ų | 144.4 | 73% | 0.729 | 76% | 0.759 | S | S | * | * | trans | -82.5 | 165.5 | 166.3 | -148.2 | -163.5 | -126.2 | 0 | 0 | 109.9 | ||||
| 408 | P | 31.5 | Very low | 28.1 | Very low | 125 Ų | 125 | 142.1 Ų | 142.1 | 81% | 0.812 | 76% | 0.761 | S | S | * | * | -151.4 | 164.8 | 93.6 | 37.5 | -19 | 0 | 0 | 0 | 116.8 | |||||
| 409 | A | 27 | Very low | 27.9 | Very low | 78 Ų | 78 | 141.6 Ų | 141.6 | 65% | 0.645 | 76% | 0.764 | S | S | * | * | trans | -84.8 | 163.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 410 | E | 25.7 | Very low | 27.9 | Very low | 190 Ų | 190 | 140.9 Ų | 140.9 | 89% | 0.888 | 77% | 0.765 | S | S | * | * | trans | -170.1 | 162.3 | 150.1 | -111.8 | -179.8 | -159.4 | 0 | 0 | 110.4 | ||||
| 411 | S | 22.2 | Very low | 28 | Very low | 89 Ų | 89 | 136.6 Ų | 136.6 | 62% | 0.622 | 75% | 0.754 | S | S | * | * | -160.7 | 150 | -86.5 | 58.5 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 412 | L | 26.5 | Very low | 27.4 | Very low | 145 Ų | 145 | 141.5 Ų | 141.5 | 76% | 0.759 | 77% | 0.766 | S | S | * | * | trans | 64.9 | 156.9 | 153.4 | -59.6 | 162.9 | 0 | 0 | 0 | 117.9 | ||||
| 413 | E | 26.8 | Very low | 27.6 | Very low | 149 Ų | 149 | 142.6 Ų | 142.6 | 70% | 0.696 | 77% | 0.765 | S | S | * | * | cis | -155.4 | 134.6 | 2.2 | -120.1 | 150.5 | -148.4 | 0 | 0 | 107.7 | ||||
| 414 | T | 23.5 | Very low | 28.1 | Very low | 112 Ų | 112 | 143 Ų | 143 | 69% | 0.687 | 77% | 0.772 | S | S | * | * | 69.2 | 124.5 | 100.8 | -42.8 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 415 | E | 25 | Very low | 28.2 | Very low | 185 Ų | 185 | 140.3 Ų | 140.3 | 86% | 0.864 | 76% | 0.759 | S | S | * | * | -158.4 | 158 | 78 | -73.5 | -103.1 | 109.3 | 0 | 0 | 114.1 | |||||
| 416 | E | 23.6 | Very low | 29 | Very low | 173 Ų | 173 | 137.5 Ų | 137.5 | 81% | 0.808 | 76% | 0.756 | S | S | * | * | trans | -97 | -170.6 | 178.4 | -119.8 | -157.1 | -149.8 | 0 | 0 | 111.6 | ||||
| 417 | P | 38.8 | Very low | 29.5 | Very low | 103 Ų | 103 | 134.5 Ų | 134.5 | 67% | 0.669 | 75% | 0.746 | S | S | * | * | cis | -149.2 | 171.2 | 27.8 | 42.8 | -21.2 | 0 | 0 | 0 | 120.7 | ||||
| 418 | S | 26.1 | Very low | 30.4 | Very low | 112 Ų | 112 | 132 Ų | 132 | 78% | 0.783 | 75% | 0.745 | S | S | * | * | trans | 66.7 | 136.2 | 158.4 | 72.2 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 419 | G | 28 | Very low | 31.3 | Very low | 72 Ų | 72 | 134.2 Ų | 134.2 | 74% | 0.742 | 75% | 0.745 | S | S | * | * | cis | 145.6 | 135.4 | 6.6 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 420 | V | 29.2 | Very low | 32.2 | Very low | 135 Ų | 135 | 138.3 Ų | 138.3 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | cis | -161.8 | 138.6 | 36.3 | 160.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 421 | C | 29.6 | Very low | 32.9 | Very low | 89 Ų | 89 | 135.9 Ų | 135.9 | 60% | 0.601 | 75% | 0.753 | S | S | * | * | trans | 45.4 | 147.2 | 155.9 | -60.1 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 422 | F | 31.3 | Very low | 33.8 | Very low | 205 Ų | 205 | 143.9 Ų | 143.9 | 90% | 0.899 | 77% | 0.77 | S | S | * | * | cis | -130.5 | 157.2 | 21.2 | -81.5 | -91.3 | 0 | 0 | 0 | 114.8 | ||||
| 423 | F | 28.5 | Very low | 34.7 | Very low | 175 Ų | 175 | 142.6 Ų | 142.6 | 77% | 0.768 | 76% | 0.763 | S | S | * | * | trans | -86.2 | 148.7 | -175.5 | -88.1 | -116.9 | 0 | 0 | 0 | 114.5 | ||||
| 424 | L | 33.9 | Very low | 35.7 | Very low | 177 Ų | 177 | 139.4 Ų | 139.4 | 93% | 0.927 | 75% | 0.751 | S | S | * | * | trans | -120.4 | 139.5 | 140.6 | -79 | 167.3 | 0 | 0 | 0 | 107.3 | ||||
| 425 | H | 32.7 | Very low | 37.3 | Very low | 121 Ų | 121 | 140.6 Ų | 140.6 | 56% | 0.56 | 75% | 0.746 | S | S | * | * | trans | -82.2 | 146.8 | -164.1 | -147.9 | -97.7 | 0 | 0 | 0 | 112.7 | D427 | H425-D427 IonicContact CE1-OD2 2.7Å; H425-D427 PolarHBondContact CE1-OD2 3.04Å; H425-D427 IonicContact ND1-OD2 2.69Å; H425-D427 PolarHBondContact ND1-OD2 3.02Å; H425-D427 PolarHBondContact O-N 3.48Å; H425-D427 VanDerWaalsContact O-N 3.09Å | ||
| 426 | P | 44.5 | Very low | 38.3 | Very low | 115 Ų | 115 | 140 Ų | 140 | 75% | 0.747 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | -0 | 179.5 | -20.2 | 34.2 | 0 | 0 | 0 | 116.5 | ||
| 427 | D | 36.2 | Very low | 39.5 | Very low | 118 Ų | 118 | 139.6 Ų | 139.6 | 63% | 0.631 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.2 | 17.5 | -169.8 | -52 | -26.7 | 0 | 0 | 0 | 113.1 | H425 E429 | H425-D427 IonicContact CE1-OD2 2.7Å; H425-D427 PolarHBondContact CE1-OD2 3.04Å; H425-D427 IonicContact ND1-OD2 2.69Å; H425-D427 PolarHBondContact ND1-OD2 3.02Å; H425-D427 PolarHBondContact O-N 3.48Å; H425-D427 VanDerWaalsContact O-N 3.09Å; D427-E429 PolarHBondContact O-N 3.24Å |
| 428 | S | 47 | Very low | 40.4 | Very low | 104 Ų | 104 | 141 Ų | 141 | 73% | 0.727 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -80.6 | 40.3 | 178.6 | 68.2 | 0 | 0 | 0 | 0 | 113.3 | ||
| 429 | E | 50.8 | Low | 42.3 | Very low | 172 Ų | 172 | 138.6 Ų | 138.6 | 80% | 0.804 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -164.4 | 148 | 164 | -110.6 | 159.5 | -130.1 | 0 | 0 | 110.2 | D427 | D427-E429 PolarHBondContact O-N 3.24Š|
| 430 | L | 47.4 | Very low | 44 | Very low | 164 Ų | 164 | 136.9 Ų | 136.9 | 86% | 0.859 | 68% | 0.678 | S | S | * | * | trans | 75.6 | 47.5 | 173.6 | -50.7 | 179.9 | 0 | 0 | 0 | 120.6 | ||||
| 431 | V | 38.8 | Very low | 45.4 | Very low | 139 Ų | 139 | 133.2 Ų | 133.2 | 84% | 0.842 | 66% | 0.661 | S | S | * | * | trans | -137.2 | 75.1 | 143.9 | -166.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 432 | W | 41.2 | Very low | 47.1 | Very low | 257 Ų | 257 | 132.2 Ų | 132.2 | 97% | 0.973 | 65% | 0.648 | S | S | * | * | trans | -74.1 | 140.7 | 158.9 | -102.8 | 46.3 | 0 | 0 | 0 | 110 | D434 | W432-D434 PolarHBondContact O-N 2.73Š| ||
| 433 | L | 45.8 | Very low | 48.6 | Very low | 118 Ų | 118 | 127 Ų | 127 | 62% | 0.618 | 63% | 0.63 | S | S | * | * | trans | -57.1 | 124.7 | -169.5 | -81.9 | 62.5 | 0 | 0 | 0 | 111.6 | K435 Y438 | L433-K435 VanDerWaalsContact C-N 3.25Å; L433-K435 PolarHBondContact O-N 3.21Å; L433-Y438 HydrophobicContact CD2-CD2 3.53Å; L433-Y438 HydrophobicContact CD2-CE2 3.97Å; L433-Y438 HydrophobicContact CD2-CG 3.96Å; L433-Y438 HydrophobicContact CG-CD2 4.28Å | ||
| 434 | D | 48.4 | Very low | 50 | Low | 81 Ų | 81 | 128 Ų | 128 | 43% | 0.433 | 63% | 0.628 | S | S | . | * | trans | -68.2 | 87.5 | 164.8 | -166 | 14.4 | 0 | 0 | 0 | 108.4 | W432 W436 R437 Y438 | W432-D434 PolarHBondContact O-N 2.73Å; D434-W436 VanDerWaalsContact CG-CD1 3.48Å; D434-W436 PolarHBondContact O-N 3.11Å; D434-W436 VanDerWaalsContact O-N 3.07Å; D434-W436 PolarHBondContact OD1-NE1 2.84Å; D434-W436 PolarHBondContact OD2-NE1 2.84Å; D434-R437 HydrophobicContact CB-CB 4.47Å; D434-R437 HydrophobicContact CB-CG 4.22Å; D434-R437 WeakPolarHBondContact O-CA 3.11Å; D434-R437 WeakPolarHBondContact O-CB 3.43Å; D434-R437 PolarHBondContact O-N 2.87Å; D434-R437 WeakPolarHBondContact OD2-CD 3.27Å; D434-R437 WeakPolarHBondContact OD2-CG 3.37Å; D434-Y438 PolarHBondContact O-N 3.04Å | ||
| 435 | K | 56.8 | Low | 51.2 | Low | 137 Ų | 137 | 127 Ų | 127 | 60% | 0.596 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -52.9 | -38.4 | -161.4 | -172.2 | -174 | -179.1 | -60.2 | 0 | 113 | L433 R437 Y438 D439 | L433-K435 VanDerWaalsContact C-N 3.25Å; L433-K435 PolarHBondContact O-N 3.21Å; K435-R437 VanDerWaalsContact C-N 3.29Å; K435-R437 PolarHBondContact O-N 2.98Å; K435-Y438 PolarHBondContact O-N 3.27Å; K435-D439 IonicContact NZ-OD1 2.98Å; K435-D439 PolarHBondContact NZ-OD1 3.01Å; K435-D439 IonicContact NZ-OD2 2.7Å; K435-D439 PolarHBondContact NZ-OD2 3.44Å; K435-D439 WeakPolarHBondContact O-CB 3.33Å; K435-D439 PolarHBondContact O-N 3.01Å |
| 436 | W | 46 | Very low | 52.2 | Low | 173 Ų | 173 | 126.3 Ų | 126.3 | 66% | 0.655 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -64.8 | -30.7 | 178.8 | 79.3 | -85 | 0 | 0 | 0 | 113 | D434 A440 | D434-W436 VanDerWaalsContact CG-CD1 3.48Å; D434-W436 PolarHBondContact O-N 3.11Å; D434-W436 VanDerWaalsContact O-N 3.07Å; D434-W436 PolarHBondContact OD1-NE1 2.84Å; D434-W436 PolarHBondContact OD2-NE1 2.84Å; W436-A440 WeakPolarHBondContact O-CB 3.35Å; W436-A440 PolarHBondContact O-N 3.22Å |
| 437 | R | 49.5 | Very low | 52.3 | Low | 164 Ų | 164 | 124.4 Ų | 124.4 | 62% | 0.619 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -74.8 | -36.5 | 175.6 | -60.9 | -177.5 | 65.1 | -168.3 | -0.3 | 111.5 | D434 K435 A441 | D434-R437 HydrophobicContact CB-CB 4.47Å; D434-R437 HydrophobicContact CB-CG 4.22Å; D434-R437 WeakPolarHBondContact O-CA 3.11Å; D434-R437 WeakPolarHBondContact O-CB 3.43Å; D434-R437 PolarHBondContact O-N 2.87Å; D434-R437 WeakPolarHBondContact OD2-CD 3.27Å; D434-R437 WeakPolarHBondContact OD2-CG 3.37Å; K435-R437 VanDerWaalsContact C-N 3.29Å; K435-R437 PolarHBondContact O-N 2.98Å; R437-A441 WeakPolarHBondContact O-CB 3.37Å; R437-A441 PolarHBondContact O-N 3.1Å |
| 438 | Y | 56.2 | Low | 53.1 | Low | 132 Ų | 132 | 128.4 Ų | 128.4 | 52% | 0.518 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -67.1 | -50.8 | 174.2 | -159.1 | -80.1 | 0 | 0 | 0 | 110.4 | L433 D434 K435 A440 A441 E442 | L433-Y438 HydrophobicContact CD2-CD2 3.53Å; L433-Y438 HydrophobicContact CD2-CE2 3.97Å; L433-Y438 HydrophobicContact CD2-CG 3.96Å; L433-Y438 HydrophobicContact CG-CD2 4.28Å; D434-Y438 PolarHBondContact O-N 3.04Å; K435-Y438 PolarHBondContact O-N 3.27Å; Y438-A440 VanDerWaalsContact C-N 3.28Å; Y438-A440 PolarHBondContact O-N 2.9Å; Y438-A441 WeakPolarHBondContact O-CB 3.47Å; Y438-A441 PolarHBondContact O-N 2.65Å; Y438-E442 WeakPolarHBondContact O-CB 3.39Å; Y438-E442 PolarHBondContact O-N 2.94Å |
| 439 | D | 65.9 | Low | 53.1 | Low | 62 Ų | 62 | 125.6 Ų | 125.6 | 33% | 0.332 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -58.9 | -38 | 175.8 | -64.1 | -20.9 | 0 | 0 | 0 | 111.8 | K435 N443 | K435-D439 IonicContact NZ-OD1 2.98Å; K435-D439 PolarHBondContact NZ-OD1 3.01Å; K435-D439 IonicContact NZ-OD2 2.7Å; K435-D439 PolarHBondContact NZ-OD2 3.44Å; K435-D439 WeakPolarHBondContact O-CB 3.33Å; K435-D439 PolarHBondContact O-N 3.01Å; D439-N443 VanDerWaalsContact O-CB 3.3Å; D439-N443 WeakPolarHBondContact O-CB 3.43Å; D439-N443 PolarHBondContact O-N 3.48Å; D439-N443 PolarHBondContact O-ND2 3.01Å |
| 440 | A | 64.3 | Low | 52.8 | Low | 37 Ų | 37 | 124.4 Ų | 124.4 | 31% | 0.306 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -69.8 | -31.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | W436 Y438 R444 | W436-A440 WeakPolarHBondContact O-CB 3.35Å; W436-A440 PolarHBondContact O-N 3.22Å; Y438-A440 VanDerWaalsContact C-N 3.28Å; Y438-A440 PolarHBondContact O-N 2.9Å; A440-R444 WeakPolarHBondContact O-CB 3.29Å; A440-R444 WeakPolarHBondContact O-CD 3.5Å; A440-R444 VanDerWaalsContact O-CG 3.22Å; A440-R444 WeakPolarHBondContact O-CG 3.43Å; A440-R444 PolarHBondContact O-N 3.33Å |
| 441 | A | 58.6 | Low | 52.6 | Low | 57 Ų | 57 | 123.5 Ų | 123.5 | 47% | 0.471 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -73.4 | -43.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | R437 Y438 R444 F445 | R437-A441 WeakPolarHBondContact O-CB 3.37Å; R437-A441 PolarHBondContact O-N 3.1Å; Y438-A441 WeakPolarHBondContact O-CB 3.47Å; Y438-A441 PolarHBondContact O-N 2.65Å; A441-R444 PolarHBondContact O-N 3.28Å; A441-F445 WeakPolarHBondContact O-CB 3.17Å; A441-F445 PolarHBondContact O-N 3.39Å |
| 442 | E | 64.4 | Low | 52.9 | Low | 69 Ų | 69 | 125.8 Ų | 125.8 | 32% | 0.322 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -60.3 | -47.7 | 176.8 | -164.2 | 64.8 | -128.8 | 0 | 0 | 110.8 | Y438 R444 F445 Q446 | Y438-E442 WeakPolarHBondContact O-CB 3.39Å; Y438-E442 PolarHBondContact O-N 2.94Å; E442-R444 VanDerWaalsContact C-N 3.32Å; E442-R444 PolarHBondContact O-N 3.12Å; E442-F445 WeakPolarHBondContact O-CB 3.5Å; E442-F445 PolarHBondContact O-N 2.96Å; E442-F445 VanDerWaalsContact O-N 3.09Å; E442-Q446 WeakPolarHBondContact O-CG 3.34Å; E442-Q446 PolarHBondContact O-N 2.9Å |
| 443 | N | 63.9 | Low | 52.8 | Low | 96 Ų | 96 | 119.9 Ų | 119.9 | 51% | 0.513 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -62.5 | -35.2 | 175.2 | -74.6 | -26.3 | 0 | 0 | 0 | 113 | D439 S447 | D439-N443 VanDerWaalsContact O-CB 3.3Å; D439-N443 WeakPolarHBondContact O-CB 3.43Å; D439-N443 PolarHBondContact O-N 3.48Å; D439-N443 PolarHBondContact O-ND2 3.01Å; N443-S447 WeakPolarHBondContact O-CB 3.4Å; N443-S447 PolarHBondContact O-N 2.9Å; N443-S447 PolarHBondContact O-OG 3.47Å |
| 444 | R | 56.7 | Low | 52.4 | Low | 194 Ų | 194 | 120 Ų | 120 | 73% | 0.732 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -71.4 | -32.3 | 173.5 | -75.8 | 173.1 | 179.3 | -164.1 | 1.3 | 112.5 | A440 A441 E442 R448 | A440-R444 WeakPolarHBondContact O-CB 3.29Å; A440-R444 WeakPolarHBondContact O-CD 3.5Å; A440-R444 VanDerWaalsContact O-CG 3.22Å; A440-R444 WeakPolarHBondContact O-CG 3.43Å; A440-R444 PolarHBondContact O-N 3.33Å; A441-R444 PolarHBondContact O-N 3.28Å; E442-R444 VanDerWaalsContact C-N 3.32Å; E442-R444 PolarHBondContact O-N 3.12Å; R444-R448 PolarHBondContact O-N 3Å |
| 445 | F | 60.7 | Low | 51.6 | Low | 156 Ų | 156 | 120.8 Ų | 120.8 | 68% | 0.684 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -70.8 | -47.1 | 175.6 | -176.3 | -106.4 | 0 | 0 | 0 | 111.1 | A441 E442 S447 R448 G449 | A441-F445 WeakPolarHBondContact O-CB 3.17Å; A441-F445 PolarHBondContact O-N 3.39Å; E442-F445 WeakPolarHBondContact O-CB 3.5Å; E442-F445 PolarHBondContact O-N 2.96Å; E442-F445 VanDerWaalsContact O-N 3.09Å; F445-S447 PolarHBondContact O-N 3Å; F445-R448 CarbonylContact O-C 3.59Å; F445-R448 PolarHBondContact O-N 3.16Å; F445-G449 PolarHBondContact O-N 3.43Å |
| 446 | Q | 53 | Low | 50.2 | Low | 107 Ų | 107 | 122.6 Ų | 122.6 | 50% | 0.5 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -63.1 | -41.6 | 176.1 | -67.3 | 177.2 | 18.8 | 0 | 0 | 112.1 | E442 R448 G449 L450 | E442-Q446 WeakPolarHBondContact O-CG 3.34Å; E442-Q446 PolarHBondContact O-N 2.9Å; Q446-R448 VanDerWaalsContact C-N 3.3Å; Q446-R448 PolarHBondContact O-N 3.22Å; Q446-G449 WeakPolarHBondContact O-CA 3.38Å; Q446-G449 PolarHBondContact O-N 3.23Å; Q446-L450 PolarHBondContact O-N 3.34Å |
| 447 | S | 46.3 | Very low | 49.6 | Very low | 76 Ų | 76 | 123.7 Ų | 123.7 | 53% | 0.531 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -59.8 | -38.3 | 173.7 | -59.2 | 0 | 0 | 0 | 0 | 112.3 | N443 F445 G449 | N443-S447 WeakPolarHBondContact O-CB 3.4Å; N443-S447 PolarHBondContact O-N 2.9Å; N443-S447 PolarHBondContact O-OG 3.47Å; F445-S447 PolarHBondContact O-N 3Å; S447-G449 VanDerWaalsContact C-N 3.3Å; S447-G449 PolarHBondContact O-N 2.83Å |
| 448 | R | 52.7 | Low | 48.9 | Very low | 202 Ų | 202 | 124.7 Ų | 124.7 | 76% | 0.762 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -75.9 | -13.4 | 173.5 | -80.2 | -175.5 | 171.3 | -125.3 | -2.5 | 114.5 | R444 F445 Q446 | R444-R448 PolarHBondContact O-N 3Å; F445-R448 CarbonylContact O-C 3.59Å; F445-R448 PolarHBondContact O-N 3.16Å; Q446-R448 VanDerWaalsContact C-N 3.3Å; Q446-R448 PolarHBondContact O-N 3.22Å |
| 449 | G | 48 | Very low | 47.7 | Very low | 45 Ų | 45 | 124.9 Ų | 124.9 | 46% | 0.464 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -75.8 | -36.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | F445 Q446 S447 | F445-G449 PolarHBondContact O-N 3.43Å; Q446-G449 WeakPolarHBondContact O-CA 3.38Å; Q446-G449 PolarHBondContact O-N 3.23Å; S447-G449 VanDerWaalsContact C-N 3.3Å; S447-G449 PolarHBondContact O-N 2.83Å |
| 450 | L | 43.8 | Very low | 46 | Very low | 147 Ų | 147 | 133.2 Ų | 133.2 | 77% | 0.77 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -77.3 | -33.2 | -178.4 | -72.6 | 166.9 | 0 | 0 | 0 | 113.3 | Q446 K452 | Q446-L450 PolarHBondContact O-N 3.34Å; L450-K452 PolarHBondContact O-N 3.37Å; L450-K452 VanDerWaalsContact O-N 3.14Å |
| 451 | D | 44.1 | Very low | 44.3 | Very low | 145 Ų | 145 | 142.2 Ų | 142.2 | 78% | 0.775 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | 3.7 | 177.1 | -78.4 | -24.2 | 0 | 0 | 0 | 114.7 | ||
| 452 | K | 43.8 | Very low | 43.7 | Very low | 187 Ų | 187 | 143.8 Ų | 143.8 | 81% | 0.813 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.9 | 15.1 | 178.7 | -79.8 | -171.7 | 172.9 | -176.1 | 0 | 115.2 | L450 | L450-K452 PolarHBondContact O-N 3.37Å; L450-K452 VanDerWaalsContact O-N 3.14Å |
| 453 | V | 39.6 | Very low | 41.9 | Very low | 132 Ų | 132 | 149 Ų | 149 | 80% | 0.8 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -122.4 | 43 | 172.6 | -161.9 | 0 | 0 | 0 | 0 | 112 | ||
| 454 | C | 37.4 | Very low | 40.2 | Very low | 122 Ų | 122 | 148.6 Ų | 148.6 | 82% | 0.824 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -156.3 | 76.8 | 162.2 | -162.1 | 0 | 0 | 0 | 0 | 114.1 | ||
| 455 | A | 30.9 | Very low | 38.8 | Very low | 97 Ų | 97 | 146.6 Ų | 146.6 | 80% | 0.802 | 74% | 0.739 | S | S | * | * | trans | -166.8 | 147.1 | 150.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 456 | E | 27.7 | Very low | 37.3 | Very low | 175 Ų | 175 | 146.7 Ų | 146.7 | 82% | 0.818 | 74% | 0.74 | S | S | * | * | trans | 77.1 | 80.6 | 151.8 | -159.4 | 164.7 | -137.8 | 0 | 0 | 120.5 | ||||
| 457 | K | 33.7 | Very low | 36 | Very low | 195 Ų | 195 | 146.4 Ų | 146.4 | 85% | 0.848 | 75% | 0.749 | S | S | * | * | -171.2 | 105.4 | 104.6 | -106.6 | 163.8 | -175.4 | 167.1 | 0 | 117 | |||||
| 458 | K | 35.5 | Very low | 35.1 | Very low | 185 Ų | 185 | 148.1 Ų | 148.1 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | 25.7 | 112.1 | 129.9 | -148.7 | 170 | -172.3 | 174.2 | 0 | 120.5 | |||||
| 459 | N | 30.5 | Very low | 34 | Very low | 137 Ų | 137 | 143.1 Ų | 143.1 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | trans | 68.3 | 114.7 | 143.7 | -70.9 | -12.5 | 0 | 0 | 0 | 124.2 | ||||
| 460 | R | 30.3 | Very low | 33 | Very low | 237 Ų | 237 | 146.6 Ų | 146.6 | 89% | 0.894 | 78% | 0.78 | S | S | * | * | trans | 48.2 | 118.8 | 134.1 | -64.9 | -170.1 | 176 | -163.8 | -0.4 | 122.8 | ||||
| 461 | R | 29.6 | Very low | 32.4 | Very low | 225 Ų | 225 | 145.4 Ų | 145.4 | 85% | 0.849 | 78% | 0.784 | S | S | * | * | 14 | 161.8 | 128 | -94.5 | -162.4 | 114.7 | 178.5 | 0.7 | 120.7 | |||||
| 462 | P | 45.8 | Very low | 31.8 | Very low | 91 Ų | 91 | 147.8 Ų | 147.8 | 59% | 0.591 | 79% | 0.788 | S | S | * | * | cis | -146 | -170.1 | -19.8 | 38.3 | -16.8 | 0 | 0 | 0 | 116.7 | ||||
| 463 | E | 26 | Very low | 31.1 | Very low | 178 Ų | 178 | 146.9 Ų | 146.9 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | trans | 97.6 | 152.4 | 148.5 | -66.1 | -93.9 | 123.5 | 0 | 0 | 122.6 | ||||
| 464 | A | 29.2 | Very low | 31.4 | Very low | 87 Ų | 87 | 145 Ų | 145 | 72% | 0.719 | 78% | 0.779 | S | S | * | * | trans | 86.7 | 93.4 | 158.6 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 465 | E | 26.5 | Very low | 31.1 | Very low | 153 Ų | 153 | 147.8 Ų | 147.8 | 72% | 0.715 | 78% | 0.777 | S | S | * | * | 46.5 | 137.3 | 122.4 | -64.6 | -156.4 | 132.9 | 0 | 0 | 126 | |||||
| 466 | K | 28.4 | Very low | 31.3 | Very low | 158 Ų | 158 | 153.8 Ų | 153.8 | 69% | 0.687 | 78% | 0.779 | S | S | * | * | trans | 82.7 | 116 | 135 | -77.8 | 166.1 | -172.3 | 151 | 0 | 123.5 | ||||
| 467 | S | 26.9 | Very low | 31.9 | Very low | 101 Ų | 101 | 153.2 Ų | 153.2 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | 67.6 | 120.3 | 129.4 | 66.5 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 468 | S | 27.2 | Very low | 32.2 | Very low | 112 Ų | 112 | 153.2 Ų | 153.2 | 78% | 0.783 | 78% | 0.781 | S | S | * | * | 77.6 | 125.3 | 127.3 | 67.3 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 469 | A | 28.3 | Very low | 32.6 | Very low | 97 Ų | 97 | 153.9 Ų | 153.9 | 80% | 0.802 | 79% | 0.785 | S | S | * | * | trans | 83.6 | 110.3 | 133.8 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 470 | S | 27.5 | Very low | 33.1 | Very low | 117 Ų | 117 | 154 Ų | 154 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | 62.6 | 114.2 | 132.4 | -161.7 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 471 | S | 31.2 | Very low | 34.2 | Very low | 122 Ų | 122 | 145.3 Ų | 145.3 | 85% | 0.853 | 76% | 0.758 | S | S | * | * | -162.9 | 166.1 | 122.1 | 57.2 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 472 | K | 31.8 | Very low | 35 | Very low | 195 Ų | 195 | 139 Ų | 139 | 85% | 0.848 | 75% | 0.748 | S | S | * | * | trans | -106.7 | 160 | -166.7 | -75.3 | -177.8 | 172.9 | 177.5 | 0 | 114.6 | ||||
| 473 | M | 29.4 | Very low | 35.5 | Very low | 168 Ų | 168 | 139.7 Ų | 139.7 | 83% | 0.828 | 75% | 0.751 | S | S | * | * | trans | 88.6 | 158.8 | 155.5 | -50.8 | -149 | 76.6 | 0 | 0 | 117.8 | ||||
| 474 | P | 45 | Very low | 36.8 | Very low | 93 Ų | 93 | 135.4 Ų | 135.4 | 60% | 0.604 | 73% | 0.733 | S | S | * | * | -136.8 | -175.6 | -55 | 38.5 | -22.8 | 0 | 0 | 0 | 113.2 | |||||
| 475 | K | 31.2 | Very low | 37.8 | Very low | 180 Ų | 180 | 137.7 Ų | 137.7 | 78% | 0.783 | 73% | 0.727 | S | S | * | * | trans | 76.7 | 117.4 | 170.5 | -52.3 | 173.4 | 179.5 | -178.9 | 0 | 116.9 | ||||
| 476 | R | 34.7 | Very low | 39 | Very low | 223 Ų | 223 | 135.6 Ų | 135.6 | 84% | 0.842 | 72% | 0.72 | S | S | * | * | -172.6 | 144.9 | 89.5 | -93.8 | 177.4 | -176.5 | 90.3 | -6.4 | 110.3 | K478 | R476-K478 PolarHBondContact O-N 2.88Š| |||
| 477 | D | 40.5 | Very low | 40.1 | Very low | 163 Ų | 163 | 132 Ų | 132 | 87% | 0.872 | 72% | 0.72 | S | S | * | * | trans | -62.9 | 114 | 179 | -50.3 | -79.6 | 0 | 0 | 0 | 110.3 | K479 | D477-K479 VanDerWaalsContact C-N 3.32Å; D477-K479 PolarHBondContact O-N 3.39Å | ||
| 478 | K | 39.8 | Very low | 41.1 | Very low | 195 Ų | 195 | 135 Ų | 135 | 85% | 0.848 | 72% | 0.722 | S | S | * | * | trans | -81.5 | 86.4 | 175.5 | -166.6 | 169 | -176.7 | -178.9 | 0 | 108.6 | R476 M480 | R476-K478 PolarHBondContact O-N 2.88Å; K478-M480 PolarHBondContact O-N 2.84Å | ||
| 479 | K | 45.3 | Very low | 42.1 | Very low | 200 Ų | 200 | 134 Ų | 134 | 87% | 0.87 | 71% | 0.706 | S | S | * | * | trans | -53.4 | 101.4 | 166.9 | -164.9 | 173.9 | -172.5 | 178.8 | 0 | 107.9 | D477 | D477-K479 VanDerWaalsContact C-N 3.32Å; D477-K479 PolarHBondContact O-N 3.39Å | ||
| 480 | M | 40.7 | Very low | 43.4 | Very low | 140 Ų | 140 | 136.5 Ų | 136.5 | 69% | 0.69 | 70% | 0.699 | S | S | * | * | trans | -61 | 138.7 | 173.7 | -67.5 | -176.4 | 174.8 | 0 | 0 | 108.1 | K478 | K478-M480 PolarHBondContact O-N 2.84Š| ||
| 481 | S | 53.7 | Low | 44.6 | Very low | 53 Ų | 53 | 135.7 Ų | 135.7 | 37% | 0.371 | 68% | 0.684 | S | S | . | * | trans | -79.4 | 151.8 | -177.6 | 78.3 | 0 | 0 | 0 | 0 | 109.5 | V483 D484 | S481-V483 PolarHBondContact O-N 2.82Å; S481-D484 WeakPolarHBondContact CB-OD2 3.32Å; S481-D484 PolarHBondContact N-OD2 3.31Å; S481-D484 WeakPolarHBondContact O-CB 3.47Å; S481-D484 PolarHBondContact O-N 3.47Å; S481-D484 PolarHBondContact OG-OD2 3.08Å | ||
| 482 | S | 45.6 | Very low | 45.5 | Very low | 93 Ų | 93 | 139.6 Ų | 139.6 | 65% | 0.65 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -59.8 | -17.1 | 177.3 | -164.4 | 0 | 0 | 0 | 0 | 113.3 | ||
| 483 | V | 56.6 | Low | 46.3 | Very low | 106 Ų | 106 | 138.9 Ų | 138.9 | 64% | 0.642 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -76.6 | -32.3 | 177.7 | -170.6 | 0 | 0 | 0 | 0 | 111.3 | S481 F485 L486 A487 | S481-V483 PolarHBondContact O-N 2.82Å; V483-F485 VanDerWaalsContact C-N 3.29Å; V483-F485 PolarHBondContact O-N 2.94Å; V483-L486 PolarHBondContact O-N 3.03Å; V483-A487 PolarHBondContact O-N 3.2Å |
| 484 | D | 52.7 | Low | 47.5 | Very low | 88 Ų | 88 | 133.6 Ų | 133.6 | 47% | 0.471 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -69.3 | -28.3 | 178.1 | -56.7 | -62.3 | 0 | 0 | 0 | 111.8 | S481 | S481-D484 WeakPolarHBondContact CB-OD2 3.32Å; S481-D484 PolarHBondContact N-OD2 3.31Å; S481-D484 WeakPolarHBondContact O-CB 3.47Å; S481-D484 PolarHBondContact O-N 3.47Å; S481-D484 PolarHBondContact OG-OD2 3.08Å |
| 485 | F | 50 | Low | 48.8 | Very low | 134 Ų | 134 | 133.3 Ų | 133.3 | 59% | 0.588 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -70.7 | -49.6 | 173.8 | -91.3 | -93.9 | 0 | 0 | 0 | 112.1 | V483 A487 Q488 | V483-F485 VanDerWaalsContact C-N 3.29Å; V483-F485 PolarHBondContact O-N 2.94Å; F485-A487 VanDerWaalsContact C-N 3.25Å; F485-A487 PolarHBondContact O-N 3.23Å; F485-Q488 PolarHBondContact O-N 3.49Å |
| 486 | L | 52.9 | Low | 50.9 | Low | 110 Ų | 110 | 129 Ų | 129 | 58% | 0.576 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -63.2 | -30.2 | -178.6 | -68.3 | 167.8 | 0 | 0 | 0 | 112.7 | V483 Q488 E489 | V483-L486 PolarHBondContact O-N 3.03Å; L486-Q488 PolarHBondContact O-N 3.21Å; L486-E489 PolarHBondContact O-N 3.28Å |
| 487 | A | 51.3 | Low | 52.6 | Low | 81 Ų | 81 | 126.8 Ų | 126.8 | 67% | 0.669 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | -17.6 | 175 | 0 | 0 | 0 | 0 | 0 | 113.9 | V483 F485 | V483-A487 PolarHBondContact O-N 3.2Å; F485-A487 VanDerWaalsContact C-N 3.25Å; F485-A487 PolarHBondContact O-N 3.23Å |
| 488 | Q | 48.6 | Very low | 54 | Low | 164 Ų | 164 | 125.4 Ų | 125.4 | 77% | 0.766 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.1 | -9.9 | 179.1 | -127.1 | 74.3 | 50.5 | 0 | 0 | 113.2 | F485 L486 K490 | F485-Q488 PolarHBondContact O-N 3.49Å; L486-Q488 PolarHBondContact O-N 3.21Å; Q488-K490 PolarHBondContact O-N 3.07Å; Q488-K490 VanDerWaalsContact O-N 3.12Å |
| 489 | E | 47.6 | Very low | 55.8 | Low | 92 Ų | 92 | 118.8 Ų | 118.8 | 43% | 0.43 | 58% | 0.579 | S | S | . | * | trans | -77.1 | 97.8 | -178.7 | -73.9 | -178.5 | 178.2 | 0 | 0 | 111.8 | L486 I491 | L486-E489 PolarHBondContact O-N 3.28Å; E489-I491 HydrophobicContact CB-CD1 4.36Å; E489-I491 HydrophobicContact CB-CG1 4.38Å; E489-I491 HydrophobicContact CG-CD1 4.37Å; E489-I491 PolarHBondContact O-N 3.2Å | ||
| 490 | K | 54.8 | Low | 57.2 | Low | 150 Ų | 150 | 112.1 Ų | 112.1 | 65% | 0.652 | 55% | 0.551 | S | S | * | * | G | 310 helix | trans | -55.7 | -16.5 | 171.3 | -81.7 | -174.4 | 172.4 | -175.7 | 0 | 114.5 | Q488 W492 F493 E494 | Q488-K490 PolarHBondContact O-N 3.07Å; Q488-K490 VanDerWaalsContact O-N 3.12Å; K490-W492 PolarHBondContact O-N 3.07Å; K490-W492 VanDerWaalsContact O-N 3.16Å; K490-F493 PolarHBondContact O-N 2.8Å; K490-E494 PolarHBondContact O-N 3.43Å |
| 491 | I | 53.9 | Low | 58.9 | Low | 99 Ų | 99 | 108.1 Ų | 108.1 | 51% | 0.508 | 54% | 0.54 | S | S | . | . | G | 310 helix | trans | -50.3 | -42.1 | -176.7 | -52.8 | 172.5 | 0 | 0 | 0 | 111.1 | E489 E494 K495 | E489-I491 HydrophobicContact CB-CD1 4.36Å; E489-I491 HydrophobicContact CB-CG1 4.38Å; E489-I491 HydrophobicContact CG-CD1 4.37Å; E489-I491 PolarHBondContact O-N 3.2Å; I491-E494 PolarHBondContact O-N 2.91Å; I491-K495 PolarHBondContact O-N 3.17Å |
| 492 | W | 49.9 | Very low | 60.1 | Low | 205 Ų | 205 | 110.4 Ų | 110.4 | 78% | 0.777 | 55% | 0.545 | S | S | * | . | G | 310 helix | trans | -73.5 | -31.3 | -179 | -154.2 | -98.8 | 0 | 0 | 0 | 113.9 | K490 K495 | K490-W492 PolarHBondContact O-N 3.07Å; K490-W492 VanDerWaalsContact O-N 3.16Å; W492-K495 WeakPolarHBondContact O-CB 3.4Å |
| 493 | F | 47.5 | Very low | 61.7 | Low | 180 Ų | 180 | 112.3 Ų | 112.3 | 79% | 0.789 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -26.5 | 175.2 | -72.3 | -81.1 | 0 | 0 | 0 | 112.7 | K490 | K490-F493 PolarHBondContact O-N 2.8Š|
| 494 | E | 55.7 | Low | 62.5 | Low | 56 Ų | 56 | 114.8 Ų | 114.8 | 26% | 0.262 | 54% | 0.536 | S | S | . | . | S | Bend | trans | -92 | 0.7 | 175.4 | -64.7 | -165.2 | 137.9 | 0 | 0 | 113.2 | K490 I491 P496 R497 Y498 | K490-E494 PolarHBondContact O-N 3.43Å; I491-E494 PolarHBondContact O-N 2.91Å; E494-P496 VanDerWaalsContact C-CD 3.47Å; E494-P496 VanDerWaalsContact C-N 3.34Å; E494-R497 WeakPolarHBondContact O-CA 3.5Å; E494-R497 VanDerWaalsContact O-CB 3.28Å; E494-R497 WeakPolarHBondContact O-CB 3.2Å; E494-R497 PolarHBondContact O-N 2.81Å; E494-R497 IonicContact OE1-NH1 2.61Å; E494-R497 PolarHBondContact OE1-NH1 3.43Å; E494-Y498 HydrophobicContact CB-CD2 4.01Å; E494-Y498 HydrophobicContact CB-CE2 3.74Å; E494-Y498 WeakPolarHBondContact O-CD2 3.37Å; E494-Y498 PolarHBondContact O-N 3.11Å |
| 495 | K | 72.5 | Confident | 63.6 | Low | 88 Ų | 88 | 116 Ų | 116 | 38% | 0.383 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -42.4 | -49.3 | 174.2 | -167.1 | -169.1 | -177.9 | -50.6 | 0 | 114 | I491 W492 R497 Y498 D499 | I491-K495 PolarHBondContact O-N 3.17Å; W492-K495 WeakPolarHBondContact O-CB 3.4Å; K495-R497 PolarHBondContact O-N 3.09Å; K495-Y498 CarbonylContact O-C 3.57Å; K495-Y498 PolarHBondContact O-N 2.97Å; K495-Y498 VanDerWaalsContact O-N 3.08Å; K495-D499 IonicContact NZ-OD1 3.3Å; K495-D499 PolarHBondContact NZ-OD1 3.01Å; K495-D499 IonicContact NZ-OD2 2.76Å; K495-D499 PolarHBondContact NZ-OD2 3.46Å; K495-D499 WeakPolarHBondContact O-CB 3.49Å; K495-D499 PolarHBondContact O-N 3.05Å |
| 496 | P | 75.2 | Confident | 64.6 | Low | 88 Ų | 88 | 115.5 Ų | 115.5 | 57% | 0.571 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.4 | -22 | 177.6 | 25 | -35.4 | 0 | 0 | 0 | 114.6 | E494 E500 | E494-P496 VanDerWaalsContact C-CD 3.47Å; E494-P496 VanDerWaalsContact C-N 3.34Å; P496-E500 VanDerWaalsContact O-CB 3.27Å; P496-E500 WeakPolarHBondContact O-CB 3.28Å; P496-E500 PolarHBondContact O-N 3.41Å; P496-E500 VanDerWaalsContact O-N 3.15Å |
| 497 | R | 70.3 | Confident | 65.6 | Low | 177 Ų | 177 | 115.8 Ų | 115.8 | 67% | 0.668 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -78.7 | -37.6 | 171.4 | -64.4 | 176.9 | 166.9 | 177.6 | -8.9 | 111.7 | E494 K495 A501 | E494-R497 WeakPolarHBondContact O-CA 3.5Å; E494-R497 VanDerWaalsContact O-CB 3.28Å; E494-R497 WeakPolarHBondContact O-CB 3.2Å; E494-R497 PolarHBondContact O-N 2.81Å; E494-R497 IonicContact OE1-NH1 2.61Å; E494-R497 PolarHBondContact OE1-NH1 3.43Å; K495-R497 PolarHBondContact O-N 3.09Å; R497-A501 VanDerWaalsContact O-CB 3.27Å; R497-A501 WeakPolarHBondContact O-CB 3.26Å; R497-A501 PolarHBondContact O-N 3.43Å |
| 498 | Y | 69.1 | Low | 66.3 | Low | 134 Ų | 134 | 120.5 Ų | 120.5 | 53% | 0.525 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -67.6 | -43.9 | 172.6 | -72.5 | -73.3 | 0 | 0 | 0 | 111.2 | E494 K495 E500 A501 E502 | E494-Y498 HydrophobicContact CB-CD2 4.01Å; E494-Y498 HydrophobicContact CB-CE2 3.74Å; E494-Y498 WeakPolarHBondContact O-CD2 3.37Å; E494-Y498 PolarHBondContact O-N 3.11Å; K495-Y498 CarbonylContact O-C 3.57Å; K495-Y498 PolarHBondContact O-N 2.97Å; K495-Y498 VanDerWaalsContact O-N 3.08Å; Y498-E500 VanDerWaalsContact C-N 3.32Å; Y498-E500 PolarHBondContact O-N 3.5Å; Y498-A501 PolarHBondContact O-N 3.44Å; Y498-E502 VanDerWaalsContact O-CB 3.23Å; Y498-E502 WeakPolarHBondContact O-CB 3.47Å; Y498-E502 PolarHBondContact O-N 3.1Å |
| 499 | D | 78.4 | Confident | 66.7 | Low | 57 Ų | 57 | 117.6 Ų | 117.6 | 31% | 0.305 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.7 | -38.4 | 174.8 | -61.4 | -13.6 | 0 | 0 | 0 | 111.7 | K495 R503 | K495-D499 IonicContact NZ-OD1 3.3Å; K495-D499 PolarHBondContact NZ-OD1 3.01Å; K495-D499 IonicContact NZ-OD2 2.76Å; K495-D499 PolarHBondContact NZ-OD2 3.46Å; K495-D499 WeakPolarHBondContact O-CB 3.49Å; K495-D499 PolarHBondContact O-N 3.05Å; D499-R503 VanDerWaalsContact O-CB 3.3Å; D499-R503 WeakPolarHBondContact O-CB 3.43Å; D499-R503 PolarHBondContact O-N 3.46Å |
| 500 | E | 74.6 | Confident | 67.4 | Low | 60 Ų | 60 | 120.3 Ų | 120.3 | 28% | 0.28 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -72.6 | -37.8 | 174.4 | 174.8 | 66.3 | -172.8 | 0 | 0 | 112.4 | P496 Y498 R503 R504 | P496-E500 VanDerWaalsContact O-CB 3.27Å; P496-E500 WeakPolarHBondContact O-CB 3.28Å; P496-E500 PolarHBondContact O-N 3.41Å; P496-E500 VanDerWaalsContact O-N 3.15Å; Y498-E500 VanDerWaalsContact C-N 3.32Å; Y498-E500 PolarHBondContact O-N 3.5Å; E500-R503 IonicContact OE2-CZ 2.75Å; E500-R503 IonicContact OE2-NH1 2.78Å; E500-R503 PolarHBondContact OE2-NH1 2.76Å; E500-R504 WeakPolarHBondContact O-CB 3.42Å; E500-R504 VanDerWaalsContact O-CG 3.31Å; E500-R504 WeakPolarHBondContact O-CG 3.43Å; E500-R504 PolarHBondContact O-N 3.17Å; E500-R504 IonicContact OE1-CZ 2.64Å; E500-R504 VanDerWaalsContact OE1-CZ 3.22Å; E500-R504 IonicContact OE1-NE 3.21Å; E500-R504 PolarHBondContact OE1-NE 2.84Å; E500-R504 IonicContact OE1-NH2 2.9Å; E500-R504 PolarHBondContact OE1-NH2 3.29Å |
| 501 | A | 76.6 | Confident | 67.4 | Low | 55 Ų | 55 | 116.2 Ų | 116.2 | 46% | 0.455 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67.8 | -39 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | R497 Y498 R504 F505 | R497-A501 VanDerWaalsContact O-CB 3.27Å; R497-A501 WeakPolarHBondContact O-CB 3.26Å; R497-A501 PolarHBondContact O-N 3.43Å; Y498-A501 PolarHBondContact O-N 3.44Å; A501-R504 PolarHBondContact O-N 3.44Å; A501-F505 VanDerWaalsContact O-CB 3.29Å; A501-F505 WeakPolarHBondContact O-CB 3.45Å; A501-F505 PolarHBondContact O-N 3.08Å |
| 502 | E | 77.7 | Confident | 67.3 | Low | 101 Ų | 101 | 114.2 Ų | 114.2 | 47% | 0.472 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.8 | -45.3 | 173.9 | -178 | 172.5 | -148.2 | 0 | 0 | 110.9 | Y498 R504 F505 Y506 | Y498-E502 VanDerWaalsContact O-CB 3.23Å; Y498-E502 WeakPolarHBondContact O-CB 3.47Å; Y498-E502 PolarHBondContact O-N 3.1Å; E502-R504 PolarHBondContact O-N 2.62Å; E502-F505 WeakPolarHBondContact O-CB 3.31Å; E502-F505 PolarHBondContact O-N 3.05Å; E502-F505 VanDerWaalsContact O-N 3.15Å; E502-Y506 HydrophobicContact CG-CD2 3.73Å; E502-Y506 HydrophobicContact CG-CE2 3.45Å; E502-Y506 VanDerWaalsContact CG-CE2 3.45Å; E502-Y506 WeakPolarHBondContact O-CD2 3.33Å; E502-Y506 PolarHBondContact O-N 2.82Å |
| 503 | R | 80.8 | Confident | 67.1 | Low | 134 Ų | 134 | 109.5 Ų | 109.5 | 51% | 0.506 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -55.2 | -50.4 | 171.1 | -178.3 | -175.3 | -61.1 | 131.8 | 2.7 | 111.3 | D499 E500 F505 Y506 E507 | D499-R503 VanDerWaalsContact O-CB 3.3Å; D499-R503 WeakPolarHBondContact O-CB 3.43Å; D499-R503 PolarHBondContact O-N 3.46Å; E500-R503 IonicContact OE2-CZ 2.75Å; E500-R503 IonicContact OE2-NH1 2.78Å; E500-R503 PolarHBondContact OE2-NH1 2.76Å; R503-F505 VanDerWaalsContact C-N 3.28Å; R503-F505 PolarHBondContact O-N 3.41Å; R503-Y506 PolarHBondContact O-N 3.33Å; R503-E507 HydrophobicContact CG-CG 4.39Å; R503-E507 VanDerWaalsContact CG-OE1 3.31Å; R503-E507 WeakPolarHBondContact CG-OE1 3.46Å; R503-E507 WeakPolarHBondContact O-CB 3.43Å; R503-E507 WeakPolarHBondContact O-CG 3.33Å; R503-E507 PolarHBondContact O-N 3.46Å |
| 504 | R | 72.7 | Confident | 67.2 | Low | 158 Ų | 158 | 108.2 Ų | 108.2 | 60% | 0.596 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.3 | -31.1 | 177.5 | -73.6 | 178.9 | -172.4 | -131.3 | -4.2 | 113.2 | E500 A501 E502 R508 | E500-R504 WeakPolarHBondContact O-CB 3.42Å; E500-R504 VanDerWaalsContact O-CG 3.31Å; E500-R504 WeakPolarHBondContact O-CG 3.43Å; E500-R504 PolarHBondContact O-N 3.17Å; E500-R504 IonicContact OE1-CZ 2.64Å; E500-R504 VanDerWaalsContact OE1-CZ 3.22Å; E500-R504 IonicContact OE1-NE 3.21Å; E500-R504 PolarHBondContact OE1-NE 2.84Å; E500-R504 IonicContact OE1-NH2 2.9Å; E500-R504 PolarHBondContact OE1-NH2 3.29Å; A501-R504 PolarHBondContact O-N 3.44Å; E502-R504 PolarHBondContact O-N 2.62Å; R504-R508 WeakPolarHBondContact O-CB 3.49Å; R504-R508 PolarHBondContact O-N 2.89Å |
| 505 | F | 74.9 | Confident | 67.1 | Low | 113 Ų | 113 | 111 Ų | 111 | 50% | 0.496 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -68.1 | -45.3 | 174.4 | 175.9 | -99.1 | 0 | 0 | 0 | 111.3 | A501 E502 R503 R508 M509 | A501-F505 VanDerWaalsContact O-CB 3.29Å; A501-F505 WeakPolarHBondContact O-CB 3.45Å; A501-F505 PolarHBondContact O-N 3.08Å; E502-F505 WeakPolarHBondContact O-CB 3.31Å; E502-F505 PolarHBondContact O-N 3.05Å; E502-F505 VanDerWaalsContact O-N 3.15Å; R503-F505 VanDerWaalsContact C-N 3.28Å; R503-F505 PolarHBondContact O-N 3.41Å; F505-R508 PolarHBondContact O-N 3Å; F505-M509 HydrophobicContact CE1-CE 3.83Å; F505-M509 HydrophobicContact CE1-SD 4.32Å; F505-M509 HydrophobicContact CE2-CE 4.46Å; F505-M509 HydrophobicContact CZ-CE 3.58Å; F505-M509 PolarHBondContact O-N 2.75Å |
| 506 | Y | 71.3 | Confident | 66.2 | Low | 123 Ų | 123 | 114.7 Ų | 114.7 | 48% | 0.482 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -70.7 | -35.7 | 174.8 | -72.6 | -62.8 | 0 | 0 | 0 | 113 | E502 R503 R508 M509 N510 | E502-Y506 HydrophobicContact CG-CD2 3.73Å; E502-Y506 HydrophobicContact CG-CE2 3.45Å; E502-Y506 VanDerWaalsContact CG-CE2 3.45Å; E502-Y506 WeakPolarHBondContact O-CD2 3.33Å; E502-Y506 PolarHBondContact O-N 2.82Å; R503-Y506 PolarHBondContact O-N 3.33Å; Y506-R508 VanDerWaalsContact C-N 3.31Å; Y506-R508 PolarHBondContact O-N 3.35Å; Y506-M509 PolarHBondContact O-N 3.07Å; Y506-N510 WeakPolarHBondContact O-CB 3.44Å; Y506-N510 PolarHBondContact O-N 3.19Å; Y506-N510 PolarHBondContact O-OD1 3Å |
| 507 | E | 73.6 | Confident | 65 | Low | 116 Ų | 116 | 118.9 Ų | 118.9 | 54% | 0.542 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -64.5 | -34.4 | 170.1 | -74.1 | 171.5 | -178.2 | 0 | 0 | 111.9 | R503 G511 | R503-E507 HydrophobicContact CG-CG 4.39Å; R503-E507 VanDerWaalsContact CG-OE1 3.31Å; R503-E507 WeakPolarHBondContact CG-OE1 3.46Å; R503-E507 WeakPolarHBondContact O-CB 3.43Å; R503-E507 WeakPolarHBondContact O-CG 3.33Å; R503-E507 PolarHBondContact O-N 3.46Å; E507-G511 VanDerWaalsContact O-CA 3.31Å; E507-G511 WeakPolarHBondContact O-CA 3.25Å; E507-G511 PolarHBondContact O-N 3.16Å |
| 508 | R | 67.1 | Low | 64 | Low | 181 Ų | 181 | 113.7 Ų | 113.7 | 68% | 0.683 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -71.2 | -41.2 | 172.7 | -177.6 | 105.1 | -76.4 | 163.9 | -1.5 | 111.8 | R504 F505 Y506 S512 | R504-R508 WeakPolarHBondContact O-CB 3.49Å; R504-R508 PolarHBondContact O-N 2.89Å; F505-R508 PolarHBondContact O-N 3Å; Y506-R508 VanDerWaalsContact C-N 3.31Å; Y506-R508 PolarHBondContact O-N 3.35Å; R508-S512 PolarHBondContact O-N 2.84Å; R508-S512 PolarHBondContact O-OG 2.91Å |
| 509 | M | 56.8 | Low | 63.4 | Low | 102 Ų | 102 | 111.3 Ų | 111.3 | 50% | 0.502 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -61.2 | -53.2 | 173 | -85.1 | -158.1 | 174.8 | 0 | 0 | 111.2 | F505 Y506 G511 S512 | F505-M509 HydrophobicContact CE1-CE 3.83Å; F505-M509 HydrophobicContact CE1-SD 4.32Å; F505-M509 HydrophobicContact CE2-CE 4.46Å; F505-M509 HydrophobicContact CZ-CE 3.58Å; F505-M509 PolarHBondContact O-N 2.75Å; Y506-M509 PolarHBondContact O-N 3.07Å; M509-G511 VanDerWaalsContact C-N 3.29Å; M509-G511 PolarHBondContact O-N 3.32Å; M509-S512 PolarHBondContact O-N 3.33Å |
| 510 | N | 61.9 | Low | 62.5 | Low | 149 Ų | 149 | 110.2 Ų | 110.2 | 80% | 0.797 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -70.1 | -26.7 | -178.1 | -70.2 | 19.3 | 0 | 0 | 0 | 112.5 | Y506 | Y506-N510 WeakPolarHBondContact O-CB 3.44Å; Y506-N510 PolarHBondContact O-N 3.19Å; Y506-N510 PolarHBondContact O-OD1 3Å |
| 511 | G | 55.4 | Low | 62.1 | Low | 65 Ų | 65 | 109.5 Ų | 109.5 | 67% | 0.67 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -91.7 | -7.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | E507 M509 | E507-G511 VanDerWaalsContact O-CA 3.31Å; E507-G511 WeakPolarHBondContact O-CA 3.25Å; E507-G511 PolarHBondContact O-N 3.16Å; M509-G511 VanDerWaalsContact C-N 3.29Å; M509-G511 PolarHBondContact O-N 3.32Å |
| 512 | S | 50.9 | Low | 62 | Low | 56 Ų | 56 | 110.3 Ų | 110.3 | 39% | 0.392 | 57% | 0.565 | S | S | . | * | S | Bend | trans | -152.9 | 85.1 | 178.6 | 43.7 | 0 | 0 | 0 | 0 | 114.3 | R508 M509 | R508-S512 PolarHBondContact O-N 2.84Å; R508-S512 PolarHBondContact O-OG 2.91Å; M509-S512 PolarHBondContact O-N 3.33Å |
| 513 | S | 47.3 | Very low | 62.2 | Low | 107 Ų | 107 | 107.7 Ų | 107.7 | 75% | 0.748 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -147.8 | 21.7 | 160.5 | -77.2 | 0 | 0 | 0 | 0 | 113.8 | ||
| 514 | Q | 48.7 | Very low | 62.4 | Low | 153 Ų | 153 | 106.4 Ų | 106.4 | 72% | 0.715 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -134.7 | 27.8 | -173.3 | -88.9 | -85.6 | -67.1 | 0 | 0 | 113.2 | ||
| 515 | N | 52.4 | Low | 63.2 | Low | 114 Ų | 114 | 104 Ų | 104 | 61% | 0.61 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -144.7 | -33.4 | -175.4 | -136.9 | -105.5 | 0 | 0 | 0 | 118.1 | V519 | N515-V519 WeakPolarHBondContact O-CB 3.4Å; N515-V519 WeakPolarHBondContact O-CG2 3.24Å; N515-V519 PolarHBondContact O-N 3.25Å; N515-V519 VanDerWaalsContact O-N 3.14Å; N515-V519 WeakPolarHBondContact OD1-CG2 3.43Å |
| 516 | I | 53.7 | Low | 63.8 | Low | 165 Ų | 165 | 104.2 Ų | 104.2 | 85% | 0.846 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -77.4 | -42.2 | -169.2 | -61.4 | 177.4 | 0 | 0 | 0 | 112.9 | ||
| 517 | Q | 50.3 | Low | 64.8 | Low | 176 Ų | 176 | 102.6 Ų | 102.6 | 82% | 0.822 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -84 | -33.7 | 172.1 | -70 | -178.6 | -2.3 | 0 | 0 | 112.3 | G520 A521 | Q517-G520 PolarHBondContact O-N 3.27Å; Q517-A521 WeakPolarHBondContact O-CB 3.4Å; Q517-A521 PolarHBondContact O-N 2.85Å |
| 518 | D | 49.6 | Very low | 65.6 | Low | 69 Ų | 69 | 100.6 Ų | 100.6 | 37% | 0.369 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -70.8 | -33.8 | -174 | -133 | -27.2 | 0 | 0 | 0 | 112.6 | A521 N522 | D518-A521 PolarHBondContact O-N 2.78Å; D518-N522 VanDerWaalsContact O-CB 3.27Å; D518-N522 WeakPolarHBondContact O-CB 3.32Å; D518-N522 PolarHBondContact O-N 2.87Å; D518-N522 PolarHBondContact O-ND2 2.9Å; D518-N522 PolarHBondContact OD1-ND2 2.76Å |
| 519 | V | 57.2 | Low | 66.7 | Low | 83 Ų | 83 | 94.7 Ų | 94.7 | 50% | 0.503 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.5 | -40.6 | 175 | 169.3 | 0 | 0 | 0 | 0 | 111.5 | N515 A523 | N515-V519 WeakPolarHBondContact O-CB 3.4Å; N515-V519 WeakPolarHBondContact O-CG2 3.24Å; N515-V519 PolarHBondContact O-N 3.25Å; N515-V519 VanDerWaalsContact O-N 3.14Å; N515-V519 WeakPolarHBondContact OD1-CG2 3.43Å; V519-A523 WeakPolarHBondContact O-CB 3.14Å; V519-A523 PolarHBondContact O-N 3.43Å |
| 520 | G | 59.5 | Low | 68.4 | Low | 35 Ų | 35 | 96.6 Ų | 96.6 | 36% | 0.361 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.7 | -45.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q517 N522 A523 I524 | Q517-G520 PolarHBondContact O-N 3.27Å; G520-N522 PolarHBondContact O-N 2.64Å; G520-A523 PolarHBondContact O-N 3.04Å; G520-I524 VanDerWaalsContact O-CG1 3.29Å; G520-I524 WeakPolarHBondContact O-CG1 3.43Å; G520-I524 PolarHBondContact O-N 2.79Å |
| 521 | A | 65.2 | Low | 69.8 | Low | 44 Ų | 44 | 91.9 Ų | 91.9 | 36% | 0.364 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.8 | -42.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q517 D518 I524 L525 | Q517-A521 WeakPolarHBondContact O-CB 3.4Å; Q517-A521 PolarHBondContact O-N 2.85Å; D518-A521 PolarHBondContact O-N 2.78Å; A521-I524 PolarHBondContact O-N 2.88Å; A521-L525 WeakPolarHBondContact O-CB 3.36Å; A521-L525 WeakPolarHBondContact O-CD1 3.31Å; A521-L525 VanDerWaalsContact O-CG 3.27Å; A521-L525 WeakPolarHBondContact O-CG 3.38Å; A521-L525 PolarHBondContact O-N 2.74Å |
| 522 | N | 74.2 | Confident | 71.6 | Confident | 72 Ų | 72 | 96.8 Ų | 96.8 | 39% | 0.385 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69 | -35.3 | 176.4 | -79.3 | -75.1 | 0 | 0 | 0 | 112.6 | D518 G520 L525 Q526 | D518-N522 VanDerWaalsContact O-CB 3.27Å; D518-N522 WeakPolarHBondContact O-CB 3.32Å; D518-N522 PolarHBondContact O-N 2.87Å; D518-N522 PolarHBondContact O-ND2 2.9Å; D518-N522 PolarHBondContact OD1-ND2 2.76Å; G520-N522 PolarHBondContact O-N 2.64Å; N522-L525 PolarHBondContact O-N 3.14Å; N522-Q526 WeakPolarHBondContact O-CB 3.19Å; N522-Q526 VanDerWaalsContact O-CG 3.24Å; N522-Q526 WeakPolarHBondContact O-CG 3.34Å; N522-Q526 PolarHBondContact O-N 3.06Å |
| 523 | A | 82.6 | Confident | 73.5 | Confident | 46 Ų | 46 | 98.5 Ų | 98.5 | 38% | 0.38 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.7 | -47.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | V519 G520 L525 Q526 D527 | V519-A523 WeakPolarHBondContact O-CB 3.14Å; V519-A523 PolarHBondContact O-N 3.43Å; G520-A523 PolarHBondContact O-N 3.04Å; A523-L525 PolarHBondContact O-N 3.42Å; A523-Q526 PolarHBondContact O-N 3.08Å; A523-D527 PolarHBondContact O-N 2.83Å |
| 524 | I | 85.3 | Confident | 75.5 | Confident | 108 Ų | 108 | 98.5 Ų | 98.5 | 55% | 0.554 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.4 | -42.6 | 176.5 | -67.9 | 164.1 | 0 | 0 | 0 | 111.1 | G520 A521 Q526 D527 I528 | G520-I524 VanDerWaalsContact O-CG1 3.29Å; G520-I524 WeakPolarHBondContact O-CG1 3.43Å; G520-I524 PolarHBondContact O-N 2.79Å; A521-I524 PolarHBondContact O-N 2.88Å; I524-Q526 PolarHBondContact O-N 2.81Å; I524-D527 PolarHBondContact O-N 2.75Å; I524-I528 HydrophobicContact CG2-CD1 3.69Å; I524-I528 HydrophobicContact CG2-CG1 4.36Å; I524-I528 WeakPolarHBondContact O-CB 3.39Å; I524-I528 WeakPolarHBondContact O-CG1 3.44Å; I524-I528 PolarHBondContact O-N 3.39Å |
| 525 | L | 88.6 | Confident | 77.5 | Confident | 106 Ų | 106 | 96 Ų | 96 | 56% | 0.555 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.8 | -39.3 | 175.8 | -76.4 | 164.3 | 0 | 0 | 0 | 112.4 | A521 N522 A523 A529 | A521-L525 WeakPolarHBondContact O-CB 3.36Å; A521-L525 WeakPolarHBondContact O-CD1 3.31Å; A521-L525 VanDerWaalsContact O-CG 3.27Å; A521-L525 WeakPolarHBondContact O-CG 3.38Å; A521-L525 PolarHBondContact O-N 2.74Å; N522-L525 PolarHBondContact O-N 3.14Å; A523-L525 PolarHBondContact O-N 3.42Å; L525-A529 WeakPolarHBondContact O-CB 3.32Å; L525-A529 PolarHBondContact O-N 2.77Å |
| 526 | Q | 88.6 | Confident | 79.3 | Confident | 119 Ų | 119 | 97 Ų | 97 | 56% | 0.556 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.3 | -40.1 | 174.8 | -75.5 | 176.9 | 31.3 | 0 | 0 | 112.1 | N522 A523 I524 A529 R530 | N522-Q526 WeakPolarHBondContact O-CB 3.19Å; N522-Q526 VanDerWaalsContact O-CG 3.24Å; N522-Q526 WeakPolarHBondContact O-CG 3.34Å; N522-Q526 PolarHBondContact O-N 3.06Å; A523-Q526 PolarHBondContact O-N 3.08Å; I524-Q526 PolarHBondContact O-N 2.81Å; Q526-A529 WeakPolarHBondContact O-CB 3.38Å; Q526-A529 PolarHBondContact O-N 2.68Å; Q526-R530 WeakPolarHBondContact O-CB 3.22Å; Q526-R530 PolarHBondContact O-N 3.24Å |
| 527 | D | 91.3 | Very high | 80.8 | Confident | 89 Ų | 89 | 95.3 Ų | 95.3 | 48% | 0.476 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -75.6 | -32.6 | 178.5 | -75.6 | -18.3 | 0 | 0 | 0 | 112.7 | A523 I524 A529 R530 A531 | A523-D527 PolarHBondContact O-N 2.83Å; I524-D527 PolarHBondContact O-N 2.75Å; D527-A529 VanDerWaalsContact C-N 3.32Å; D527-A529 PolarHBondContact O-N 2.94Å; D527-R530 PolarHBondContact O-N 3.36Å; D527-R530 IonicContact OD1-CZ 2.7Å; D527-R530 IonicContact OD1-NE 2.6Å; D527-R530 PolarHBondContact OD1-NE 2.86Å; D527-R530 VanDerWaalsContact OD1-NE 3.09Å; D527-R530 IonicContact OD1-NH2 2.9Å; D527-R530 PolarHBondContact OD1-NH2 2.8Å; D527-A531 VanDerWaalsContact O-CB 3.22Å; D527-A531 WeakPolarHBondContact O-CB 3.44Å; D527-A531 PolarHBondContact O-N 3.19Å |
| 528 | I | 90.8 | Very high | 82.6 | Confident | 74 Ų | 74 | 89.1 Ų | 89.1 | 38% | 0.379 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.3 | -41.9 | 166.5 | -70.6 | 166.5 | 0 | 0 | 0 | 110.5 | I524 R532 | I524-I528 HydrophobicContact CG2-CD1 3.69Å; I524-I528 HydrophobicContact CG2-CG1 4.36Å; I524-I528 WeakPolarHBondContact O-CB 3.39Å; I524-I528 WeakPolarHBondContact O-CG1 3.44Å; I524-I528 PolarHBondContact O-N 3.39Å; I528-R532 WeakPolarHBondContact O-CB 3.32Å; I528-R532 WeakPolarHBondContact O-CG 3.28Å; I528-R532 PolarHBondContact O-N 3.07Å |
| 529 | A | 89.4 | Confident | 84 | Confident | 56 Ų | 56 | 90.7 Ų | 90.7 | 46% | 0.463 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.7 | -44.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L525 Q526 D527 R532 E533 | L525-A529 WeakPolarHBondContact O-CB 3.32Å; L525-A529 PolarHBondContact O-N 2.77Å; Q526-A529 WeakPolarHBondContact O-CB 3.38Å; Q526-A529 PolarHBondContact O-N 2.68Å; D527-A529 VanDerWaalsContact C-N 3.32Å; D527-A529 PolarHBondContact O-N 2.94Å; A529-R532 PolarHBondContact O-N 3.11Å; A529-E533 PolarHBondContact O-N 3.28Å |
| 530 | R | 92.9 | Very high | 84.8 | Confident | 143 Ų | 143 | 89.3 Ų | 89.3 | 54% | 0.54 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.6 | -41.1 | 177.8 | -159.8 | -170.8 | -47.4 | -77.1 | -0.7 | 112.1 | Q526 D527 E533 N534 | Q526-R530 WeakPolarHBondContact O-CB 3.22Å; Q526-R530 PolarHBondContact O-N 3.24Å; D527-R530 PolarHBondContact O-N 3.36Å; D527-R530 IonicContact OD1-CZ 2.7Å; D527-R530 IonicContact OD1-NE 2.6Å; D527-R530 PolarHBondContact OD1-NE 2.86Å; D527-R530 VanDerWaalsContact OD1-NE 3.09Å; D527-R530 IonicContact OD1-NH2 2.9Å; D527-R530 PolarHBondContact OD1-NH2 2.8Å; R530-E533 PolarHBondContact O-N 2.96Å; R530-N534 WeakPolarHBondContact O-CB 3.27Å; R530-N534 PolarHBondContact O-N 3.08Å |
| 531 | A | 91.7 | Very high | 85.4 | Confident | 49 Ų | 49 | 88.7 Ų | 88.7 | 41% | 0.405 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65.1 | -44.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | D527 E533 N534 I535 | D527-A531 VanDerWaalsContact O-CB 3.22Å; D527-A531 WeakPolarHBondContact O-CB 3.44Å; D527-A531 PolarHBondContact O-N 3.19Å; A531-E533 VanDerWaalsContact C-N 3.33Å; A531-E533 PolarHBondContact O-N 3.47Å; A531-N534 PolarHBondContact O-N 3.1Å; A531-I535 VanDerWaalsContact O-CG1 3.29Å; A531-I535 WeakPolarHBondContact O-CG1 3.32Å; A531-I535 PolarHBondContact O-N 3.05Å |
| 532 | R | 92.8 | Very high | 85.4 | Confident | 168 Ų | 168 | 89.9 Ų | 89.9 | 63% | 0.634 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -59.7 | -42.7 | 174.1 | -74.8 | 170.2 | 179.2 | -167.9 | 1.3 | 111.7 | I528 A529 I535 Q536 | I528-R532 WeakPolarHBondContact O-CB 3.32Å; I528-R532 WeakPolarHBondContact O-CG 3.28Å; I528-R532 PolarHBondContact O-N 3.07Å; A529-R532 PolarHBondContact O-N 3.11Å; R532-I535 PolarHBondContact O-N 2.87Å; R532-Q536 WeakPolarHBondContact O-CB 3.36Å; R532-Q536 VanDerWaalsContact O-CG 3.31Å; R532-Q536 WeakPolarHBondContact O-CG 3.07Å; R532-Q536 PolarHBondContact O-N 2.95Å |
| 533 | E | 90.8 | Very high | 85 | Confident | 93 Ų | 93 | 94.3 Ų | 94.3 | 44% | 0.435 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.1 | -41.1 | 176.4 | -162.4 | -164.8 | 158.4 | 0 | 0 | 112 | A529 R530 A531 Q536 K537 | A529-E533 PolarHBondContact O-N 3.28Å; R530-E533 PolarHBondContact O-N 2.96Å; A531-E533 VanDerWaalsContact C-N 3.33Å; A531-E533 PolarHBondContact O-N 3.47Å; E533-Q536 PolarHBondContact O-N 2.67Å; E533-K537 HydrophobicContact CG-CD 4.28Å; E533-K537 WeakPolarHBondContact O-CB 3.28Å; E533-K537 WeakPolarHBondContact O-CG 3.35Å; E533-K537 PolarHBondContact O-N 3.24Å; E533-K537 WeakPolarHBondContact OE1-CE 3.36Å; E533-K537 IonicContact OE1-NZ 2.68Å; E533-K537 PolarHBondContact OE1-NZ 2.8Å |
| 534 | N | 90.4 | Very high | 83.9 | Confident | 106 Ų | 106 | 95.6 Ų | 95.6 | 57% | 0.567 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65.6 | -41.6 | 176.9 | -168.7 | 12.1 | 0 | 0 | 0 | 112.1 | R530 A531 K537 S538 | R530-N534 WeakPolarHBondContact O-CB 3.27Å; R530-N534 PolarHBondContact O-N 3.08Å; A531-N534 PolarHBondContact O-N 3.1Å; N534-K537 PolarHBondContact O-N 2.75Å; N534-S538 VanDerWaalsContact O-CB 3.32Å; N534-S538 WeakPolarHBondContact O-CB 3.4Å; N534-S538 PolarHBondContact O-N 3.29Å; N534-S538 PolarHBondContact O-OG 3.07Å |
| 535 | I | 91.3 | Very high | 82.6 | Confident | 102 Ų | 102 | 91.1 Ų | 91.1 | 52% | 0.523 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.5 | -44.9 | 172.9 | -67.7 | 164 | 0 | 0 | 0 | 110.2 | A531 R532 S538 L539 | A531-I535 VanDerWaalsContact O-CG1 3.29Å; A531-I535 WeakPolarHBondContact O-CG1 3.32Å; A531-I535 PolarHBondContact O-N 3.05Å; R532-I535 PolarHBondContact O-N 2.87Å; I535-S538 PolarHBondContact O-N 2.95Å; I535-L539 HydrophobicContact CG2-CD1 3.84Å; I535-L539 HydrophobicContact CG2-CG 4.36Å; I535-L539 WeakPolarHBondContact O-CB 3.37Å; I535-L539 VanDerWaalsContact O-CG 3.3Å; I535-L539 WeakPolarHBondContact O-CG 3.37Å; I535-L539 PolarHBondContact O-N 3.36Å |
| 536 | Q | 89.1 | Confident | 81 | Confident | 134 Ų | 134 | 93.4 Ų | 93.4 | 63% | 0.626 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -64.3 | -41.2 | 176.6 | -75.1 | 178.2 | 0.2 | 0 | 0 | 112.8 | R532 E533 L539 A540 | R532-Q536 WeakPolarHBondContact O-CB 3.36Å; R532-Q536 VanDerWaalsContact O-CG 3.31Å; R532-Q536 WeakPolarHBondContact O-CG 3.07Å; R532-Q536 PolarHBondContact O-N 2.95Å; E533-Q536 PolarHBondContact O-N 2.67Å; Q536-L539 PolarHBondContact O-N 2.86Å; Q536-A540 VanDerWaalsContact O-CB 3.25Å; Q536-A540 WeakPolarHBondContact O-CB 3.3Å; Q536-A540 PolarHBondContact O-N 3.42Å |
| 537 | K | 86.1 | Confident | 79 | Confident | 130 Ų | 130 | 90.5 Ų | 90.5 | 57% | 0.565 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -62.8 | -42.1 | 173.3 | -79.9 | 169.1 | 165.3 | 168.8 | 0 | 111.5 | E533 N534 A540 G541 | E533-K537 HydrophobicContact CG-CD 4.28Å; E533-K537 WeakPolarHBondContact O-CB 3.28Å; E533-K537 WeakPolarHBondContact O-CG 3.35Å; E533-K537 PolarHBondContact O-N 3.24Å; E533-K537 WeakPolarHBondContact OE1-CE 3.36Å; E533-K537 IonicContact OE1-NZ 2.68Å; E533-K537 PolarHBondContact OE1-NZ 2.8Å; N534-K537 PolarHBondContact O-N 2.75Å; K537-A540 PolarHBondContact O-N 2.84Å; K537-G541 PolarHBondContact O-N 3.37Å |
| 538 | S | 86.7 | Confident | 76.9 | Confident | 46 Ų | 46 | 91.2 Ų | 91.2 | 32% | 0.322 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.8 | -40.8 | 175 | -81 | 0 | 0 | 0 | 0 | 112.8 | K147 N534 I535 G541 L542 | K147-S538 PolarHBondContact NZ-O 2.95Å; N534-S538 VanDerWaalsContact O-CB 3.32Å; N534-S538 WeakPolarHBondContact O-CB 3.4Å; N534-S538 PolarHBondContact O-N 3.29Å; N534-S538 PolarHBondContact O-OG 3.07Å; I535-S538 PolarHBondContact O-N 2.95Å; S538-G541 PolarHBondContact O-N 2.9Å; S538-L542 WeakPolarHBondContact O-CB 3.42Å; S538-L542 PolarHBondContact O-N 2.87Å |
| 539 | L | 79.6 | Confident | 74.8 | Confident | 101 Ų | 101 | 97.3 Ų | 97.3 | 53% | 0.529 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -73.3 | -34.3 | 176.1 | -72.5 | 172.6 | 0 | 0 | 0 | 112.8 | I535 Q536 L542 K543 | I535-L539 HydrophobicContact CG2-CD1 3.84Å; I535-L539 HydrophobicContact CG2-CG 4.36Å; I535-L539 WeakPolarHBondContact O-CB 3.37Å; I535-L539 VanDerWaalsContact O-CG 3.3Å; I535-L539 WeakPolarHBondContact O-CG 3.37Å; I535-L539 PolarHBondContact O-N 3.36Å; Q536-L539 PolarHBondContact O-N 2.86Å; L539-L542 CarbonylContact O-C 3.58Å; L539-L542 PolarHBondContact O-N 2.89Å; L539-K543 VanDerWaalsContact O-CB 3.26Å; L539-K543 WeakPolarHBondContact O-CB 3.3Å; L539-K543 PolarHBondContact O-N 2.77Å |
| 540 | A | 73.3 | Confident | 72.1 | Confident | 54 Ų | 54 | 98.1 Ų | 98.1 | 45% | 0.446 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.3 | -40.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q536 K537 L542 K543 N544 | Q536-A540 VanDerWaalsContact O-CB 3.25Å; Q536-A540 WeakPolarHBondContact O-CB 3.3Å; Q536-A540 PolarHBondContact O-N 3.42Å; K537-A540 PolarHBondContact O-N 2.84Å; A540-L542 VanDerWaalsContact C-N 3.34Å; A540-K543 PolarHBondContact O-N 2.88Å; A540-N544 VanDerWaalsContact O-CB 3.31Å; A540-N544 WeakPolarHBondContact O-CB 3.4Å; A540-N544 PolarHBondContact O-N 2.7Å |
| 541 | G | 72.6 | Confident | 69.5 | Low | 23 Ų | 23 | 96.8 Ų | 96.8 | 24% | 0.237 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -53.8 | -50.3 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | K537 S538 N544 T545 | K537-G541 PolarHBondContact O-N 3.37Å; S538-G541 PolarHBondContact O-N 2.9Å; G541-N544 CarbonylContact O-C 3.54Å; G541-N544 PolarHBondContact O-N 3.15Å; G541-T545 WeakPolarHBondContact O-CG2 3.29Å |
| 542 | L | 66.4 | Low | 66.8 | Low | 68 Ų | 68 | 100.5 Ų | 100.5 | 36% | 0.356 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -68.4 | -33 | -178.7 | -154 | 80.8 | 0 | 0 | 0 | 114.1 | K147 P148 S538 L539 A540 T545 | K147-L542 HydrophobicContact CD-CD1 4.24Å; P148-L542 HydrophobicContact CB-CD1 3.55Å; P148-L542 HydrophobicContact CG-CD1 3.6Å; S538-L542 WeakPolarHBondContact O-CB 3.42Å; S538-L542 PolarHBondContact O-N 2.87Å; L539-L542 CarbonylContact O-C 3.58Å; L539-L542 PolarHBondContact O-N 2.89Å; A540-L542 VanDerWaalsContact C-N 3.34Å; L542-T545 VanDerWaalsContact CA-CG2 3.41Å; L542-T545 WeakPolarHBondContact O-CB 3.23Å; L542-T545 VanDerWaalsContact O-CG2 3.26Å; L542-T545 WeakPolarHBondContact O-CG2 3.47Å; L542-T545 PolarHBondContact O-N 3.4Å; L542-T545 PolarHBondContact O-OG1 2.94Å |
| 543 | K | 65.8 | Low | 64 | Low | 166 Ų | 166 | 101.7 Ų | 101.7 | 72% | 0.722 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -73.4 | -35.2 | 175.5 | -174.3 | 174.3 | -177.9 | 177.9 | 0 | 111.2 | L539 A540 T545 | L539-K543 VanDerWaalsContact O-CB 3.26Å; L539-K543 WeakPolarHBondContact O-CB 3.3Å; L539-K543 PolarHBondContact O-N 2.77Å; A540-K543 PolarHBondContact O-N 2.88Å; K543-T545 PolarHBondContact O-N 3.2Å; K543-T545 VanDerWaalsContact O-N 3.12Å |
| 544 | N | 58.3 | Low | 61.2 | Low | 73 Ų | 73 | 101.4 Ų | 101.4 | 39% | 0.39 | 58% | 0.575 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.8 | 15.2 | 169.3 | -80.7 | 0.5 | 0 | 0 | 0 | 112.8 | K145 E146 A540 G541 | K145-N544 HydrophobicContact CG-CB 4.07Å; E146-N544 WeakPolarHBondContact CA-O 3.43Å; E146-N544 VanDerWaalsContact CB-O 3.32Å; E146-N544 WeakPolarHBondContact CB-O 3.45Å; E146-N544 WeakPolarHBondContact CG-O 3.22Å; E146-N544 PolarHBondContact N-O 2.78Å; A540-N544 VanDerWaalsContact O-CB 3.31Å; A540-N544 WeakPolarHBondContact O-CB 3.4Å; A540-N544 PolarHBondContact O-N 2.7Å; G541-N544 CarbonylContact O-C 3.54Å; G541-N544 PolarHBondContact O-N 3.15Å |
| 545 | T | 58.2 | Low | 58.4 | Low | 14 Ų | 14 | 101.7 Ų | 101.7 | 9% | 0.086 | 59% | 0.586 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -118.2 | -14.4 | -179.9 | 85.7 | 0 | 0 | 0 | 0 | 116.7 | E146 K147 P148 G541 L542 K543 S547 | E146-T545 VanDerWaalsContact OE2-C 3.25Å; E146-T545 VanDerWaalsContact OE2-CA 3.27Å; E146-T545 WeakPolarHBondContact OE2-CA 3.46Å; E146-T545 PolarHBondContact OE2-N 3.21Å; K147-T545 HydrophobicContact CB-CG2 3.17Å; K147-T545 VanDerWaalsContact N-CG2 3.26Å; K147-T545 WeakPolarHBondContact O-CB 3.48Å; K147-T545 VanDerWaalsContact O-CG2 3.27Å; K147-T545 WeakPolarHBondContact O-CG2 3.37Å; P148-T545 HydrophobicContact CG-CG2 4.34Å; G541-T545 WeakPolarHBondContact O-CG2 3.29Å; L542-T545 VanDerWaalsContact CA-CG2 3.41Å; L542-T545 WeakPolarHBondContact O-CB 3.23Å; L542-T545 VanDerWaalsContact O-CG2 3.26Å; L542-T545 WeakPolarHBondContact O-CG2 3.47Å; L542-T545 PolarHBondContact O-N 3.4Å; L542-T545 PolarHBondContact O-OG1 2.94Å; K543-T545 PolarHBondContact O-N 3.2Å; K543-T545 VanDerWaalsContact O-N 3.12Å; T545-S547 VanDerWaalsContact C-N 3.34Å |
| 546 | L | 54.4 | Low | 55.7 | Low | 154 Ų | 154 | 104.5 Ų | 104.5 | 81% | 0.806 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -103.2 | 10.6 | -173.7 | -128.5 | 73.4 | 0 | 0 | 0 | 110.4 | E146 | E146-L546 PolarHBondContact OE2-N 3.15Š|
| 547 | S | 47 | Very low | 52.8 | Low | 57 Ų | 57 | 103.3 Ų | 103.3 | 40% | 0.399 | 60% | 0.603 | S | S | . | * | S | Bend | trans | -131.2 | -2.6 | -153.8 | 73.7 | 0 | 0 | 0 | 0 | 114.2 | K145 E146 T545 | K145-S547 WeakPolarHBondContact CE-OG 3.36Å; K145-S547 PolarHBondContact NZ-O 3.07Å; K145-S547 PolarHBondContact NZ-OG 2.68Å; E146-S547 PolarHBondContact OE1-N 2.92Å; E146-S547 WeakPolarHBondContact OE2-CA 3.46Å; E146-S547 PolarHBondContact OE2-N 2.69Å; E146-S547 PolarHBondContact OE2-OG 3.01Å; T545-S547 VanDerWaalsContact C-N 3.34Å |
| 548 | N | 46.6 | Very low | 50.3 | Low | 104 Ų | 104 | 104.9 Ų | 104.9 | 56% | 0.556 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -108.8 | -17.9 | 162.6 | -75.1 | -8.3 | 0 | 0 | 0 | 112.6 | K145 E146 G550 | K145-N548 VanDerWaalsContact CD-CG 3.47Å; K145-N548 WeakPolarHBondContact CD-ND2 3.42Å; K145-N548 WeakPolarHBondContact CD-OD1 3.29Å; K145-N548 PolarHBondContact NZ-OD1 3.36Å; E146-N548 HydrophobicContact CG-CB 4.01Å; E146-N548 WeakPolarHBondContact OE1-CA 3.45Å; E146-N548 WeakPolarHBondContact OE1-CB 3.28Å; E146-N548 PolarHBondContact OE1-N 3.48Å; E146-N548 PolarHBondContact OE2-N 2.98Å; N548-G550 PolarHBondContact O-N 3.17Å |
| 549 | K | 48 | Very low | 47.9 | Very low | 203 Ų | 203 | 109.5 Ų | 109.5 | 88% | 0.883 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -85.6 | 58.1 | -177.2 | -148.4 | 171.4 | -171.1 | 176.1 | 0 | 113 | ||
| 550 | G | 33.2 | Very low | 45.8 | Very low | 73 Ų | 73 | 110.1 Ų | 110.1 | 75% | 0.753 | 65% | 0.645 | S | S | * | * | trans | -151.2 | 39.9 | -168.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | N548 | N548-G550 PolarHBondContact O-N 3.17Š| ||
| 551 | S | 38.2 | Very low | 44.2 | Very low | 115 Ų | 115 | 116.5 Ų | 116.5 | 80% | 0.804 | 67% | 0.665 | S | S | * | * | trans | -167 | 102.6 | 156.8 | -171.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 552 | S | 34.4 | Very low | 43 | Very low | 127 Ų | 127 | 121.5 Ų | 121.5 | 89% | 0.888 | 69% | 0.694 | S | S | * | * | trans | 168.5 | 151.2 | 133.6 | 42 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 553 | Q | 32.9 | Very low | 41.7 | Very low | 192 Ų | 192 | 125.4 Ų | 125.4 | 90% | 0.897 | 72% | 0.715 | S | S | * | * | trans | -124.2 | 153.1 | -154.8 | -162.6 | -174.7 | 4.4 | 0 | 0 | 112.1 | ||||
| 554 | A | 33.3 | Very low | 40.3 | Very low | 88 Ų | 88 | 122.9 Ų | 122.9 | 73% | 0.727 | 72% | 0.718 | S | S | * | * | trans | 93.9 | 148.6 | 150.3 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 555 | S | 31.9 | Very low | 39.5 | Very low | 112 Ų | 112 | 124.2 Ų | 124.2 | 78% | 0.783 | 73% | 0.734 | S | S | * | * | trans | 85.6 | 83.2 | 155.9 | -62.3 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 556 | L | 32.9 | Very low | 38.9 | Very low | 161 Ų | 161 | 129.1 Ų | 129.1 | 84% | 0.843 | 77% | 0.768 | S | S | * | * | 60 | 144.8 | 107.6 | -154.4 | 73.6 | 0 | 0 | 0 | 121.1 | |||||
| 557 | T | 29.8 | Very low | 38.3 | Very low | 108 Ų | 108 | 126.7 Ų | 126.7 | 66% | 0.663 | 76% | 0.764 | S | S | * | * | trans | 94 | 105 | 150.1 | 4 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 558 | Q | 32.6 | Very low | 38.1 | Very low | 163 Ų | 163 | 131.3 Ų | 131.3 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | trans | 69.9 | 124.5 | 134.8 | -83.6 | -172.9 | -7.9 | 0 | 0 | 123.9 | ||||
| 559 | L | 35.8 | Very low | 37.9 | Very low | 143 Ų | 143 | 132.2 Ų | 132.2 | 75% | 0.749 | 80% | 0.799 | S | S | * | * | trans | 80.2 | 136.1 | 131.8 | -69.5 | 166.4 | 0 | 0 | 0 | 122 | ||||
| 560 | S | 35.4 | Very low | 37.4 | Very low | 114 Ų | 114 | 125.1 Ų | 125.1 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | trans | 71 | 126.2 | 155.2 | 30.4 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 561 | H | 39.7 | Very low | 38.4 | Very low | 188 Ų | 188 | 126 Ų | 126 | 87% | 0.87 | 78% | 0.784 | S | S | * | * | trans | -58.9 | 152.6 | 159.3 | -50.3 | 110.4 | 0 | 0 | 0 | 111 | ||||
| 562 | P | 48.5 | Very low | 39.3 | Very low | 129 Ų | 129 | 122.8 Ų | 122.8 | 84% | 0.838 | 77% | 0.768 | S | S | * | * | -149.9 | -170.7 | 78.2 | 39.2 | -18.5 | 0 | 0 | 0 | 116.5 | |||||
| 563 | N | 38.1 | Very low | 40.6 | Very low | 149 Ų | 149 | 119.6 Ų | 119.6 | 80% | 0.797 | 74% | 0.742 | S | S | * | * | trans | -50 | 156.7 | -177.8 | -79 | -6.4 | 0 | 0 | 0 | 118.7 | ||||
| 564 | S | 38.1 | Very low | 42.8 | Very low | 114 Ų | 114 | 116.2 Ų | 116.2 | 80% | 0.797 | 73% | 0.726 | S | S | * | * | trans | 71.1 | 143.7 | 148.9 | -66.6 | 0 | 0 | 0 | 0 | 118 | ||||
| 565 | S | 40.7 | Very low | 45.2 | Very low | 101 Ų | 101 | 113.9 Ų | 113.9 | 71% | 0.706 | 71% | 0.71 | S | S | * | * | cis | -171.1 | 158.3 | 7.1 | 38.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 566 | S | 44.9 | Very low | 47.9 | Very low | 117 Ų | 117 | 115.1 Ų | 115.1 | 82% | 0.818 | 70% | 0.703 | S | S | * | * | trans | 71 | 146.1 | 157.6 | 78.8 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 567 | S | 43.3 | Very low | 50.6 | Low | 103 Ų | 103 | 110.7 Ų | 110.7 | 72% | 0.72 | 68% | 0.68 | S | S | * | * | cis | -150.9 | -177.1 | 15.6 | 62.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 568 | N | 42.3 | Very low | 53.6 | Low | 153 Ų | 153 | 109.4 Ų | 109.4 | 82% | 0.818 | 67% | 0.668 | S | S | * | * | cis | -156.3 | -38.6 | 11.3 | -153.9 | 30.2 | 0 | 0 | 0 | 116.9 | ||||
| 569 | S | 41.8 | Very low | 56.5 | Low | 124 Ų | 124 | 105.2 Ų | 105.2 | 87% | 0.867 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -86.1 | 132.1 | -166.3 | 50.7 | 0 | 0 | 0 | 0 | 113.5 | ||
| 570 | G | 38.8 | Very low | 59.3 | Low | 54 Ų | 54 | 104.8 Ų | 104.8 | 56% | 0.557 | 65% | 0.645 | S | S | * | * | cis | -148.3 | 151.2 | -3.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | G572 | G570-G572 PolarHBondContact O-N 3.5Š| ||
| 571 | A | 53.2 | Low | 62.1 | Low | 91 Ų | 91 | 103.2 Ų | 103.2 | 75% | 0.752 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -81 | -3.2 | -166 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 572 | G | 56 | Low | 64.8 | Low | 47 Ų | 47 | 100.4 Ų | 100.4 | 49% | 0.485 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -69.9 | -48.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113 | G570 Q574 G575 E576 | G570-G572 PolarHBondContact O-N 3.5Å; G572-Q574 VanDerWaalsContact C-N 3.28Å; G572-Q574 PolarHBondContact O-N 3.35Å; G572-G575 WeakPolarHBondContact O-CA 3.3Å; G572-G575 PolarHBondContact O-N 3.34Å; G572-E576 PolarHBondContact O-N 3.28Å |
| 573 | D | 63.6 | Low | 67 | Low | 61 Ų | 61 | 97.9 Ų | 97.9 | 33% | 0.326 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -56.1 | -40.3 | -177.3 | -167.9 | 21.9 | 0 | 0 | 0 | 112.1 | G575 E576 I577 | D573-G575 VanDerWaalsContact C-N 3.31Å; D573-G575 PolarHBondContact O-N 2.86Å; D573-E576 PolarHBondContact O-N 3.45Å; D573-I577 WeakPolarHBondContact O-CB 3.4Å; D573-I577 WeakPolarHBondContact O-CD1 3.41Å; D573-I577 VanDerWaalsContact O-CG1 3.22Å; D573-I577 WeakPolarHBondContact O-CG1 3.29Å; D573-I577 PolarHBondContact O-N 2.74Å |
| 574 | Q | 77.8 | Confident | 69.7 | Low | 121 Ų | 121 | 94.5 Ų | 94.5 | 57% | 0.565 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -60.8 | -36.5 | 174.6 | -70.7 | -69.4 | -26.3 | 0 | 0 | 113.2 | G572 I578 | G572-Q574 VanDerWaalsContact C-N 3.28Å; G572-Q574 PolarHBondContact O-N 3.35Å; Q574-I578 WeakPolarHBondContact O-CB 3.23Å; Q574-I578 WeakPolarHBondContact O-CD1 3.46Å; Q574-I578 WeakPolarHBondContact O-CG1 3.16Å; Q574-I578 PolarHBondContact O-N 3.23Å |
| 575 | G | 84.8 | Confident | 72.5 | Confident | 38 Ų | 38 | 94.2 Ų | 94.2 | 39% | 0.392 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -70.5 | -37.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | G572 D573 S579 | G572-G575 WeakPolarHBondContact O-CA 3.3Å; G572-G575 PolarHBondContact O-N 3.34Å; D573-G575 VanDerWaalsContact C-N 3.31Å; D573-G575 PolarHBondContact O-N 2.86Å; G575-S579 WeakPolarHBondContact O-CB 3.36Å; G575-S579 PolarHBondContact O-N 2.81Å; G575-S579 PolarHBondContact O-OG 3.01Å |
| 576 | E | 87.6 | Confident | 75.1 | Confident | 139 Ų | 139 | 95.3 Ų | 95.3 | 65% | 0.65 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -69.3 | -44.8 | 176.2 | -68.5 | 175 | -151.5 | 0 | 0 | 111.1 | G572 D573 I578 S579 R580 | G572-E576 PolarHBondContact O-N 3.28Å; D573-E576 PolarHBondContact O-N 3.45Å; E576-I578 PolarHBondContact O-N 2.74Å; E576-S579 PolarHBondContact O-N 3.15Å; E576-R580 WeakPolarHBondContact O-CB 3.31Å; E576-R580 PolarHBondContact O-N 2.75Å |
| 577 | I | 90.1 | Very high | 77.5 | Confident | 68 Ų | 68 | 94.7 Ų | 94.7 | 35% | 0.349 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -57.6 | -48.9 | 173.5 | -68.6 | 163.4 | 0 | 0 | 0 | 111.1 | D573 S579 R580 I581 | D573-I577 WeakPolarHBondContact O-CB 3.4Å; D573-I577 WeakPolarHBondContact O-CD1 3.41Å; D573-I577 VanDerWaalsContact O-CG1 3.22Å; D573-I577 WeakPolarHBondContact O-CG1 3.29Å; D573-I577 PolarHBondContact O-N 2.74Å; I577-S579 VanDerWaalsContact C-N 3.28Å; I577-S579 PolarHBondContact O-N 3.24Å; I577-R580 PolarHBondContact O-N 3.34Å; I577-I581 HydrophobicContact CG2-CD1 3.82Å; I577-I581 VanDerWaalsContact O-CG1 3.29Å; I577-I581 WeakPolarHBondContact O-CG1 3.44Å; I577-I581 PolarHBondContact O-N 2.86Å |
| 578 | I | 91.6 | Very high | 80 | Confident | 80 Ų | 80 | 93.4 Ų | 93.4 | 41% | 0.41 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63 | -35.4 | 177.9 | -70.3 | 165.3 | 0 | 0 | 0 | 111.6 | Q574 E576 K582 | Q574-I578 WeakPolarHBondContact O-CB 3.23Å; Q574-I578 WeakPolarHBondContact O-CD1 3.46Å; Q574-I578 WeakPolarHBondContact O-CG1 3.16Å; Q574-I578 PolarHBondContact O-N 3.23Å; E576-I578 PolarHBondContact O-N 2.74Å; I578-K582 HydrophobicContact CG2-CD 4.33Å; I578-K582 WeakPolarHBondContact O-CG 3.27Å; I578-K582 PolarHBondContact O-N 2.92Å; I578-K582 VanDerWaalsContact O-N 3.11Å |
| 579 | S | 93.5 | Very high | 82.6 | Confident | 76 Ų | 76 | 91.5 Ų | 91.5 | 53% | 0.531 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -70.4 | -41.3 | 177.4 | -58.3 | 0 | 0 | 0 | 0 | 111.7 | G575 E576 I577 K582 S583 | G575-S579 WeakPolarHBondContact O-CB 3.36Å; G575-S579 PolarHBondContact O-N 2.81Å; G575-S579 PolarHBondContact O-OG 3.01Å; E576-S579 PolarHBondContact O-N 3.15Å; I577-S579 VanDerWaalsContact C-N 3.28Å; I577-S579 PolarHBondContact O-N 3.24Å; S579-K582 PolarHBondContact O-N 3.47Å; S579-S583 PolarHBondContact O-N 2.68Å |
| 580 | R | 94.8 | Very high | 85.2 | Confident | 133 Ų | 133 | 88.5 Ų | 88.5 | 50% | 0.502 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.2 | -42.1 | 174.5 | -170.2 | 171.5 | -174.8 | 135.5 | 11.2 | 111.7 | Q154 E576 I577 S583 L584 | Q154-R580 VanDerWaalsContact OE1-CZ 3.24Å; E576-R580 WeakPolarHBondContact O-CB 3.31Å; E576-R580 PolarHBondContact O-N 2.75Å; I577-R580 PolarHBondContact O-N 3.34Å; R580-S583 PolarHBondContact O-N 3.26Å; R580-L584 HydrophobicContact CG-CD1 4.16Å; R580-L584 WeakPolarHBondContact O-CG 3.3Å; R580-L584 PolarHBondContact O-N 2.91Å |
| 581 | I | 95.3 | Very high | 88 | Confident | 82 Ų | 82 | 90.2 Ų | 90.2 | 42% | 0.421 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.2 | -50.2 | 175 | -70 | 164.9 | 0 | 0 | 0 | 110.7 | I577 S583 L584 E585 | I577-I581 HydrophobicContact CG2-CD1 3.82Å; I577-I581 VanDerWaalsContact O-CG1 3.29Å; I577-I581 WeakPolarHBondContact O-CG1 3.44Å; I577-I581 PolarHBondContact O-N 2.86Å; I581-S583 VanDerWaalsContact C-N 3.3Å; I581-S583 PolarHBondContact O-N 3.5Å; I581-L584 PolarHBondContact O-N 3.32Å; I581-L584 VanDerWaalsContact O-N 3.17Å; I581-E585 HydrophobicContact CG2-CG 4.33Å; I581-E585 WeakPolarHBondContact O-CG 3.47Å; I581-E585 PolarHBondContact O-N 3.47Å |
| 582 | K | 95.4 | Very high | 90.1 | Very high | 129 Ų | 129 | 93.3 Ų | 93.3 | 56% | 0.561 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -61.1 | -36.6 | 178 | -72.8 | 172.1 | -178.8 | 176.2 | 0 | 113.3 | I578 S579 E585 L586 | I578-K582 HydrophobicContact CG2-CD 4.33Å; I578-K582 WeakPolarHBondContact O-CG 3.27Å; I578-K582 PolarHBondContact O-N 2.92Å; I578-K582 VanDerWaalsContact O-N 3.11Å; S579-K582 PolarHBondContact O-N 3.47Å; K582-E585 PolarHBondContact O-N 3.14Å; K582-L586 PolarHBondContact O-N 2.82Å; K582-L586 VanDerWaalsContact O-N 3.09Å |
| 583 | S | 95.8 | Very high | 92 | Very high | 76 Ų | 76 | 97.4 Ų | 97.4 | 53% | 0.531 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.6 | -46.3 | 175 | -164.2 | 0 | 0 | 0 | 0 | 111.2 | S579 R580 I581 E585 L586 E587 | S579-S583 PolarHBondContact O-N 2.68Å; R580-S583 PolarHBondContact O-N 3.26Å; I581-S583 VanDerWaalsContact C-N 3.3Å; I581-S583 PolarHBondContact O-N 3.5Å; S583-E585 PolarHBondContact O-N 3.48Å; S583-L586 PolarHBondContact O-N 2.91Å; S583-E587 WeakPolarHBondContact O-CB 3.37Å; S583-E587 PolarHBondContact O-N 2.9Å |
| 584 | L | 94.8 | Very high | 93.6 | Very high | 78 Ų | 78 | 97.9 Ų | 97.9 | 41% | 0.408 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66 | -35.2 | 177 | -69.5 | 168.7 | 0 | 0 | 0 | 112.3 | R580 I581 L586 E587 N588 | R580-L584 HydrophobicContact CG-CD1 4.16Å; R580-L584 WeakPolarHBondContact O-CG 3.3Å; R580-L584 PolarHBondContact O-N 2.91Å; I581-L584 PolarHBondContact O-N 3.32Å; I581-L584 VanDerWaalsContact O-N 3.17Å; L584-L586 VanDerWaalsContact C-N 3.34Å; L584-E587 PolarHBondContact O-N 3.17Å; L584-N588 WeakPolarHBondContact O-CB 3.19Å; L584-N588 PolarHBondContact O-N 2.91Å; L584-N588 PolarHBondContact O-ND2 2.78Å |
| 585 | E | 95.9 | Very high | 94.6 | Very high | 108 Ų | 108 | 96.2 Ų | 96.2 | 51% | 0.505 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.7 | -37 | 173.5 | -74.9 | 172.6 | 171.1 | 0 | 0 | 112.2 | I581 K582 S583 Q589 | I581-E585 HydrophobicContact CG2-CG 4.33Å; I581-E585 WeakPolarHBondContact O-CG 3.47Å; I581-E585 PolarHBondContact O-N 3.47Å; K582-E585 PolarHBondContact O-N 3.14Å; S583-E585 PolarHBondContact O-N 3.48Å; E585-Q589 VanDerWaalsContact O-CG 3.31Å; E585-Q589 WeakPolarHBondContact O-CG 3.35Å; E585-Q589 PolarHBondContact O-N 2.9Å; E585-Q589 VanDerWaalsContact O-N 3.14Å; E585-Q589 PolarHBondContact O-NE2 2.8Å |
| 586 | L | 96.6 | Very high | 95.1 | Very high | 123 Ų | 123 | 99 Ų | 99 | 64% | 0.644 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -72.6 | -42.4 | 176 | -170.1 | 155.4 | 0 | 0 | 0 | 111.2 | K582 S583 L584 Q589 S590 | K582-L586 PolarHBondContact O-N 2.82Å; K582-L586 VanDerWaalsContact O-N 3.09Å; S583-L586 PolarHBondContact O-N 2.91Å; L584-L586 VanDerWaalsContact C-N 3.34Å; L586-Q589 WeakPolarHBondContact O-CB 3.23Å; L586-Q589 PolarHBondContact O-N 2.85Å; L586-S590 PolarHBondContact O-N 3.2Å |
| 587 | E | 94.6 | Very high | 95.6 | Very high | 104 Ų | 104 | 97.8 Ų | 97.8 | 49% | 0.486 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.9 | -46.2 | 175.1 | -172.6 | 179.1 | 178.5 | 0 | 0 | 111.4 | S583 L584 Q589 S590 L591 | S583-E587 WeakPolarHBondContact O-CB 3.37Å; S583-E587 PolarHBondContact O-N 2.9Å; L584-E587 PolarHBondContact O-N 3.17Å; E587-Q589 VanDerWaalsContact C-N 3.32Å; E587-Q589 PolarHBondContact O-N 2.75Å; E587-S590 CarbonylContact O-C 3.58Å; E587-S590 WeakPolarHBondContact O-CA 3.42Å; E587-S590 VanDerWaalsContact O-CB 3.23Å; E587-S590 WeakPolarHBondContact O-CB 3.32Å; E587-S590 PolarHBondContact O-N 2.8Å; E587-L591 HydrophobicContact CG-CD1 4.42Å; E587-L591 WeakPolarHBondContact O-CG 3.16Å; E587-L591 PolarHBondContact O-N 3.36Å |
| 588 | N | 96 | Very high | 95.8 | Very high | 77 Ų | 77 | 99.4 Ų | 99.4 | 41% | 0.412 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -57.9 | -43.3 | 173.4 | -84.8 | -78.4 | 0 | 0 | 0 | 111.7 | L584 S590 L591 Y592 | L584-N588 WeakPolarHBondContact O-CB 3.19Å; L584-N588 PolarHBondContact O-N 2.91Å; L584-N588 PolarHBondContact O-ND2 2.78Å; N588-S590 VanDerWaalsContact C-N 3.28Å; N588-S590 PolarHBondContact O-N 3.35Å; N588-L591 PolarHBondContact O-N 3.14Å; N588-Y592 HydrophobicContact CB-CE2 4.37Å; N588-Y592 WeakPolarHBondContact O-CD2 3.27Å; N588-Y592 PolarHBondContact O-N 3.35Å |
| 589 | Q | 96.6 | Very high | 96.1 | Very high | 113 Ų | 113 | 104 Ų | 104 | 53% | 0.528 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.3 | -32.4 | 173.6 | -76.2 | 171 | 68.1 | 0 | 0 | 113.3 | E585 L586 E587 K593 | E585-Q589 VanDerWaalsContact O-CG 3.31Å; E585-Q589 WeakPolarHBondContact O-CG 3.35Å; E585-Q589 PolarHBondContact O-N 2.9Å; E585-Q589 VanDerWaalsContact O-N 3.14Å; E585-Q589 PolarHBondContact O-NE2 2.8Å; L586-Q589 WeakPolarHBondContact O-CB 3.23Å; L586-Q589 PolarHBondContact O-N 2.85Å; E587-Q589 VanDerWaalsContact C-N 3.32Å; E587-Q589 PolarHBondContact O-N 2.75Å; Q589-K593 VanDerWaalsContact O-CG 3.32Å; Q589-K593 WeakPolarHBondContact O-CG 3.48Å; Q589-K593 PolarHBondContact O-N 2.93Å |
| 590 | S | 96.6 | Very high | 96.2 | Very high | 60 Ų | 60 | 103.2 Ų | 103.2 | 42% | 0.42 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.7 | -48.3 | 172.3 | -165.4 | 0 | 0 | 0 | 0 | 110.9 | L586 E587 N588 Y592 K593 V594 | L586-S590 PolarHBondContact O-N 3.2Å; E587-S590 CarbonylContact O-C 3.58Å; E587-S590 WeakPolarHBondContact O-CA 3.42Å; E587-S590 VanDerWaalsContact O-CB 3.23Å; E587-S590 WeakPolarHBondContact O-CB 3.32Å; E587-S590 PolarHBondContact O-N 2.8Å; N588-S590 VanDerWaalsContact C-N 3.28Å; N588-S590 PolarHBondContact O-N 3.35Å; S590-Y592 PolarHBondContact O-N 2.86Å; S590-K593 WeakPolarHBondContact O-CB 3.28Å; S590-K593 PolarHBondContact O-N 3.4Å; S590-K593 VanDerWaalsContact O-N 3.1Å; S590-V594 WeakPolarHBondContact O-CG2 3.49Å; S590-V594 PolarHBondContact O-N 2.81Å |
| 591 | L | 96.9 | Very high | 96.2 | Very high | 91 Ų | 91 | 99.1 Ų | 99.1 | 48% | 0.476 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.1 | -42.6 | 177.4 | -67.9 | 172.6 | 0 | 0 | 0 | 112 | E587 N588 K593 V594 V595 | E587-L591 HydrophobicContact CG-CD1 4.42Å; E587-L591 WeakPolarHBondContact O-CG 3.16Å; E587-L591 PolarHBondContact O-N 3.36Å; N588-L591 PolarHBondContact O-N 3.14Å; L591-K593 VanDerWaalsContact C-N 3.34Å; L591-K593 PolarHBondContact O-N 3.45Å; L591-V594 PolarHBondContact O-N 3.46Å; L591-V595 WeakPolarHBondContact O-CG2 3.17Å; L591-V595 PolarHBondContact O-N 2.87Å |
| 592 | Y | 96.8 | Very high | 96.3 | Very high | 155 Ų | 155 | 100.7 Ų | 100.7 | 61% | 0.608 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -59.3 | -42.4 | 173.4 | -74.9 | -60.3 | 0 | 0 | 0 | 112.2 | N588 S590 V595 D596 | N588-Y592 HydrophobicContact CB-CE2 4.37Å; N588-Y592 WeakPolarHBondContact O-CD2 3.27Å; N588-Y592 PolarHBondContact O-N 3.35Å; S590-Y592 PolarHBondContact O-N 2.86Å; Y592-V595 PolarHBondContact O-N 2.66Å; Y592-D596 PolarHBondContact O-N 3.26Å |
| 593 | K | 97.2 | Very high | 96.2 | Very high | 134 Ų | 134 | 97.1 Ų | 97.1 | 58% | 0.583 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.7 | -38.6 | 174.8 | -69.5 | 167.2 | -175.1 | 173.4 | 0 | 112.6 | Q589 S590 L591 D596 N597 | Q589-K593 VanDerWaalsContact O-CG 3.32Å; Q589-K593 WeakPolarHBondContact O-CG 3.48Å; Q589-K593 PolarHBondContact O-N 2.93Å; S590-K593 WeakPolarHBondContact O-CB 3.28Å; S590-K593 PolarHBondContact O-N 3.4Å; S590-K593 VanDerWaalsContact O-N 3.1Å; L591-K593 VanDerWaalsContact C-N 3.34Å; L591-K593 PolarHBondContact O-N 3.45Å; K593-D596 PolarHBondContact O-N 3.29Å; K593-N597 WeakPolarHBondContact O-CB 3.35Å; K593-N597 PolarHBondContact O-N 3.09Å; K593-N597 PolarHBondContact O-ND2 2.92Å |
| 594 | V | 97.6 | Very high | 96.2 | Very high | 70 Ų | 70 | 100.7 Ų | 100.7 | 42% | 0.424 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.4 | -43.5 | 174.8 | 173.2 | 0 | 0 | 0 | 0 | 110.4 | S590 L591 D596 N597 L598 | S590-V594 WeakPolarHBondContact O-CG2 3.49Å; S590-V594 PolarHBondContact O-N 2.81Å; L591-V594 PolarHBondContact O-N 3.46Å; V594-D596 PolarHBondContact O-N 2.81Å; V594-N597 PolarHBondContact O-N 2.87Å; V594-L598 HydrophobicContact CG1-CD1 4.01Å; V594-L598 HydrophobicContact CG1-CG 4.37Å; V594-L598 WeakPolarHBondContact O-CB 3.46Å; V594-L598 VanDerWaalsContact O-CG 3.3Å; V594-L598 WeakPolarHBondContact O-CG 3.01Å; V594-L598 PolarHBondContact O-N 3.23Å |
| 595 | V | 97.4 | Very high | 96.2 | Very high | 86 Ų | 86 | 101.1 Ų | 101.1 | 52% | 0.521 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62 | -42.4 | 175.1 | 170 | 0 | 0 | 0 | 0 | 111.6 | L591 Y592 L598 R599 | L591-V595 WeakPolarHBondContact O-CG2 3.17Å; L591-V595 PolarHBondContact O-N 2.87Å; Y592-V595 PolarHBondContact O-N 2.66Å; V595-L598 PolarHBondContact O-N 3.48Å; V595-R599 VanDerWaalsContact O-CB 3.28Å; V595-R599 WeakPolarHBondContact O-CB 3.33Å; V595-R599 PolarHBondContact O-N 3.28Å |
| 596 | D | 96.9 | Very high | 96.2 | Very high | 96 Ų | 96 | 102.5 Ų | 102.5 | 51% | 0.513 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.1 | -40.4 | 175.3 | -76.5 | -28.5 | 0 | 0 | 0 | 112.2 | Y592 K593 V594 R599 A600 | Y592-D596 PolarHBondContact O-N 3.26Å; K593-D596 PolarHBondContact O-N 3.29Å; V594-D596 PolarHBondContact O-N 2.81Å; D596-R599 PolarHBondContact O-N 2.92Å; D596-A600 WeakPolarHBondContact O-CB 3.19Å; D596-A600 PolarHBondContact O-N 2.73Å |
| 597 | N | 96.4 | Very high | 95.8 | Very high | 115 Ų | 115 | 100.7 Ų | 100.7 | 62% | 0.615 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64 | -43.6 | 174.5 | -73.9 | -24.5 | 0 | 0 | 0 | 111.9 | K593 V594 A600 A601 | K593-N597 WeakPolarHBondContact O-CB 3.35Å; K593-N597 PolarHBondContact O-N 3.09Å; K593-N597 PolarHBondContact O-ND2 2.92Å; V594-N597 PolarHBondContact O-N 2.87Å; N597-A600 PolarHBondContact O-N 3.3Å; N597-A601 WeakPolarHBondContact O-CB 3.39Å; N597-A601 PolarHBondContact O-N 2.83Å |
| 598 | L | 95.7 | Very high | 95.8 | Very high | 102 Ų | 102 | 103.1 Ų | 103.1 | 53% | 0.534 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64 | -41.7 | 174.9 | -72.4 | 172.5 | 0 | 0 | 0 | 111.2 | V594 V595 A600 A601 L602 | V594-L598 HydrophobicContact CG1-CD1 4.01Å; V594-L598 HydrophobicContact CG1-CG 4.37Å; V594-L598 WeakPolarHBondContact O-CB 3.46Å; V594-L598 VanDerWaalsContact O-CG 3.3Å; V594-L598 WeakPolarHBondContact O-CG 3.01Å; V594-L598 PolarHBondContact O-N 3.23Å; V595-L598 PolarHBondContact O-N 3.48Å; L598-A600 VanDerWaalsContact C-N 3.34Å; L598-A600 PolarHBondContact O-N 3.35Å; L598-A601 PolarHBondContact O-N 3.2Å; L598-L602 WeakPolarHBondContact O-CB 3.34Å; L598-L602 WeakPolarHBondContact O-CG 3.21Å; L598-L602 PolarHBondContact O-N 2.78Å |
| 599 | R | 96.9 | Very high | 95.5 | Very high | 176 Ų | 176 | 102.9 Ų | 102.9 | 66% | 0.664 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.4 | -42 | 174.5 | -171.7 | 177.9 | -172.4 | 164.8 | 5.3 | 111.7 | V595 D596 L602 S603 | V595-R599 VanDerWaalsContact O-CB 3.28Å; V595-R599 WeakPolarHBondContact O-CB 3.33Å; V595-R599 PolarHBondContact O-N 3.28Å; D596-R599 PolarHBondContact O-N 2.92Å; R599-L602 PolarHBondContact O-N 3.31Å; R599-S603 PolarHBondContact O-N 3.46Å; R599-S603 PolarHBondContact O-OG 3.46Å; R599-S603 VanDerWaalsContact O-OG 3.09Å |
| 600 | A | 96.1 | Very high | 95.1 | Very high | 60 Ų | 60 | 98.9 Ų | 98.9 | 50% | 0.496 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.9 | -39 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | D596 N597 L598 S603 K604 | D596-A600 WeakPolarHBondContact O-CB 3.19Å; D596-A600 PolarHBondContact O-N 2.73Å; N597-A600 PolarHBondContact O-N 3.3Å; L598-A600 VanDerWaalsContact C-N 3.34Å; L598-A600 PolarHBondContact O-N 3.35Å; A600-S603 PolarHBondContact O-N 3.4Å; A600-K604 WeakPolarHBondContact O-CB 3.37Å; A600-K604 PolarHBondContact O-N 3Å |
| 601 | A | 95.1 | Very high | 94.6 | Very high | 47 Ų | 47 | 100.6 Ų | 100.6 | 39% | 0.388 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.1 | -44.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | N597 L598 K604 L605 | N597-A601 WeakPolarHBondContact O-CB 3.39Å; N597-A601 PolarHBondContact O-N 2.83Å; L598-A601 PolarHBondContact O-N 3.2Å; A601-K604 WeakPolarHBondContact O-CB 3.31Å; A601-K604 PolarHBondContact O-N 3.32Å; A601-L605 WeakPolarHBondContact O-CG 3.31Å; A601-L605 PolarHBondContact O-N 3.43Å |
| 602 | L | 96.1 | Very high | 93.6 | Very high | 115 Ų | 115 | 101.6 Ų | 101.6 | 60% | 0.602 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.1 | -46.7 | 173.8 | -72 | 172.9 | 0 | 0 | 0 | 111.6 | L598 R599 K604 L605 E606 | L598-L602 WeakPolarHBondContact O-CB 3.34Å; L598-L602 WeakPolarHBondContact O-CG 3.21Å; L598-L602 PolarHBondContact O-N 2.78Å; R599-L602 PolarHBondContact O-N 3.31Å; L602-K604 VanDerWaalsContact C-N 3.27Å; L602-K604 PolarHBondContact O-N 2.88Å; L602-L605 PolarHBondContact O-N 2.63Å; L602-L605 VanDerWaalsContact O-N 3.13Å; L602-E606 WeakPolarHBondContact O-CB 3.32Å; L602-E606 PolarHBondContact O-N 3.47Å |
| 603 | S | 95.3 | Very high | 93 | Very high | 54 Ų | 54 | 101.4 Ų | 101.4 | 38% | 0.378 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.3 | -33.8 | 174.9 | -62.3 | 0 | 0 | 0 | 0 | 112.8 | R599 A600 C607 | R599-S603 PolarHBondContact O-N 3.46Å; R599-S603 PolarHBondContact O-OG 3.46Å; R599-S603 VanDerWaalsContact O-OG 3.09Å; A600-S603 PolarHBondContact O-N 3.4Å; S603-C607 WeakPolarHBondContact O-CB 3.39Å; S603-C607 PolarHBondContact O-N 3.41Å; S603-C607 PolarHBondContact O-SG 2.85Å |
| 604 | K | 95.7 | Very high | 92.1 | Very high | 150 Ų | 150 | 102.5 Ų | 102.5 | 65% | 0.652 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -70.4 | -37.5 | 174.5 | -174.6 | -179.7 | 179.1 | -175.8 | 0 | 112 | A600 A601 L602 R608 | A600-K604 WeakPolarHBondContact O-CB 3.37Å; A600-K604 PolarHBondContact O-N 3Å; A601-K604 WeakPolarHBondContact O-CB 3.31Å; A601-K604 PolarHBondContact O-N 3.32Å; L602-K604 VanDerWaalsContact C-N 3.27Å; L602-K604 PolarHBondContact O-N 2.88Å; K604-R608 WeakPolarHBondContact O-CG 3.46Å; K604-R608 PolarHBondContact O-N 3.34Å; K604-R608 VanDerWaalsContact O-N 3.11Å |
| 605 | L | 93.5 | Very high | 90.1 | Very high | 87 Ų | 87 | 108.7 Ų | 108.7 | 46% | 0.455 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -68 | -46.3 | 173.5 | -72.5 | 169 | 0 | 0 | 0 | 111.2 | A601 L602 C607 R608 V609 | A601-L605 WeakPolarHBondContact O-CG 3.31Å; A601-L605 PolarHBondContact O-N 3.43Å; L602-L605 PolarHBondContact O-N 2.63Å; L602-L605 VanDerWaalsContact O-N 3.13Å; L605-C607 VanDerWaalsContact C-N 3.3Å; L605-C607 PolarHBondContact O-N 2.96Å; L605-R608 CarbonylContact O-C 3.57Å; L605-R608 WeakPolarHBondContact O-CA 3.36Å; L605-R608 WeakPolarHBondContact O-CB 3.42Å; L605-R608 PolarHBondContact O-N 2.9Å; L605-V609 WeakPolarHBondContact O-CG2 3.3Å; L605-V609 PolarHBondContact O-N 3.5Å |
| 606 | E | 95.3 | Very high | 88 | Confident | 137 Ų | 137 | 110.6 Ų | 110.6 | 64% | 0.64 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -55.9 | -43.5 | 174 | -172.8 | -178.7 | -173.8 | 0 | 0 | 111.3 | L602 R608 V609 A610 | L602-E606 WeakPolarHBondContact O-CB 3.32Å; L602-E606 PolarHBondContact O-N 3.47Å; E606-R608 PolarHBondContact O-N 2.87Å; E606-V609 PolarHBondContact O-N 3.44Å; E606-A610 VanDerWaalsContact O-CB 3.22Å; E606-A610 WeakPolarHBondContact O-CB 3.33Å; E606-A610 PolarHBondContact O-N 3.09Å |
| 607 | C | 89.6 | Confident | 85.5 | Confident | 85 Ų | 85 | 111 Ų | 111 | 57% | 0.574 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -62.7 | -36.9 | 172.8 | -70.7 | 0 | 0 | 0 | 0 | 113.3 | S603 L605 V611 | S603-C607 WeakPolarHBondContact O-CB 3.39Å; S603-C607 PolarHBondContact O-N 3.41Å; S603-C607 PolarHBondContact O-SG 2.85Å; L605-C607 VanDerWaalsContact C-N 3.3Å; L605-C607 PolarHBondContact O-N 2.96Å; C607-V611 VanDerWaalsContact O-CG2 3.28Å; C607-V611 WeakPolarHBondContact O-CG2 3.38Å; C607-V611 PolarHBondContact O-N 2.81Å |
| 608 | R | 93.4 | Very high | 82.5 | Confident | 156 Ų | 156 | 110.8 Ų | 110.8 | 59% | 0.589 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -68.7 | -47.2 | 176 | -74.7 | 172.5 | 66 | -173.1 | 1.5 | 111.2 | K604 L605 E606 V611 L612 | K604-R608 WeakPolarHBondContact O-CG 3.46Å; K604-R608 PolarHBondContact O-N 3.34Å; K604-R608 VanDerWaalsContact O-N 3.11Å; L605-R608 CarbonylContact O-C 3.57Å; L605-R608 WeakPolarHBondContact O-CA 3.36Å; L605-R608 WeakPolarHBondContact O-CB 3.42Å; L605-R608 PolarHBondContact O-N 2.9Å; E606-R608 PolarHBondContact O-N 2.87Å; R608-V611 WeakPolarHBondContact O-CB 3.42Å; R608-V611 PolarHBondContact O-N 3.35Å; R608-V611 VanDerWaalsContact O-N 3.12Å; R608-L612 WeakPolarHBondContact O-CG 3.48Å; R608-L612 PolarHBondContact O-N 3.5Å |
| 609 | V | 90.8 | Very high | 79.7 | Confident | 72 Ų | 72 | 112.7 Ų | 112.7 | 44% | 0.436 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -59 | -49.2 | 176.9 | 172.7 | 0 | 0 | 0 | 0 | 110 | L605 E606 V611 L612 E613 | L605-V609 WeakPolarHBondContact O-CG2 3.3Å; L605-V609 PolarHBondContact O-N 3.5Å; E606-V609 PolarHBondContact O-N 3.44Å; V609-V611 PolarHBondContact O-N 3.2Å; V609-L612 PolarHBondContact O-N 3.4Å; V609-E613 HydrophobicContact CG1-CG 4.09Å; V609-E613 WeakPolarHBondContact CG1-OE1 3.18Å; V609-E613 WeakPolarHBondContact O-CG 3.38Å; V609-E613 PolarHBondContact O-N 3.42Å |
| 610 | A | 88.8 | Confident | 76.6 | Confident | 28 Ų | 28 | 110.6 Ų | 110.6 | 23% | 0.231 | 61% | 0.613 | C | S | . | * | H | α-helix | trans | -65.3 | -11.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115 | E606 K614 | E606-A610 VanDerWaalsContact O-CB 3.22Å; E606-A610 WeakPolarHBondContact O-CB 3.33Å; E606-A610 PolarHBondContact O-N 3.09Å; A610-K614 WeakPolarHBondContact O-CD 3.39Å; A610-K614 VanDerWaalsContact O-CG 3.29Å; A610-K614 WeakPolarHBondContact O-CG 3.29Å; A610-K614 PolarHBondContact O-NZ 2.82Å |
| 611 | V | 85.9 | Confident | 74.8 | Confident | 97 Ų | 97 | 113.6 Ų | 113.6 | 59% | 0.588 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -90.4 | -39.4 | 169.6 | 165.4 | 0 | 0 | 0 | 0 | 111.2 | C607 R608 V609 K614 | C607-V611 VanDerWaalsContact O-CG2 3.28Å; C607-V611 WeakPolarHBondContact O-CG2 3.38Å; C607-V611 PolarHBondContact O-N 2.81Å; R608-V611 WeakPolarHBondContact O-CB 3.42Å; R608-V611 PolarHBondContact O-N 3.35Å; R608-V611 VanDerWaalsContact O-N 3.12Å; V609-V611 PolarHBondContact O-N 3.2Å; V611-K614 PolarHBondContact O-N 2.95Å |
| 612 | L | 74.6 | Confident | 71.4 | Confident | 111 Ų | 111 | 115.9 Ų | 115.9 | 58% | 0.581 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -64.5 | -48 | 174.5 | -67.4 | 171.4 | 0 | 0 | 0 | 111.1 | R608 V609 K614 R615 | R608-L612 WeakPolarHBondContact O-CG 3.48Å; R608-L612 PolarHBondContact O-N 3.5Å; V609-L612 PolarHBondContact O-N 3.4Å; L612-K614 PolarHBondContact O-N 2.79Å; L612-K614 VanDerWaalsContact O-N 3.07Å; L612-R615 PolarHBondContact O-N 3.33Å |
| 613 | E | 85.1 | Confident | 68.1 | Low | 151 Ų | 151 | 118.5 Ų | 118.5 | 71% | 0.706 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.2 | -18.9 | 176.4 | -69.1 | 175.7 | 160.7 | 0 | 0 | 114 | V609 | V609-E613 HydrophobicContact CG1-CG 4.09Å; V609-E613 WeakPolarHBondContact CG1-OE1 3.18Å; V609-E613 WeakPolarHBondContact O-CG 3.38Å; V609-E613 PolarHBondContact O-N 3.42Å |
| 614 | K | 77.5 | Confident | 64.9 | Low | 158 Ų | 158 | 120.3 Ų | 120.3 | 69% | 0.687 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | 4.1 | 178.1 | -74 | -172.7 | -172 | 83.9 | 0 | 114.1 | A610 V611 L612 P616 | A610-K614 WeakPolarHBondContact O-CD 3.39Å; A610-K614 VanDerWaalsContact O-CG 3.29Å; A610-K614 WeakPolarHBondContact O-CG 3.29Å; A610-K614 PolarHBondContact O-NZ 2.82Å; V611-K614 PolarHBondContact O-N 2.95Å; L612-K614 PolarHBondContact O-N 2.79Å; L612-K614 VanDerWaalsContact O-N 3.07Å; K614-P616 WeakPolarHBondContact O-CD 3.35Å |
| 615 | R | 56.9 | Low | 61.8 | Low | 200 Ų | 200 | 117.5 Ų | 117.5 | 76% | 0.755 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -95.8 | 110.3 | 169 | -79 | -178.6 | 164.2 | 173.5 | -5.2 | 110.3 | L612 | L612-R615 PolarHBondContact O-N 3.33Š|
| 616 | P | 53.2 | Low | 58.6 | Low | 126 Ų | 126 | 118.7 Ų | 118.7 | 82% | 0.818 | 70% | 0.699 | S | S | * | * | trans | -77.8 | 142.1 | 174.1 | 31.7 | -33.5 | 0 | 0 | 0 | 111.6 | K614 | K614-P616 WeakPolarHBondContact O-CD 3.35Š| ||
| 617 | A | 44.4 | Very low | 55.8 | Low | 105 Ų | 105 | 118.1 Ų | 118.1 | 87% | 0.868 | 71% | 0.705 | S | S | * | * | trans | -72.4 | 159.3 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 618 | S | 33.8 | Very low | 53.4 | Low | 109 Ų | 109 | 119.8 Ų | 119.8 | 76% | 0.762 | 72% | 0.715 | S | S | * | * | trans | -151.9 | 111.2 | 162.3 | 72 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 619 | V | 35.8 | Very low | 50.2 | Low | 142 Ų | 142 | 121 Ų | 121 | 86% | 0.861 | 73% | 0.725 | S | S | * | * | trans | 79.9 | 123.3 | 149.1 | -139.4 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 620 | T | 31.9 | Very low | 47.2 | Very low | 132 Ų | 132 | 123 Ų | 123 | 81% | 0.81 | 74% | 0.737 | S | S | * | * | trans | -83.8 | 171.2 | 169.1 | 26.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 621 | P | 58 | Low | 44.4 | Very low | 123 Ų | 123 | 129.2 Ų | 129.2 | 80% | 0.799 | 77% | 0.766 | S | S | * | * | trans | -109 | 165.5 | -147.3 | 40.6 | -37.7 | 0 | 0 | 0 | 117.6 | ||||
| 622 | A | 23 | Very low | 41.6 | Very low | 96 Ų | 96 | 127.7 Ų | 127.7 | 79% | 0.793 | 77% | 0.77 | S | S | * | * | trans | -161.4 | 122.7 | 156.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 623 | L | 28.6 | Very low | 39.4 | Very low | 169 Ų | 169 | 129.6 Ų | 129.6 | 89% | 0.885 | 79% | 0.787 | S | S | * | * | trans | 47.2 | 117.1 | 148.3 | -94.1 | 71.7 | 0 | 0 | 0 | 124.9 | ||||
| 624 | A | 27.6 | Very low | 36.7 | Very low | 93 Ų | 93 | 125.7 Ų | 125.7 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | 76.6 | 121.9 | 119.6 | 0 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 625 | A | 29.3 | Very low | 34.2 | Very low | 91 Ų | 91 | 124.4 Ų | 124.4 | 75% | 0.752 | 79% | 0.792 | S | S | * | * | 132 | 125.5 | 121 | 0 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 626 | S | 26.5 | Very low | 32.8 | Very low | 112 Ų | 112 | 122.4 Ų | 122.4 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | trans | 66.6 | 118.5 | 146.2 | 53.5 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 627 | V | 37.9 | Very low | 31.6 | Very low | 124 Ų | 124 | 124.6 Ų | 124.6 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | trans | -26 | 154 | 146.9 | -119.9 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 628 | P | 37.8 | Very low | 30.7 | Very low | 121 Ų | 121 | 129.9 Ų | 129.9 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | -147.3 | 168.3 | 77.9 | 38.4 | -19.2 | 0 | 0 | 0 | 119.2 | |||||
| 629 | F | 27.7 | Very low | 30.4 | Very low | 181 Ų | 181 | 129 Ų | 129 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | trans | -50 | 157 | 173.2 | -79.5 | -112.7 | 0 | 0 | 0 | 116.4 | ||||
| 630 | T | 26.6 | Very low | 29.9 | Very low | 115 Ų | 115 | 128 Ų | 128 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | 176.9 | 141.2 | 101.7 | 31.2 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 631 | N | 30.6 | Very low | 29.7 | Very low | 157 Ų | 157 | 126.1 Ų | 126.1 | 84% | 0.84 | 79% | 0.791 | S | S | * | * | trans | 40.6 | 138.7 | 141.8 | -46.1 | -17.3 | 0 | 0 | 0 | 120.8 | ||||
| 632 | G | 27.5 | Very low | 28.7 | Very low | 65 Ų | 65 | 125.7 Ų | 125.7 | 67% | 0.67 | 79% | 0.788 | S | S | * | * | cis | 166.9 | 168.1 | -3.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 633 | T | 28.8 | Very low | 28.9 | Very low | 151 Ų | 151 | 126.7 Ų | 126.7 | 93% | 0.926 | 78% | 0.784 | S | S | * | * | trans | 72.3 | 112.8 | 138.7 | -45.1 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 634 | G | 27.4 | Very low | 29 | Very low | 70 Ų | 70 | 126.3 Ų | 126.3 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | trans | 128.4 | 146.2 | 139.7 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 635 | V | 25.3 | Very low | 29 | Very low | 131 Ų | 131 | 128.4 Ų | 128.4 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | cis | -174.1 | 154.8 | -23.5 | 114.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 636 | Q | 27.6 | Very low | 29 | Very low | 157 Ų | 157 | 131.3 Ų | 131.3 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | trans | 77.7 | 119.6 | 176.9 | -51.4 | -130.5 | 18.9 | 0 | 0 | 116.7 | ||||
| 637 | Q | 28.4 | Very low | 29.1 | Very low | 173 Ų | 173 | 133.8 Ų | 133.8 | 81% | 0.808 | 77% | 0.766 | S | S | * | * | 75.2 | 116.5 | 56.9 | -71.2 | -171.8 | -13.6 | 0 | 0 | 114.8 | |||||
| 638 | K | 24.7 | Very low | 28.9 | Very low | 216 Ų | 216 | 135.8 Ų | 135.8 | 94% | 0.939 | 77% | 0.768 | S | S | * | * | 176.2 | 152.4 | 103.5 | -165.5 | 164 | -177.5 | 178.5 | 0 | 111.4 | |||||
| 639 | A | 27.8 | Very low | 28.6 | Very low | 91 Ų | 91 | 137.1 Ų | 137.1 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | trans | -112 | 155.8 | -172 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 640 | S | 25.4 | Very low | 28.9 | Very low | 120 Ų | 120 | 136.5 Ų | 136.5 | 84% | 0.839 | 77% | 0.773 | S | S | * | * | trans | -178.6 | 131.9 | 143.9 | 53 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 641 | A | 27.4 | Very low | 29.7 | Very low | 93 Ų | 93 | 138.8 Ų | 138.8 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | trans | -94.6 | -174.4 | 156 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 642 | P | 37.5 | Very low | 30 | Very low | 114 Ų | 114 | 139 Ų | 139 | 74% | 0.74 | 78% | 0.782 | S | S | * | * | cis | -142.2 | -167.8 | 4.1 | 28.9 | -2.2 | 0 | 0 | 0 | 116.4 | ||||
| 643 | V | 27.1 | Very low | 31 | Very low | 117 Ų | 117 | 143.7 Ų | 143.7 | 71% | 0.709 | 79% | 0.792 | S | S | * | * | trans | 119.8 | 122.1 | 141.3 | -175.9 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 644 | K | 30.1 | Very low | 32 | Very low | 161 Ų | 161 | 144.2 Ų | 144.2 | 70% | 0.7 | 79% | 0.789 | S | S | * | * | trans | 77.8 | 117.2 | 158.7 | -81.1 | 172 | 175.5 | -85.4 | 0 | 119.2 | ||||
| 645 | Q | 28.6 | Very low | 33 | Very low | 136 Ų | 136 | 147.7 Ų | 147.7 | 64% | 0.636 | 79% | 0.791 | S | S | * | * | 68 | 126.9 | 93.9 | -70 | -176 | -75.9 | 0 | 0 | 111.2 | |||||
| 646 | E | 28.1 | Very low | 34.3 | Very low | 152 Ų | 152 | 149.7 Ų | 149.7 | 71% | 0.71 | 80% | 0.797 | S | S | * | * | cis | -167 | 169.3 | 34.8 | -133.3 | 145 | -135.8 | 0 | 0 | 111.4 | ||||
| 647 | E | 29.5 | Very low | 35.3 | Very low | 165 Ų | 165 | 148.1 Ų | 148.1 | 77% | 0.771 | 79% | 0.792 | S | S | * | * | trans | 83.8 | 123.7 | 158.5 | -61.6 | -176 | 170.6 | 0 | 0 | 124.2 | ||||
| 648 | E | 32.3 | Very low | 36.7 | Very low | 166 Ų | 166 | 145.9 Ų | 145.9 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | trans | 73.9 | 134.4 | 137.9 | -65.5 | -179.6 | 166.8 | 0 | 0 | 125.5 | ||||
| 649 | D | 33.2 | Very low | 38.3 | Very low | 149 Ų | 149 | 142.5 Ų | 142.5 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | trans | 56.9 | 120.6 | 160.6 | -60.3 | -18.8 | 0 | 0 | 0 | 123.3 | D651 | D649-D651 PolarHBondContact O-N 2.97Š| ||
| 650 | D | 33.2 | Very low | 39.2 | Very low | 167 Ų | 167 | 147.3 Ų | 147.3 | 89% | 0.893 | 78% | 0.782 | S | S | * | * | trans | -81.5 | 96.9 | 167.2 | -77.2 | -41.8 | 0 | 0 | 0 | 110.5 | ||||
| 651 | D | 42.3 | Very low | 40.4 | Very low | 163 Ų | 163 | 144.8 Ų | 144.8 | 87% | 0.872 | 78% | 0.775 | S | S | * | * | trans | -103.9 | 115.4 | 155.2 | -94 | -33.4 | 0 | 0 | 0 | 107.4 | D649 | D649-D651 PolarHBondContact O-N 2.97Š| ||
| 652 | D | 38.6 | Very low | 41.2 | Very low | 161 Ų | 161 | 145.4 Ų | 145.4 | 86% | 0.861 | 77% | 0.774 | S | S | * | * | trans | -144.1 | 69 | -177.4 | -135.5 | 11.9 | 0 | 0 | 0 | 110.5 | ||||
| 653 | D | 47.8 | Very low | 41.3 | Very low | 164 Ų | 164 | 147.2 Ų | 147.2 | 88% | 0.877 | 78% | 0.777 | S | S | * | * | trans | -153.3 | 55.5 | 175.1 | -138.7 | 9.3 | 0 | 0 | 0 | 111.8 | ||||
| 654 | D | 50.5 | Low | 42 | Very low | 163 Ų | 163 | 149.7 Ų | 149.7 | 87% | 0.872 | 78% | 0.781 | S | S | * | * | trans | -167.7 | 93.4 | 163.3 | -119.5 | -15.5 | 0 | 0 | 0 | 112.5 | ||||
| 655 | D | 47.6 | Very low | 43.2 | Very low | 143 Ų | 143 | 148.1 Ų | 148.1 | 77% | 0.765 | 78% | 0.78 | S | S | * | * | trans | -157.6 | 32 | 160.1 | -127.4 | -6.3 | 0 | 0 | 0 | 115 | I657 | D655-I657 PolarHBondContact O-N 2.91Š| ||
| 656 | D | 52.6 | Low | 44.4 | Very low | 172 Ų | 172 | 150.1 Ų | 150.1 | 92% | 0.92 | 79% | 0.79 | S | S | * | * | trans | -88.4 | 55.2 | 170.7 | -112 | -1.1 | 0 | 0 | 0 | 110.9 | D658 | D656-D658 PolarHBondContact O-N 3.5Š| ||
| 657 | I | 47.9 | Very low | 45.5 | Very low | 124 Ų | 124 | 150.5 Ų | 150.5 | 64% | 0.636 | 79% | 0.791 | S | S | * | * | trans | -73.9 | 91.9 | 177.2 | -57.1 | -178.6 | 0 | 0 | 0 | 109.9 | D655 L659 | D655-I657 PolarHBondContact O-N 2.91Å; I657-L659 HydrophobicContact CG2-CD1 3.57Å; I657-L659 PolarHBondContact O-N 3.38Å | ||
| 658 | D | 58.5 | Low | 46.6 | Very low | 126 Ų | 126 | 144.1 Ų | 144.1 | 67% | 0.674 | 77% | 0.767 | S | S | * | * | trans | -68.5 | 99.7 | 172 | -176.6 | 5.9 | 0 | 0 | 0 | 111.7 | D656 F660 | D656-D658 PolarHBondContact O-N 3.5Å; D658-F660 VanDerWaalsContact C-N 3.32Å; D658-F660 PolarHBondContact OD1-N 2.84Å | ||
| 659 | L | 58.5 | Low | 47.9 | Very low | 145 Ų | 145 | 142.9 Ų | 142.9 | 76% | 0.759 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | 8.1 | 178.1 | -126 | 76 | 0 | 0 | 0 | 114.3 | I657 | I657-L659 HydrophobicContact CG2-CD1 3.57Å; I657-L659 PolarHBondContact O-N 3.38Å |
| 660 | F | 46.5 | Very low | 49.2 | Very low | 192 Ų | 192 | 143.2 Ų | 143.2 | 84% | 0.842 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.5 | 18.9 | -176.3 | -77.5 | -82.2 | 0 | 0 | 0 | 114.8 | D658 S662 | D658-F660 VanDerWaalsContact C-N 3.32Å; D658-F660 PolarHBondContact OD1-N 2.84Å; F660-S662 PolarHBondContact O-N 3.04Å |
| 661 | G | 50.6 | Low | 50.3 | Low | 68 Ų | 68 | 139.5 Ų | 139.5 | 70% | 0.701 | 74% | 0.735 | S | S | * | * | trans | -72.1 | 79.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 662 | S | 45.1 | Very low | 51.2 | Low | 106 Ų | 106 | 137.9 Ų | 137.9 | 74% | 0.741 | 72% | 0.721 | S | S | * | * | trans | -162.5 | 80.3 | 156.8 | 66.8 | 0 | 0 | 0 | 0 | 115.2 | F660 | F660-S662 PolarHBondContact O-N 3.04Š| ||
| 663 | D | 38.1 | Very low | 52.5 | Low | 151 Ų | 151 | 135.1 Ų | 135.1 | 81% | 0.807 | 70% | 0.703 | S | S | * | * | S | Bend | -171.5 | 141.1 | 128.5 | -117.7 | -18.6 | 0 | 0 | 0 | 113.2 | |||
| 664 | E | 42.5 | Very low | 53 | Low | 169 Ų | 169 | 132.9 Ų | 132.9 | 79% | 0.79 | 69% | 0.687 | S | S | * | * | trans | 40.1 | 103.8 | 164.7 | -63.4 | -177.2 | 140.8 | 0 | 0 | 120.8 | ||||
| 665 | D | 56.2 | Low | 53.5 | Low | 128 Ų | 128 | 131.2 Ų | 131.2 | 68% | 0.684 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -89.8 | -12.3 | -167.2 | -80.5 | -54.5 | 0 | 0 | 0 | 118.3 | ||
| 666 | E | 53.4 | Low | 54.3 | Low | 179 Ų | 179 | 130.1 Ų | 130.1 | 84% | 0.836 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -87.5 | -28.7 | -170.9 | -72.1 | -169.5 | 167.7 | 0 | 0 | 115.8 | ||
| 667 | E | 50.3 | Low | 54.8 | Low | 159 Ų | 159 | 127 Ų | 127 | 74% | 0.743 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -84.5 | -24.7 | 172.8 | -64.5 | -159.3 | 160.5 | 0 | 0 | 112.1 | E669 K670 L671 | E667-E669 PolarHBondContact O-N 3.3Å; E667-K670 PolarHBondContact O-N 2.63Å; E667-L671 PolarHBondContact O-N 3.3Å |
| 668 | A | 53.8 | Low | 55.3 | Low | 32 Ų | 32 | 123.9 Ų | 123.9 | 26% | 0.264 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -66 | -34.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L671 K672 | A668-L671 PolarHBondContact O-N 2.94Å; A668-K672 VanDerWaalsContact O-CB 3.29Å; A668-K672 WeakPolarHBondContact O-CB 3.45Å; A668-K672 WeakPolarHBondContact O-CG 3.27Å; A668-K672 PolarHBondContact O-N 2.86Å |
| 669 | E | 58.2 | Low | 54.9 | Low | 140 Ų | 140 | 124.4 Ų | 124.4 | 65% | 0.654 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -69.5 | -40.2 | 175.6 | -71 | -163.3 | 154.9 | 0 | 0 | 112.5 | E667 K672 E673 | E667-E669 PolarHBondContact O-N 3.3Å; E669-K672 PolarHBondContact O-N 3.2Å; E669-E673 WeakPolarHBondContact O-CB 3.24Å; E669-E673 PolarHBondContact O-N 2.88Å |
| 670 | K | 61.8 | Low | 55 | Low | 156 Ų | 156 | 120.3 Ų | 120.3 | 68% | 0.678 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -64.7 | -39 | 171.7 | -82.7 | 178.6 | 178.7 | 168 | 0 | 112.1 | E667 E673 Q674 | E667-K670 PolarHBondContact O-N 2.63Å; K670-E673 PolarHBondContact O-N 3.04Å; K670-Q674 WeakPolarHBondContact O-CB 3.48Å; K670-Q674 PolarHBondContact O-N 3.13Å |
| 671 | L | 56.4 | Low | 55.7 | Low | 89 Ų | 89 | 116.4 Ų | 116.4 | 47% | 0.466 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -67.9 | -36.1 | 173.4 | -89.9 | 157.9 | 0 | 0 | 0 | 112.5 | E667 A668 R675 | E667-L671 PolarHBondContact O-N 3.3Å; A668-L671 PolarHBondContact O-N 2.94Å; L671-R675 WeakPolarHBondContact O-CB 3.39Å; L671-R675 WeakPolarHBondContact O-CG 3.49Å; L671-R675 PolarHBondContact O-N 3.04Å |
| 672 | K | 60.6 | Low | 56.1 | Low | 129 Ų | 129 | 118 Ų | 118 | 56% | 0.561 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -67.8 | -43.6 | 173 | -76.8 | 166.5 | -178 | 173.2 | 0 | 111.2 | A668 E669 R675 L676 | A668-K672 VanDerWaalsContact O-CB 3.29Å; A668-K672 WeakPolarHBondContact O-CB 3.45Å; A668-K672 WeakPolarHBondContact O-CG 3.27Å; A668-K672 PolarHBondContact O-N 2.86Å; E669-K672 PolarHBondContact O-N 3.2Å; K672-R675 CarbonylContact O-C 3.6Å; K672-R675 PolarHBondContact O-N 3.19Å; K672-L676 VanDerWaalsContact O-CB 3.28Å; K672-L676 WeakPolarHBondContact O-CB 3.38Å; K672-L676 VanDerWaalsContact O-CG 3.24Å; K672-L676 WeakPolarHBondContact O-CG 3.48Å; K672-L676 PolarHBondContact O-N 3.37Å |
| 673 | E | 64.6 | Low | 56.7 | Low | 103 Ų | 103 | 120.6 Ų | 120.6 | 48% | 0.481 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -67.5 | -42.5 | 177 | -161.9 | -156.6 | -173.1 | 0 | 0 | 111.4 | E669 K670 R675 L676 K677 | E669-E673 WeakPolarHBondContact O-CB 3.24Å; E669-E673 PolarHBondContact O-N 2.88Å; K670-E673 PolarHBondContact O-N 3.04Å; E673-R675 VanDerWaalsContact C-N 3.34Å; E673-L676 PolarHBondContact O-N 3.2Å; E673-K677 HydrophobicContact CG-CD 4.43Å; E673-K677 WeakPolarHBondContact O-CB 3.4Å; E673-K677 WeakPolarHBondContact O-CG 3.18Å; E673-K677 PolarHBondContact O-N 2.95Å; E673-K677 WeakPolarHBondContact OE1-CE 3.39Å; E673-K677 IonicContact OE1-NZ 3.07Å; E673-K677 PolarHBondContact OE1-NZ 3.32Å; E673-K677 IonicContact OE2-NZ 2.62Å; E673-K677 PolarHBondContact OE2-NZ 2.99Å; E673-K677 VanDerWaalsContact OE2-NZ 3.07Å |
| 674 | Q | 58.3 | Low | 57.6 | Low | 117 Ų | 117 | 117 Ų | 117 | 55% | 0.547 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -66.1 | -37.2 | 174.8 | -167.5 | 168.2 | 39.1 | 0 | 0 | 111 | K670 E678 | K670-Q674 WeakPolarHBondContact O-CB 3.48Å; K670-Q674 PolarHBondContact O-N 3.13Å; Q674-E678 WeakPolarHBondContact O-CB 3.44Å; Q674-E678 WeakPolarHBondContact O-CG 3.22Å; Q674-E678 PolarHBondContact O-N 2.75Å |
| 675 | R | 62.8 | Low | 58.1 | Low | 128 Ų | 128 | 115.9 Ų | 115.9 | 48% | 0.483 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -69.7 | -35.9 | 170.5 | -73.2 | -71 | 175.8 | 80 | 8.6 | 112.7 | L671 K672 E673 E678 Y679 | L671-R675 WeakPolarHBondContact O-CB 3.39Å; L671-R675 WeakPolarHBondContact O-CG 3.49Å; L671-R675 PolarHBondContact O-N 3.04Å; K672-R675 CarbonylContact O-C 3.6Å; K672-R675 PolarHBondContact O-N 3.19Å; E673-R675 VanDerWaalsContact C-N 3.34Å; R675-E678 IonicContact NE-OE1 3.76Å; R675-E678 IonicContact NE-OE2 3.98Å; R675-E678 CarbonylContact O-C 3.55Å; R675-E678 WeakPolarHBondContact O-CB 3.34Å; R675-E678 PolarHBondContact O-N 3.01Å; R675-Y679 HydrophobicContact CB-CD2 4.34Å; R675-Y679 HydrophobicContact CB-CE2 4.37Å; R675-Y679 VanDerWaalsContact O-CB 3.3Å; R675-Y679 WeakPolarHBondContact O-CB 3.29Å; R675-Y679 WeakPolarHBondContact O-CD2 3.32Å; R675-Y679 PolarHBondContact O-N 2.7Å |
| 676 | L | 63.1 | Low | 58 | Low | 119 Ų | 119 | 117.2 Ų | 117.2 | 62% | 0.623 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -67.9 | -37.9 | 174.7 | -80.5 | 163.1 | 0 | 0 | 0 | 111.3 | K672 E673 Y679 A680 | K672-L676 VanDerWaalsContact O-CB 3.28Å; K672-L676 WeakPolarHBondContact O-CB 3.38Å; K672-L676 VanDerWaalsContact O-CG 3.24Å; K672-L676 WeakPolarHBondContact O-CG 3.48Å; K672-L676 PolarHBondContact O-N 3.37Å; E673-L676 PolarHBondContact O-N 3.2Å; L676-Y679 CarbonylContact O-C 3.5Å; L676-Y679 PolarHBondContact O-N 3.26Å; L676-A680 WeakPolarHBondContact O-CB 3.39Å; L676-A680 PolarHBondContact O-N 3.33Å |
| 677 | K | 64.1 | Low | 57.9 | Low | 106 Ų | 106 | 114.6 Ų | 114.6 | 46% | 0.461 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65.1 | -46.4 | 169.3 | -72.4 | 167.5 | -176.3 | 167.7 | 0 | 110.9 | E673 Y679 A680 E681 | E673-K677 HydrophobicContact CG-CD 4.43Å; E673-K677 WeakPolarHBondContact O-CB 3.4Å; E673-K677 WeakPolarHBondContact O-CG 3.18Å; E673-K677 PolarHBondContact O-N 2.95Å; E673-K677 WeakPolarHBondContact OE1-CE 3.39Å; E673-K677 IonicContact OE1-NZ 3.07Å; E673-K677 PolarHBondContact OE1-NZ 3.32Å; E673-K677 IonicContact OE2-NZ 2.62Å; E673-K677 PolarHBondContact OE2-NZ 2.99Å; E673-K677 VanDerWaalsContact OE2-NZ 3.07Å; K677-Y679 VanDerWaalsContact C-N 3.28Å; K677-Y679 PolarHBondContact O-N 3.47Å; K677-A680 WeakPolarHBondContact O-CB 2.95Å; K677-A680 PolarHBondContact O-N 3.42Å; K677-E681 WeakPolarHBondContact O-CB 3.43Å; K677-E681 WeakPolarHBondContact O-CG 3.27Å; K677-E681 PolarHBondContact O-N 2.9Å |
| 678 | E | 58 | Low | 58.2 | Low | 59 Ų | 59 | 110.4 Ų | 110.4 | 28% | 0.276 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -59.9 | -34.6 | 170.6 | -78 | -178.7 | -132.5 | 0 | 0 | 112.7 | Q674 R675 K682 | Q674-E678 WeakPolarHBondContact O-CB 3.44Å; Q674-E678 WeakPolarHBondContact O-CG 3.22Å; Q674-E678 PolarHBondContact O-N 2.75Å; R675-E678 IonicContact NE-OE1 3.76Å; R675-E678 IonicContact NE-OE2 3.98Å; R675-E678 CarbonylContact O-C 3.55Å; R675-E678 WeakPolarHBondContact O-CB 3.34Å; R675-E678 PolarHBondContact O-N 3.01Å; E678-K682 WeakPolarHBondContact O-CB 3.21Å; E678-K682 WeakPolarHBondContact O-CD 3.45Å; E678-K682 WeakPolarHBondContact O-CG 3.22Å; E678-K682 PolarHBondContact O-N 3.45Å; E678-K682 IonicContact OE2-NZ 3.76Å; E678-K682 PolarHBondContact OE2-NZ 2.92Å |
| 679 | Y | 50.1 | Low | 58.5 | Low | 137 Ų | 137 | 117.1 Ų | 117.1 | 54% | 0.537 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -77.3 | -30.9 | 176.9 | -82.8 | -62 | 0 | 0 | 0 | 111.9 | R675 L676 K677 K682 K683 | R675-Y679 HydrophobicContact CB-CD2 4.34Å; R675-Y679 HydrophobicContact CB-CE2 4.37Å; R675-Y679 VanDerWaalsContact O-CB 3.3Å; R675-Y679 WeakPolarHBondContact O-CB 3.29Å; R675-Y679 WeakPolarHBondContact O-CD2 3.32Å; R675-Y679 PolarHBondContact O-N 2.7Å; L676-Y679 CarbonylContact O-C 3.5Å; L676-Y679 PolarHBondContact O-N 3.26Å; K677-Y679 VanDerWaalsContact C-N 3.28Å; K677-Y679 PolarHBondContact O-N 3.47Å; Y679-K682 PolarHBondContact O-N 2.83Å; Y679-K683 VanDerWaalsContact O-CB 3.27Å; Y679-K683 WeakPolarHBondContact O-CB 3.39Å; Y679-K683 WeakPolarHBondContact O-CG 3.27Å; Y679-K683 PolarHBondContact O-N 3.37Å |
| 680 | A | 61.3 | Low | 58.7 | Low | 60 Ų | 60 | 113.2 Ų | 113.2 | 50% | 0.496 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -67 | -47.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | L676 K677 K682 K683 A684 | L676-A680 WeakPolarHBondContact O-CB 3.39Å; L676-A680 PolarHBondContact O-N 3.33Å; K677-A680 WeakPolarHBondContact O-CB 2.95Å; K677-A680 PolarHBondContact O-N 3.42Å; A680-K682 VanDerWaalsContact C-N 3.32Å; A680-K682 PolarHBondContact O-N 2.93Å; A680-K683 PolarHBondContact O-N 3.31Å; A680-A684 WeakPolarHBondContact O-CB 3.47Å; A680-A684 PolarHBondContact O-N 3.29Å |
| 681 | E | 59.9 | Low | 59.6 | Low | 109 Ų | 109 | 106.9 Ų | 106.9 | 51% | 0.509 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.9 | -36.7 | 171.7 | -71.8 | 173.9 | -154.3 | 0 | 0 | 112.8 | K677 K685 | K677-E681 WeakPolarHBondContact O-CB 3.43Å; K677-E681 WeakPolarHBondContact O-CG 3.27Å; K677-E681 PolarHBondContact O-N 2.9Å; E681-K685 WeakPolarHBondContact O-CD 3.12Å; E681-K685 WeakPolarHBondContact O-CG 3.39Å; E681-K685 PolarHBondContact O-N 2.85Å |
| 682 | K | 59.6 | Low | 61 | Low | 101 Ų | 101 | 105.5 Ų | 105.5 | 44% | 0.439 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -78.6 | -25.2 | 176.9 | -70.9 | 160.8 | -161.8 | 167.4 | 0 | 112.7 | E678 Y679 A680 | E678-K682 WeakPolarHBondContact O-CB 3.21Å; E678-K682 WeakPolarHBondContact O-CD 3.45Å; E678-K682 WeakPolarHBondContact O-CG 3.22Å; E678-K682 PolarHBondContact O-N 3.45Å; E678-K682 IonicContact OE2-NZ 3.76Å; E678-K682 PolarHBondContact OE2-NZ 2.92Å; Y679-K682 PolarHBondContact O-N 2.83Å; A680-K682 VanDerWaalsContact C-N 3.32Å; A680-K682 PolarHBondContact O-N 2.93Å |
| 683 | K | 58.7 | Low | 62.3 | Low | 161 Ų | 161 | 99.4 Ų | 99.4 | 70% | 0.7 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -79.8 | -35.4 | 169 | -80 | -172 | 174.2 | -177.9 | 0 | 111.9 | Y679 A680 K685 K686 | Y679-K683 VanDerWaalsContact O-CB 3.27Å; Y679-K683 WeakPolarHBondContact O-CB 3.39Å; Y679-K683 WeakPolarHBondContact O-CG 3.27Å; Y679-K683 PolarHBondContact O-N 3.37Å; A680-K683 PolarHBondContact O-N 3.31Å; K683-K685 PolarHBondContact O-N 3.41Å; K683-K686 WeakPolarHBondContact O-CB 3.39Å; K683-K686 PolarHBondContact O-N 2.92Å; K683-K686 VanDerWaalsContact O-N 3.11Å |
| 684 | A | 55.2 | Low | 63.5 | Low | 75 Ų | 75 | 96 Ų | 96 | 62% | 0.62 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -70.3 | -16.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | A680 K686 | A680-A684 WeakPolarHBondContact O-CB 3.47Å; A680-A684 PolarHBondContact O-N 3.29Å; A684-K686 PolarHBondContact O-N 2.96Å; A684-K686 VanDerWaalsContact O-O 3.12Å |
| 685 | K | 54.2 | Low | 65.1 | Low | 146 Ų | 146 | 90.5 Ų | 90.5 | 64% | 0.635 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -0.8 | 166.8 | -80.6 | 160.7 | -172.3 | 153.7 | 0 | 114 | E681 K683 P687 | E681-K685 WeakPolarHBondContact O-CD 3.12Å; E681-K685 WeakPolarHBondContact O-CG 3.39Å; E681-K685 PolarHBondContact O-N 2.85Å; K683-K685 PolarHBondContact O-N 3.41Å; K685-P687 WeakPolarHBondContact O-CD 3.4Å |
| 686 | K | 52.9 | Low | 66.5 | Low | 157 Ų | 157 | 86.4 Ų | 86.4 | 68% | 0.683 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -78 | 118.9 | 153 | -64 | -176.9 | 179.3 | -175.2 | 0 | 106.7 | K683 A684 A688 | K683-K686 WeakPolarHBondContact O-CB 3.39Å; K683-K686 PolarHBondContact O-N 2.92Å; K683-K686 VanDerWaalsContact O-N 3.11Å; A684-K686 PolarHBondContact O-N 2.96Å; A684-K686 VanDerWaalsContact O-O 3.12Å; K686-A688 PolarHBondContact O-N 2.6Å |
| 687 | P | 51.4 | Low | 67.8 | Low | 124 Ų | 124 | 80.9 Ų | 80.9 | 81% | 0.805 | 42% | 0.421 | S | S | * | . | trans | -68.5 | 89.6 | 172.5 | 29.4 | -33.2 | 0 | 0 | 0 | 108.4 | K685 | K685-P687 WeakPolarHBondContact O-CD 3.4Š| ||
| 688 | A | 57.4 | Low | 69.2 | Low | 70 Ų | 70 | 76.4 Ų | 76.4 | 58% | 0.579 | 40% | 0.403 | S | S | * | . | trans | -55.9 | 156.8 | 153 | 0 | 0 | 0 | 0 | 0 | 108.1 | K686 I690 | K686-A688 PolarHBondContact O-N 2.6Å; A688-I690 PolarHBondContact O-N 3.29Å | ||
| 689 | I | 59 | Low | 70.7 | Confident | 173 Ų | 173 | 73.6 Ų | 73.6 | 89% | 0.887 | 39% | 0.389 | S | S | * | . | trans | -74.7 | 80.5 | 171.6 | -58.3 | 167.6 | 0 | 0 | 0 | 105.7 | A691 | I689-A691 PolarHBondContact O-N 2.79Š| ||
| 690 | I | 63.6 | Low | 72.7 | Confident | 59 Ų | 59 | 70.6 Ų | 70.6 | 30% | 0.303 | 38% | 0.379 | S | S | . | . | trans | -61.8 | 110.7 | 178.1 | -61.2 | 166.2 | 0 | 0 | 0 | 106 | A688 K692 E747 | A688-I690 PolarHBondContact O-N 3.29Å; I690-K692 HydrophobicContact CG2-CG 4.31Å; I690-K692 PolarHBondContact O-N 2.84Å; I690-E747 HydrophobicContact CG2-CB 3.7Å; I690-E747 HydrophobicContact CG2-CG 3.72Å | ||
| 691 | A | 79.9 | Confident | 74.1 | Confident | 23 Ų | 23 | 67.9 Ų | 67.9 | 19% | 0.19 | 36% | 0.356 | C | S | . | . | trans | -63.1 | 124.6 | 173 | 0 | 0 | 0 | 0 | 0 | 107.9 | I689 D748 | I689-A691 PolarHBondContact O-N 2.79Å; A691-D748 HydrophobicContact CB-CB 4.17Å; A691-D748 PolarHBondContact O-N 2.96Å | ||
| 692 | K | 86.1 | Confident | 75.3 | Confident | 59 Ų | 59 | 69.2 Ų | 69.2 | 26% | 0.257 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 147.9 | 177 | -75.1 | 163.5 | -173.3 | -80.1 | 0 | 108.3 | I690 V745 V746 E747 I778 | I690-K692 HydrophobicContact CG2-CG 4.31Å; I690-K692 PolarHBondContact O-N 2.84Å; K692-V745 HydrophobicContact CB-CG1 4.46Å; K692-V746 WeakPolarHBondContact CA-O 3.45Å; K692-V746 WeakPolarHBondContact CB-O 3.08Å; K692-E747 HydrophobicContact CG-CG 4.15Å; K692-E747 IonicContact NZ-OE1 2.63Å; K692-E747 PolarHBondContact NZ-OE1 3.46Å; K692-I778 HydrophobicContact CB-CD1 4.01Å; K692-I778 HydrophobicContact CB-CG1 3.55Å; K692-I778 PolarHBondContact O-N 3.22Å |
| 693 | S | 87.9 | Confident | 76.5 | Confident | 2 Ų | 2 | 68.3 Ų | 68.3 | 1% | 0.014 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 138 | 168.9 | 53.9 | 0 | 0 | 0 | 0 | 110.5 | V745 V746 D748 F775 N776 | S693-V745 CarbonylContact O-C 3.53Å; S693-V745 WeakPolarHBondContact O-CA 3.44Å; S693-V746 PolarHBondContact N-O 2.9Å; S693-V746 PolarHBondContact O-N 3.47Å; S693-V746 WeakPolarHBondContact OG-CG2 3.38Å; S693-D748 VanDerWaalsContact CB-OD1 3.28Å; S693-D748 WeakPolarHBondContact CB-OD1 3.49Å; S693-D748 PolarHBondContact N-OD1 3.3Å; S693-D748 PolarHBondContact OG-OD1 3.47Å; S693-F775 WeakPolarHBondContact OG-CE2 3.42Å; S693-N776 CarbonylContact C-O 3.54Å; S693-N776 WeakPolarHBondContact CA-O 3.39Å |
| 694 | S | 90.8 | Very high | 77.7 | Confident | 30 Ų | 30 | 64.9 Ų | 64.9 | 21% | 0.21 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 114.9 | 172.3 | -178.3 | 0 | 0 | 0 | 0 | 107.9 | C744 N776 | S694-C744 CarbonylContact C-O 3.58Å; S694-C744 WeakPolarHBondContact CA-O 3.36Å; S694-N776 PolarHBondContact N-O 2.99Å; S694-N776 PolarHBondContact O-N 3.19Å |
| 695 | I | 90.8 | Very high | 78.9 | Confident | 3 Ų | 3 | 69.8 Ų | 69.8 | 2% | 0.015 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 134.9 | -172.4 | -44.1 | -175.4 | 0 | 0 | 0 | 108 | L697 A743 C744 V746 T753 V772 F775 | I695-L697 HydrophobicContact CG2-CD2 4.02Å; I695-L697 HydrophobicContact CG2-CG 4.17Å; I695-A743 CarbonylContact O-C 3.6Å; I695-A743 WeakPolarHBondContact O-CA 3.48Å; I695-C744 PolarHBondContact N-O 3.34Å; I695-C744 PolarHBondContact O-N 3.28Å; I695-V746 HydrophobicContact CD1-CG2 3.87Å; I695-V746 HydrophobicContact CG1-CG2 4.4Å; I695-T753 HydrophobicContact CD1-CG2 3.59Å; I695-V772 HydrophobicContact CG2-CG1 4.07Å; I695-F775 HydrophobicContact CD1-CD2 3.89Å; I695-F775 HydrophobicContact CD1-CE2 3.85Å; I695-F775 HydrophobicContact CG1-CD2 3.79Å; I695-F775 HydrophobicContact CG1-CE2 4.03Å; I695-F775 HydrophobicContact CG2-CD2 4.49Å |
| 696 | L | 92.4 | Very high | 80.1 | Confident | 41 Ų | 41 | 64 Ų | 64 | 22% | 0.215 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 114.3 | 168.3 | -68 | 179.5 | 0 | 0 | 0 | 108.1 | A743 A773 A774 | L696-A743 HydrophobicContact CD2-CB 3.66Å; L696-A773 HydrophobicContact CB-CB 4.17Å; L696-A773 WeakPolarHBondContact O-CB 3.14Å; L696-A773 PolarHBondContact O-N 3.34Å; L696-A774 HydrophobicContact CB-CB 4.17Å; L696-A774 HydrophobicContact CD1-CB 4.04Å; L696-A774 HydrophobicContact CG-CB 4.34Å; L696-A774 PolarHBondContact N-O 3.35Å; L696-A774 PolarHBondContact O-N 2.85Å |
| 697 | L | 91.3 | Very high | 81.7 | Confident | 3 Ų | 3 | 59.8 Ų | 59.8 | 2% | 0.016 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 124.8 | 177.1 | -63.7 | 168.3 | 0 | 0 | 0 | 109 | I695 W725 Q741 I742 I760 V770 V772 | I695-L697 HydrophobicContact CG2-CD2 4.02Å; I695-L697 HydrophobicContact CG2-CG 4.17Å; L697-W725 HydrophobicContact CD1-CZ3 4.45Å; L697-Q741 CarbonylContact O-C 3.59Å; L697-Q741 WeakPolarHBondContact O-CA 3.47Å; L697-I742 HydrophobicContact CB-CG2 4.1Å; L697-I742 PolarHBondContact N-O 2.85Å; L697-I742 PolarHBondContact O-N 3.25Å; L697-I760 HydrophobicContact CD1-CD1 3.76Å; L697-V770 HydrophobicContact CD2-CG1 4.26Å; L697-V772 HydrophobicContact CD2-CG2 4.07Å |
| 698 | D | 92.4 | Very high | 83.1 | Confident | 13 Ų | 13 | 55.3 Ų | 55.3 | 7% | 0.07 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 106.3 | 171.3 | -82.5 | 11.1 | 0 | 0 | 0 | 108.5 | K739 Q741 D771 A773 | D698-K739 HydrophobicContact CB-CD 4.24Å; D698-K739 WeakPolarHBondContact OD2-CD 3.25Å; D698-K739 WeakPolarHBondContact OD2-CE 3.31Å; D698-K739 IonicContact OD2-NZ 3.22Å; D698-K739 PolarHBondContact OD2-NZ 2.96Å; D698-Q741 WeakPolarHBondContact OD1-CB 2.99Å; D698-Q741 WeakPolarHBondContact OD1-CG 3.25Å; D698-Q741 PolarHBondContact OD1-NE2 2.9Å; D698-D771 HydrophobicContact CB-CB 4.28Å; D698-D771 PolarHBondContact N-O 3.07Å; D698-D771 PolarHBondContact O-N 2.89Å; D698-A773 HydrophobicContact CB-CB 4.25Å; D698-A773 VanDerWaalsContact CG-CB 3.5Å; D698-A773 WeakPolarHBondContact OD1-CB 3.03Å |
| 699 | V | 90.3 | Very high | 84.4 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 120.1 | 175.4 | -168.9 | 0 | 0 | 0 | 0 | 108.8 | L711 V715 L740 I760 V767 | V699-L711 HydrophobicContact CB-CD2 4.12Å; V699-L711 HydrophobicContact CG1-CD1 4.42Å; V699-L711 HydrophobicContact CG1-CD2 3.81Å; V699-L711 HydrophobicContact CG1-CG 4.49Å; V699-V715 HydrophobicContact CG2-CG2 4.47Å; V699-L740 HydrophobicContact CB-CB 4.42Å; V699-L740 PolarHBondContact N-O 2.92Å; V699-L740 PolarHBondContact O-N 3.22Å; V699-I760 HydrophobicContact CG1-CG2 4.18Å; V699-I760 HydrophobicContact CG2-CG2 4.05Å; V699-V767 HydrophobicContact CG1-CB 4.19Å; V699-V767 HydrophobicContact CG1-CG1 3.62Å; V699-V767 HydrophobicContact CG1-CG2 3.56Å |
| 700 | K | 91.1 | Very high | 85.7 | Confident | 74 Ų | 74 | 51.4 Ų | 51.4 | 32% | 0.322 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 120 | -177.7 | -167.7 | -174.4 | 177.1 | -158.2 | 0 | 109.7 | Q768 S769 | K700-Q768 WeakPolarHBondContact O-CB 3.13Å; K700-Q768 PolarHBondContact O-N 3.37Å; K700-S769 PolarHBondContact N-O 3.43Å; K700-S769 PolarHBondContact O-N 2.73Å |
| 701 | P | 90.8 | Very high | 86.8 | Confident | 2 Ų | 2 | 48.7 Ų | 48.7 | 1% | 0.013 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 165.5 | 175.1 | 33 | -36.8 | 0 | 0 | 0 | 111.6 | T706 M708 L711 I737 K738 Y766 | P701-T706 HydrophobicContact CB-CG2 4.03Å; P701-M708 HydrophobicContact CB-SD 4.23Å; P701-M708 HydrophobicContact CG-CE 4.18Å; P701-M708 HydrophobicContact CG-SD 3.86Å; P701-L711 HydrophobicContact CB-CD1 3.97Å; P701-I737 HydrophobicContact CG-CG2 4.17Å; P701-K738 VanDerWaalsContact CD-O 3.27Å; P701-K738 WeakPolarHBondContact CD-O 3.5Å; P701-K738 VanDerWaalsContact CG-O 3.28Å; P701-K738 WeakPolarHBondContact CG-O 3.25Å; P701-Y766 WeakPolarHBondContact CA-O 3.24Å |
| 702 | W | 85.6 | Confident | 87.2 | Confident | 137 Ų | 137 | 49.8 Ų | 49.8 | 52% | 0.519 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -65.6 | -43.8 | 174.1 | -76.8 | 104 | 0 | 0 | 0 | 113.6 | E764 V767 Q768 | W702-E764 PolarHBondContact NE1-O 2.85Å; W702-V767 PolarHBondContact NE1-O 3.12Å; W702-V767 VanDerWaalsContact NE1-O 3.14Å; W702-Q768 HydrophobicContact CD2-CB 3.86Å; W702-Q768 HydrophobicContact CD2-CG 4.41Å; W702-Q768 HydrophobicContact CE3-CB 4.09Å; W702-Q768 HydrophobicContact CE3-CG 4.15Å; W702-Q768 VanDerWaalsContact CE3-NE2 3.3Å; W702-Q768 HydrophobicContact CG-CB 4.24Å; W702-Q768 HydrophobicContact CH2-CG 4.34Å; W702-Q768 HydrophobicContact CZ2-CB 4.39Å; W702-Q768 HydrophobicContact CZ3-CB 4.44Å; W702-Q768 HydrophobicContact CZ3-CG 4.11Å |
| 703 | D | 85.6 | Confident | 87.3 | Confident | 83 Ų | 83 | 53.6 Ų | 53.6 | 44% | 0.444 | 27% | 0.268 | S | S | . | . | trans | -151.9 | 170 | -175.6 | -153.1 | 1.6 | 0 | 0 | 0 | 113.4 | E705 T706 | D703-E705 VanDerWaalsContact C-N 3.32Å; D703-E705 PolarHBondContact O-N 3.2Å; D703-T706 PolarHBondContact N-OG1 2.86Å; D703-T706 VanDerWaalsContact O-CB 3.23Å; D703-T706 WeakPolarHBondContact O-CB 3.5Å; D703-T706 PolarHBondContact O-N 3.41Å; D703-T706 VanDerWaalsContact O-N 3.17Å; D703-T706 PolarHBondContact O-OG1 3.09Å | ||
| 704 | D | 84.1 | Confident | 87.2 | Confident | 88 Ų | 88 | 55 Ų | 55 | 47% | 0.471 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -18 | -178.9 | 82 | -22.6 | 0 | 0 | 0 | 114.8 | T706 G736 I737 | D704-T706 PolarHBondContact O-N 3.33Å; D704-G736 VanDerWaalsContact CB-C 3.49Å; D704-I737 HydrophobicContact CB-CG1 4.08Å |
| 705 | E | 80.4 | Confident | 87 | Confident | 179 Ų | 179 | 53.6 Ų | 53.6 | 84% | 0.836 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -11.1 | 168.3 | -61.9 | -163.3 | 162.3 | 0 | 0 | 113.4 | D703 D707 | D703-E705 VanDerWaalsContact C-N 3.32Å; D703-E705 PolarHBondContact O-N 3.2Å; E705-D707 PolarHBondContact O-N 2.97Å |
| 706 | T | 79.1 | Confident | 86.9 | Confident | 25 Ų | 25 | 57.6 Ų | 57.6 | 15% | 0.153 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -66.8 | 131.4 | -178.3 | -44.4 | 0 | 0 | 0 | 0 | 111.2 | P701 D703 D704 M708 Y766 | P701-T706 HydrophobicContact CB-CG2 4.03Å; D703-T706 PolarHBondContact N-OG1 2.86Å; D703-T706 VanDerWaalsContact O-CB 3.23Å; D703-T706 WeakPolarHBondContact O-CB 3.5Å; D703-T706 PolarHBondContact O-N 3.41Å; D703-T706 VanDerWaalsContact O-N 3.17Å; D703-T706 PolarHBondContact O-OG1 3.09Å; D704-T706 PolarHBondContact O-N 3.33Å; T706-M708 PolarHBondContact O-N 2.7Å; T706-Y766 HydrophobicContact CG2-CD1 4.01Å |
| 707 | D | 84.8 | Confident | 86.7 | Confident | 67 Ų | 67 | 59.1 Ų | 59.1 | 36% | 0.358 | 30% | 0.297 | S | S | . | . | trans | -72.3 | 93.8 | -179.2 | -168.9 | -18.5 | 0 | 0 | 0 | 111.7 | E705 A709 K710 L711 | E705-D707 PolarHBondContact O-N 2.97Å; D707-A709 PolarHBondContact O-N 2.82Å; D707-A709 VanDerWaalsContact O-N 3.11Å; D707-A709 WeakPolarHBondContact OD1-CB 3.48Å; D707-A709 PolarHBondContact OD1-N 3.29Å; D707-A709 VanDerWaalsContact OD1-N 3.1Å; D707-K710 HydrophobicContact CB-CB 4.22Å; D707-K710 HydrophobicContact CB-CD 4.24Å; D707-K710 HydrophobicContact CB-CG 4.12Å; D707-K710 PolarHBondContact O-N 2.96Å; D707-K710 PolarHBondContact OD1-N 3.38Å; D707-K710 IonicContact OD2-NZ 2.82Å; D707-K710 PolarHBondContact OD2-NZ 3.22Å; D707-L711 PolarHBondContact O-N 2.76Å | ||
| 708 | M | 81.3 | Confident | 86.4 | Confident | 30 Ų | 30 | 59.6 Ų | 59.6 | 15% | 0.148 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -56.3 | -26.9 | -179.8 | -58.2 | -54.1 | -64.7 | 0 | 0 | 113.7 | P701 T706 E712 L730 K738 L740 | P701-M708 HydrophobicContact CB-SD 4.23Å; P701-M708 HydrophobicContact CG-CE 4.18Å; P701-M708 HydrophobicContact CG-SD 3.86Å; T706-M708 PolarHBondContact O-N 2.7Å; M708-E712 PolarHBondContact O-N 3.31Å; M708-L730 HydrophobicContact CB-CD1 4.38Å; M708-L730 HydrophobicContact CB-CD2 4.12Å; M708-L730 HydrophobicContact CE-CD2 3.63Å; M708-L730 HydrophobicContact CG-CD2 4.42Å; M708-K738 HydrophobicContact CE-CB 4.44Å; M708-K738 WeakPolarHBondContact CE-O 3.25Å; M708-L740 HydrophobicContact CE-CB 4.07Å |
| 709 | A | 85.8 | Confident | 85.9 | Confident | 65 Ų | 65 | 67.8 Ų | 67.8 | 54% | 0.537 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -75.1 | -38.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | D707 E712 E713 | D707-A709 PolarHBondContact O-N 2.82Å; D707-A709 VanDerWaalsContact O-N 3.11Å; D707-A709 WeakPolarHBondContact OD1-CB 3.48Å; D707-A709 PolarHBondContact OD1-N 3.29Å; D707-A709 VanDerWaalsContact OD1-N 3.1Å; A709-E712 PolarHBondContact O-N 2.83Å; A709-E713 WeakPolarHBondContact O-CB 3.46Å; A709-E713 PolarHBondContact O-N 3.48Å |
| 710 | K | 86.3 | Confident | 85.5 | Confident | 96 Ų | 96 | 69.3 Ų | 69.3 | 42% | 0.417 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -67.2 | -40 | 172.2 | -67.7 | -171.2 | -171.7 | 93.2 | 0 | 111.9 | D707 E712 E713 C714 | D707-K710 HydrophobicContact CB-CB 4.22Å; D707-K710 HydrophobicContact CB-CD 4.24Å; D707-K710 HydrophobicContact CB-CG 4.12Å; D707-K710 PolarHBondContact O-N 2.96Å; D707-K710 PolarHBondContact OD1-N 3.38Å; D707-K710 IonicContact OD2-NZ 2.82Å; D707-K710 PolarHBondContact OD2-NZ 3.22Å; K710-E712 VanDerWaalsContact C-N 3.32Å; K710-E712 PolarHBondContact O-N 2.87Å; K710-E713 PolarHBondContact O-N 3.3Å; K710-C714 WeakPolarHBondContact O-CB 3.49Å; K710-C714 PolarHBondContact O-N 2.78Å; K710-C714 PolarHBondContact O-SG 2.87Å |
| 711 | L | 86.1 | Confident | 85 | Confident | 2 Ų | 2 | 71.5 Ų | 71.5 | 1% | 0.01 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -60.9 | -43.2 | 175.8 | -170.2 | 159.2 | 0 | 0 | 0 | 110.5 | V699 P701 D707 V715 L740 Y766 V767 | V699-L711 HydrophobicContact CB-CD2 4.12Å; V699-L711 HydrophobicContact CG1-CD1 4.42Å; V699-L711 HydrophobicContact CG1-CD2 3.81Å; V699-L711 HydrophobicContact CG1-CG 4.49Å; P701-L711 HydrophobicContact CB-CD1 3.97Å; D707-L711 PolarHBondContact O-N 2.76Å; L711-V715 HydrophobicContact CD2-CG2 4.39Å; L711-V715 WeakPolarHBondContact O-CG2 3.3Å; L711-V715 PolarHBondContact O-N 3.12Å; L711-V715 VanDerWaalsContact O-N 3.09Å; L711-L740 HydrophobicContact CD2-CB 3.92Å; L711-L740 HydrophobicContact CD2-CD2 3.39Å; L711-L740 HydrophobicContact CD2-CG 4.28Å; L711-Y766 WeakPolarHBondContact CD1-O 3.42Å; L711-V767 HydrophobicContact CD1-CG2 4.37Å; L711-V767 HydrophobicContact CG-CG2 4.44Å |
| 712 | E | 87.8 | Confident | 84.6 | Confident | 46 Ų | 46 | 72.1 Ų | 72.1 | 22% | 0.215 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63.4 | -41.9 | 171.8 | -177.4 | 175 | 172.8 | 0 | 0 | 112.8 | M708 A709 K710 V715 R716 S728 L740 | M708-E712 PolarHBondContact O-N 3.31Å; A709-E712 PolarHBondContact O-N 2.83Å; K710-E712 VanDerWaalsContact C-N 3.32Å; K710-E712 PolarHBondContact O-N 2.87Å; E712-V715 PolarHBondContact O-N 3.01Å; E712-R716 HydrophobicContact CG-CG 4.32Å; E712-R716 WeakPolarHBondContact O-CB 3.26Å; E712-R716 VanDerWaalsContact O-CG 3.31Å; E712-R716 WeakPolarHBondContact O-CG 3.26Å; E712-R716 PolarHBondContact O-N 3.46Å; E712-R716 IonicContact OE1-CZ 3.72Å; E712-R716 IonicContact OE1-NE 3.09Å; E712-R716 PolarHBondContact OE1-NE 3.35Å; E712-R716 IonicContact OE1-NH2 3.4Å; E712-R716 PolarHBondContact OE1-NH2 2.72Å; E712-S728 WeakPolarHBondContact OE1-CB 3.38Å; E712-S728 PolarHBondContact OE1-OG 2.93Å; E712-S728 PolarHBondContact OE2-OG 2.81Å; E712-L740 HydrophobicContact CB-CD1 4.35Å; E712-L740 HydrophobicContact CB-CD2 3.93Å; E712-L740 HydrophobicContact CG-CD2 4.41Å |
| 713 | E | 88.6 | Confident | 84.7 | Confident | 140 Ų | 140 | 66.4 Ų | 66.4 | 65% | 0.654 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -63.5 | -43.8 | 177.9 | -172.1 | 171.6 | -166.5 | 0 | 0 | 112 | A709 K710 R716 S717 | A709-E713 WeakPolarHBondContact O-CB 3.46Å; A709-E713 PolarHBondContact O-N 3.48Å; K710-E713 PolarHBondContact O-N 3.3Å; E713-R716 CarbonylContact O-C 3.53Å; E713-R716 PolarHBondContact O-N 2.85Å; E713-S717 WeakPolarHBondContact O-CB 3.35Å; E713-S717 PolarHBondContact O-N 3.47Å |
| 714 | C | 85.4 | Confident | 84.8 | Confident | 31 Ų | 31 | 67.9 Ų | 67.9 | 21% | 0.209 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -59 | -49.5 | 174.1 | -69.9 | 0 | 0 | 0 | 0 | 111.4 | K710 R716 S717 F763 | K710-C714 WeakPolarHBondContact O-CB 3.49Å; K710-C714 PolarHBondContact O-N 2.78Å; K710-C714 PolarHBondContact O-SG 2.87Å; C714-R716 PolarHBondContact O-N 3.09Å; C714-S717 WeakPolarHBondContact O-CB 2.98Å; C714-S717 PolarHBondContact O-N 2.98Å; C714-S717 VanDerWaalsContact O-N 3.11Å; C714-S717 PolarHBondContact O-OG 3.07Å; C714-F763 HydrophobicContact CB-CD1 4.06Å; C714-F763 HydrophobicContact CB-CD2 4.31Å; C714-F763 HydrophobicContact CB-CE1 3.96Å; C714-F763 HydrophobicContact CB-CE2 4.22Å; C714-F763 HydrophobicContact CB-CG 4.23Å; C714-F763 HydrophobicContact CB-CZ 4.05Å |
| 715 | V | 87.1 | Confident | 85.1 | Confident | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.006 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.4 | -42.1 | 177.7 | 177.2 | 0 | 0 | 0 | 0 | 111.2 | V699 L711 E712 S717 V718 W725 I742 I760 | V699-V715 HydrophobicContact CG2-CG2 4.47Å; L711-V715 HydrophobicContact CD2-CG2 4.39Å; L711-V715 WeakPolarHBondContact O-CG2 3.3Å; L711-V715 PolarHBondContact O-N 3.12Å; L711-V715 VanDerWaalsContact O-N 3.09Å; E712-V715 PolarHBondContact O-N 3.01Å; V715-S717 VanDerWaalsContact C-N 3.27Å; V715-S717 PolarHBondContact O-N 3.06Å; V715-V718 WeakPolarHBondContact O-CB 3.48Å; V715-V718 PolarHBondContact O-N 2.88Å; V715-W725 HydrophobicContact CG1-CE3 4.28Å; V715-W725 HydrophobicContact CG1-CH2 3.52Å; V715-W725 HydrophobicContact CG1-CZ2 3.9Å; V715-W725 HydrophobicContact CG1-CZ3 3.71Å; V715-W725 WeakPolarHBondContact O-CZ2 3.31Å; V715-W725 PolarHBondContact O-NE1 3.35Å; V715-I742 HydrophobicContact CG1-CD1 4.01Å; V715-I742 HydrophobicContact CG1-CG2 4.22Å; V715-I760 HydrophobicContact CG1-CD1 4.31Å; V715-I760 HydrophobicContact CG1-CG1 4.36Å; V715-I760 HydrophobicContact CG2-CG1 4.46Å; V715-I760 HydrophobicContact CG2-CG2 4.08Å |
| 716 | R | 87.9 | Confident | 85.5 | Confident | 86 Ų | 86 | 59 Ų | 59 | 33% | 0.325 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -69.4 | -20.4 | 175.7 | -72.5 | -175 | -176 | -67.9 | -3.9 | 114 | E712 E713 C714 V718 G726 S728 I742 | E712-R716 HydrophobicContact CG-CG 4.32Å; E712-R716 WeakPolarHBondContact O-CB 3.26Å; E712-R716 VanDerWaalsContact O-CG 3.31Å; E712-R716 WeakPolarHBondContact O-CG 3.26Å; E712-R716 PolarHBondContact O-N 3.46Å; E712-R716 IonicContact OE1-CZ 3.72Å; E712-R716 IonicContact OE1-NE 3.09Å; E712-R716 PolarHBondContact OE1-NE 3.35Å; E712-R716 IonicContact OE1-NH2 3.4Å; E712-R716 PolarHBondContact OE1-NH2 2.72Å; E713-R716 CarbonylContact O-C 3.53Å; E713-R716 PolarHBondContact O-N 2.85Å; C714-R716 PolarHBondContact O-N 3.09Å; R716-V718 VanDerWaalsContact C-N 3.3Å; R716-G726 PolarHBondContact NH1-O 3.5Å; R716-G726 PolarHBondContact NH2-O 2.95Å; R716-S728 PolarHBondContact NH2-OG 2.85Å; R716-S728 VanDerWaalsContact NH2-OG 3.07Å; R716-I742 HydrophobicContact CG-CD1 4.34Å |
| 717 | S | 88.2 | Confident | 86 | Confident | 74 Ų | 74 | 63.2 Ų | 63.2 | 52% | 0.517 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -73.6 | -22.8 | 178.3 | 79.2 | 0 | 0 | 0 | 0 | 112.8 | E713 C714 V715 Q719 | E713-S717 WeakPolarHBondContact O-CB 3.35Å; E713-S717 PolarHBondContact O-N 3.47Å; C714-S717 WeakPolarHBondContact O-CB 2.98Å; C714-S717 PolarHBondContact O-N 2.98Å; C714-S717 VanDerWaalsContact O-N 3.11Å; C714-S717 PolarHBondContact O-OG 3.07Å; V715-S717 VanDerWaalsContact C-N 3.27Å; V715-S717 PolarHBondContact O-N 3.06Å; S717-Q719 PolarHBondContact O-N 2.94Å; S717-Q719 VanDerWaalsContact O-N 3.15Å |
| 718 | V | 86.1 | Confident | 86.3 | Confident | 13 Ų | 13 | 61.8 Ų | 61.8 | 8% | 0.079 | 34% | 0.342 | C | S | . | . | trans | -62.7 | 112.6 | 173 | 175.9 | 0 | 0 | 0 | 0 | 109.5 | V715 R716 L723 W725 E759 F763 | V715-V718 WeakPolarHBondContact O-CB 3.48Å; V715-V718 PolarHBondContact O-N 2.88Å; R716-V718 VanDerWaalsContact C-N 3.3Å; V718-L723 HydrophobicContact CG1-CD2 4.05Å; V718-W725 HydrophobicContact CB-CZ2 4.09Å; V718-W725 HydrophobicContact CG1-CZ2 4.35Å; V718-W725 PolarHBondContact O-NE1 3.23Å; V718-E759 HydrophobicContact CB-CG 4.28Å; V718-E759 HydrophobicContact CG1-CB 4.11Å; V718-E759 HydrophobicContact CG1-CG 3.75Å; V718-E759 HydrophobicContact CG2-CB 4.24Å; V718-E759 HydrophobicContact CG2-CG 3.58Å; V718-F763 HydrophobicContact CG2-CE2 4.05Å | ||
| 719 | Q | 82.3 | Confident | 86.8 | Confident | 185 Ų | 185 | 65.4 Ų | 65.4 | 86% | 0.864 | 36% | 0.357 | S | S | * | . | trans | -113.3 | 124.3 | 173.7 | -71.8 | -174.1 | 4.1 | 0 | 0 | 110.2 | S717 | S717-Q719 PolarHBondContact O-N 2.94Å; S717-Q719 VanDerWaalsContact O-N 3.15Å | ||
| 720 | A | 81.3 | Confident | 86.9 | Confident | 32 Ų | 32 | 66.3 Ų | 66.3 | 26% | 0.264 | 35% | 0.352 | S | S | . | . | trans | -131.9 | 149.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | G722 L723 V751 | A720-G722 PolarHBondContact O-N 3.12Å; A720-L723 HydrophobicContact CB-CB 3.97Å; A720-L723 HydrophobicContact CB-CD2 4.19Å; A720-L723 WeakPolarHBondContact O-CB 3.27Å; A720-L723 PolarHBondContact O-N 3.2Å; A720-L723 VanDerWaalsContact O-N 3.09Å; A720-V751 HydrophobicContact CB-CG2 4.07Å | ||
| 721 | D | 81.1 | Confident | 87 | Confident | 119 Ų | 119 | 63.8 Ų | 63.8 | 64% | 0.636 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | 116.7 | 178 | 177.4 | 31.4 | 0 | 0 | 0 | 110.5 | K750 V751 | D721-K750 VanDerWaalsContact CG-NZ 3.26Å; D721-K750 IonicContact OD1-NZ 2.76Å; D721-K750 PolarHBondContact OD1-NZ 3.28Å; D721-K750 VanDerWaalsContact OD1-NZ 3.14Å; D721-K750 WeakPolarHBondContact OD2-CD 3.32Å; D721-K750 WeakPolarHBondContact OD2-CE 2.97Å; D721-K750 IonicContact OD2-NZ 2.64Å; D721-K750 PolarHBondContact OD2-NZ 3.43Å; D721-V751 WeakPolarHBondContact O-CG2 2.97Å |
| 722 | G | 81.9 | Confident | 87.2 | Confident | 15 Ų | 15 | 68.6 Ų | 68.6 | 16% | 0.155 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 97.5 | -2.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | A720 V746 E747 | A720-G722 PolarHBondContact O-N 3.12Å; G722-V746 CarbonylContact O-C 3.58Å; G722-V746 WeakPolarHBondContact O-CA 3.4Å; G722-E747 PolarHBondContact O-N 3.26Å; G722-E747 VanDerWaalsContact O-N 3.11Å |
| 723 | L | 87.3 | Confident | 87 | Confident | 18 Ų | 18 | 70.8 Ų | 70.8 | 9% | 0.094 | 39% | 0.393 | C | S | . | . | trans | -92.5 | 125.7 | 174.4 | 176.5 | 64.3 | 0 | 0 | 0 | 111.7 | V718 A720 W725 C744 V746 V751 L756 | V718-L723 HydrophobicContact CG1-CD2 4.05Å; A720-L723 HydrophobicContact CB-CB 3.97Å; A720-L723 HydrophobicContact CB-CD2 4.19Å; A720-L723 WeakPolarHBondContact O-CB 3.27Å; A720-L723 PolarHBondContact O-N 3.2Å; A720-L723 VanDerWaalsContact O-N 3.09Å; L723-W725 HydrophobicContact CD1-CZ2 4.36Å; L723-W725 HydrophobicContact CD2-CZ2 3.73Å; L723-W725 HydrophobicContact CG-CZ2 4.42Å; L723-C744 HydrophobicContact CD1-CB 3.86Å; L723-V746 HydrophobicContact CD1-CG1 3.82Å; L723-V751 HydrophobicContact CB-CG2 4.41Å; L723-L756 HydrophobicContact CD1-CD1 3.93Å; L723-L756 HydrophobicContact CD1-CD2 3.81Å; L723-L756 HydrophobicContact CD2-CD2 3.6Å; L723-L756 HydrophobicContact CG-CD2 4.28Å | ||
| 724 | L | 87.7 | Confident | 86.6 | Confident | 113 Ų | 113 | 65.6 Ų | 65.6 | 59% | 0.592 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 112.3 | 173.7 | -64.9 | 174.4 | 0 | 0 | 0 | 110.6 | G726 C744 V745 | L724-G726 PolarHBondContact O-N 2.78Å; L724-C744 CarbonylContact O-C 3.57Å; L724-C744 VanDerWaalsContact O-CA 3.32Å; L724-C744 WeakPolarHBondContact O-CA 3.21Å; L724-V745 HydrophobicContact CB-CB 4.3Å; L724-V745 PolarHBondContact N-O 2.98Å; L724-V745 PolarHBondContact O-N 3.08Å |
| 725 | W | 91.1 | Very high | 86.4 | Confident | 50 Ų | 50 | 75 Ų | 75 | 19% | 0.189 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 124.8 | 173 | -67.6 | 114.8 | 0 | 0 | 0 | 111.8 | L697 V715 V718 L723 I742 C744 I760 | L697-W725 HydrophobicContact CD1-CZ3 4.45Å; V715-W725 HydrophobicContact CG1-CE3 4.28Å; V715-W725 HydrophobicContact CG1-CH2 3.52Å; V715-W725 HydrophobicContact CG1-CZ2 3.9Å; V715-W725 HydrophobicContact CG1-CZ3 3.71Å; V715-W725 WeakPolarHBondContact O-CZ2 3.31Å; V715-W725 PolarHBondContact O-NE1 3.35Å; V718-W725 HydrophobicContact CB-CZ2 4.09Å; V718-W725 HydrophobicContact CG1-CZ2 4.35Å; V718-W725 PolarHBondContact O-NE1 3.23Å; L723-W725 HydrophobicContact CD1-CZ2 4.36Å; L723-W725 HydrophobicContact CD2-CZ2 3.73Å; L723-W725 HydrophobicContact CG-CZ2 4.42Å; W725-I742 HydrophobicContact CD2-CD1 4.37Å; W725-I742 HydrophobicContact CE3-CD1 3.64Å; W725-I742 HydrophobicContact CE3-CG1 4.01Å; W725-I742 HydrophobicContact CZ3-CD1 4.1Å; W725-I742 HydrophobicContact CZ3-CG1 4.35Å; W725-I742 HydrophobicContact CZ3-CG2 4.14Å; W725-C744 HydrophobicContact CE3-CB 3.72Å; W725-C744 HydrophobicContact CH2-CB 4.48Å; W725-C744 HydrophobicContact CZ3-CB 3.69Å; W725-I760 HydrophobicContact CH2-CD1 4.16Å |
| 726 | G | 88.9 | Confident | 86.2 | Confident | 31 Ų | 31 | 77.2 Ų | 77.2 | 32% | 0.32 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | -147.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | R716 L724 A743 | R716-G726 PolarHBondContact NH1-O 3.5Å; R716-G726 PolarHBondContact NH2-O 2.95Å; L724-G726 PolarHBondContact O-N 2.78Å; G726-A743 WeakPolarHBondContact CA-O 3.31Å; G726-A743 PolarHBondContact N-O 2.88Å |
| 727 | T | 89.4 | Confident | 86.1 | Confident | 113 Ų | 113 | 75.1 Ų | 75.1 | 69% | 0.693 | 43% | 0.428 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 136.3 | 180 | 49.7 | 0 | 0 | 0 | 0 | 111.7 | A743 | T727-A743 PolarHBondContact O-N 3.33Å |
| 728 | S | 91.7 | Very high | 86.1 | Confident | 37 Ų | 37 | 76.4 Ų | 76.4 | 26% | 0.259 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 148 | 167.4 | 48.6 | 0 | 0 | 0 | 0 | 110 | E712 R716 Q741 | E712-S728 WeakPolarHBondContact OE1-CB 3.38Å; E712-S728 PolarHBondContact OE1-OG 2.93Å; E712-S728 PolarHBondContact OE2-OG 2.81Å; R716-S728 PolarHBondContact NH2-OG 2.85Å; R716-S728 VanDerWaalsContact NH2-OG 3.07Å; S728-Q741 CarbonylContact C-O 3.57Å; S728-Q741 WeakPolarHBondContact CA-O 3.5Å |
| 729 | K | 90.1 | Very high | 86.4 | Confident | 106 Ų | 106 | 78.6 Ų | 78.6 | 46% | 0.461 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 135.7 | 168 | 41 | 163 | 162.7 | 157.2 | 0 | 109.9 | V731 Q741 | K729-V731 HydrophobicContact CD-CG2 4.36Å; K729-Q741 HydrophobicContact CD-CG 4.37Å; K729-Q741 HydrophobicContact CG-CB 4.07Å; K729-Q741 HydrophobicContact CG-CG 4.21Å; K729-Q741 WeakPolarHBondContact CG-O 3.5Å; K729-Q741 PolarHBondContact N-O 3.09Å; K729-Q741 PolarHBondContact O-N 3.3Å |
| 730 | L | 89.6 | Confident | 86.8 | Confident | 84 Ų | 84 | 69.8 Ų | 69.8 | 44% | 0.44 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 116 | 174.2 | -62.7 | 175.9 | 0 | 0 | 0 | 109.2 | M708 L740 | M708-L730 HydrophobicContact CB-CD1 4.38Å; M708-L730 HydrophobicContact CB-CD2 4.12Å; M708-L730 HydrophobicContact CE-CD2 3.63Å; M708-L730 HydrophobicContact CG-CD2 4.42Å; L730-L740 HydrophobicContact CD2-CB 4.26Å; L730-L740 HydrophobicContact CD2-CD1 3.69Å |
| 731 | V | 88.6 | Confident | 87.3 | Confident | 44 Ų | 44 | 69.3 Ų | 69.3 | 27% | 0.267 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 117.8 | 178.7 | -178.4 | 0 | 0 | 0 | 0 | 108.8 | K729 V733 K738 K739 Q741 | K729-V731 HydrophobicContact CD-CG2 4.36Å; V731-V733 PolarHBondContact O-N 2.99Å; V731-K738 CarbonylContact O-C 3.57Å; V731-K738 WeakPolarHBondContact O-CA 3.4Å; V731-K739 HydrophobicContact CB-CG 3.95Å; V731-K739 PolarHBondContact N-O 3.33Å; V731-K739 PolarHBondContact O-N 2.82Å; V731-Q741 HydrophobicContact CG2-CB 4.19Å |
| 732 | P | 89 | Confident | 87.9 | Confident | 102 Ų | 102 | 63.6 Ų | 63.6 | 66% | 0.662 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 128.6 | 175.8 | 28.5 | -32.9 | 0 | 0 | 0 | 110.2 | K738 | P732-K738 HydrophobicContact CB-CG 4.37Å |
| 733 | V | 83.8 | Confident | 88.4 | Confident | 92 Ų | 92 | 63.5 Ų | 63.5 | 56% | 0.558 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.6 | -34 | 178.5 | -173.5 | 0 | 0 | 0 | 0 | 110.8 | V731 I737 K739 | V731-V733 PolarHBondContact O-N 2.99Å; V733-I737 PolarHBondContact N-O 2.79Å; V733-K739 HydrophobicContact CG2-CB 3.96Å; V733-K739 HydrophobicContact CG2-CD 3.71Å; V733-K739 HydrophobicContact CG2-CG 3.6Å |
| 734 | G | 81.2 | Confident | 88.5 | Confident | 32 Ų | 32 | 62.7 Ų | 62.7 | 33% | 0.33 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 147.7 | 166.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | G736 I737 | G734-G736 VanDerWaalsContact C-N 3.3Å; G734-G736 PolarHBondContact O-N 2.98Å; G734-I737 PolarHBondContact N-O 2.97Å; G734-I737 WeakPolarHBondContact O-CB 3.44Å; G734-I737 PolarHBondContact O-N 2.64Å |
| 735 | Y | 80.8 | Confident | 88.6 | Confident | 228 Ų | 228 | 59.1 Ų | 59.1 | 89% | 0.894 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 41.6 | 173.3 | -56.2 | -83.5 | 0 | 0 | 0 | 114.9 | I737 | Y735-I737 PolarHBondContact O-N 3.02Š|
| 736 | G | 81.6 | Confident | 88.6 | Confident | 48 Ų | 48 | 56.8 Ų | 56.8 | 50% | 0.495 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.2 | -35.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | D704 G734 K738 | D704-G736 VanDerWaalsContact CB-C 3.49Å; G734-G736 VanDerWaalsContact C-N 3.3Å; G734-G736 PolarHBondContact O-N 2.98Å; G736-K738 PolarHBondContact O-N 2.84Å |
| 737 | I | 87.7 | Confident | 88.5 | Confident | 42 Ų | 42 | 56.7 Ų | 56.7 | 22% | 0.215 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 126.4 | -177.2 | -52.3 | 173.9 | 0 | 0 | 0 | 111.4 | P701 D704 V733 G734 Y735 | P701-I737 HydrophobicContact CG-CG2 4.17Å; D704-I737 HydrophobicContact CB-CG1 4.08Å; V733-I737 PolarHBondContact N-O 2.79Å; G734-I737 PolarHBondContact N-O 2.97Å; G734-I737 WeakPolarHBondContact O-CB 3.44Å; G734-I737 PolarHBondContact O-N 2.64Å; Y735-I737 PolarHBondContact O-N 3.02Å |
| 738 | K | 87.6 | Confident | 88.3 | Confident | 100 Ų | 100 | 53.6 Ų | 53.6 | 44% | 0.435 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 135.4 | 172.5 | -63.1 | 163.7 | -169.3 | 162.2 | 0 | 108.2 | P701 M708 V731 P732 G736 | P701-K738 VanDerWaalsContact CD-O 3.27Å; P701-K738 WeakPolarHBondContact CD-O 3.5Å; P701-K738 VanDerWaalsContact CG-O 3.28Å; P701-K738 WeakPolarHBondContact CG-O 3.25Å; M708-K738 HydrophobicContact CE-CB 4.44Å; M708-K738 WeakPolarHBondContact CE-O 3.25Å; V731-K738 CarbonylContact O-C 3.57Å; V731-K738 WeakPolarHBondContact O-CA 3.4Å; P732-K738 HydrophobicContact CB-CG 4.37Å; G736-K738 PolarHBondContact O-N 2.84Å |
| 739 | K | 91.4 | Very high | 87.8 | Confident | 59 Ų | 59 | 57.8 Ų | 57.8 | 26% | 0.257 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 142.6 | 166.9 | 61.5 | -176.7 | 176 | 170.4 | 0 | 109.9 | D698 V731 V733 | D698-K739 HydrophobicContact CB-CD 4.24Å; D698-K739 WeakPolarHBondContact OD2-CD 3.25Å; D698-K739 WeakPolarHBondContact OD2-CE 3.31Å; D698-K739 IonicContact OD2-NZ 3.22Å; D698-K739 PolarHBondContact OD2-NZ 2.96Å; V731-K739 HydrophobicContact CB-CG 3.95Å; V731-K739 PolarHBondContact N-O 3.33Å; V731-K739 PolarHBondContact O-N 2.82Å; V733-K739 HydrophobicContact CG2-CB 3.96Å; V733-K739 HydrophobicContact CG2-CD 3.71Å; V733-K739 HydrophobicContact CG2-CG 3.6Å |
| 740 | L | 91.5 | Very high | 87.3 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 113 | 170 | 177.6 | 70.7 | 0 | 0 | 0 | 107.8 | V699 M708 L711 E712 L730 | V699-L740 HydrophobicContact CB-CB 4.42Å; V699-L740 PolarHBondContact N-O 2.92Å; V699-L740 PolarHBondContact O-N 3.22Å; M708-L740 HydrophobicContact CE-CB 4.07Å; L711-L740 HydrophobicContact CD2-CB 3.92Å; L711-L740 HydrophobicContact CD2-CD2 3.39Å; L711-L740 HydrophobicContact CD2-CG 4.28Å; E712-L740 HydrophobicContact CB-CD1 4.35Å; E712-L740 HydrophobicContact CB-CD2 3.93Å; E712-L740 HydrophobicContact CG-CD2 4.41Å; L730-L740 HydrophobicContact CD2-CB 4.26Å; L730-L740 HydrophobicContact CD2-CD1 3.69Å |
| 741 | Q | 92.1 | Very high | 86.7 | Confident | 22 Ų | 22 | 53.8 Ų | 53.8 | 10% | 0.103 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 112.1 | 172.3 | 175.5 | 163.5 | 60.2 | 0 | 0 | 108.7 | L697 D698 S728 K729 V731 | L697-Q741 CarbonylContact O-C 3.59Å; L697-Q741 WeakPolarHBondContact O-CA 3.47Å; D698-Q741 WeakPolarHBondContact OD1-CB 2.99Å; D698-Q741 WeakPolarHBondContact OD1-CG 3.25Å; D698-Q741 PolarHBondContact OD1-NE2 2.9Å; S728-Q741 CarbonylContact C-O 3.57Å; S728-Q741 WeakPolarHBondContact CA-O 3.5Å; K729-Q741 HydrophobicContact CD-CG 4.37Å; K729-Q741 HydrophobicContact CG-CB 4.07Å; K729-Q741 HydrophobicContact CG-CG 4.21Å; K729-Q741 WeakPolarHBondContact CG-O 3.5Å; K729-Q741 PolarHBondContact N-O 3.09Å; K729-Q741 PolarHBondContact O-N 3.3Å; V731-Q741 HydrophobicContact CG2-CB 4.19Å |
| 742 | I | 92.9 | Very high | 86.3 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 135.2 | -176.5 | -169.3 | 166.1 | 0 | 0 | 0 | 110.9 | L697 V715 R716 W725 | L697-I742 HydrophobicContact CB-CG2 4.1Å; L697-I742 PolarHBondContact N-O 2.85Å; L697-I742 PolarHBondContact O-N 3.25Å; V715-I742 HydrophobicContact CG1-CD1 4.01Å; V715-I742 HydrophobicContact CG1-CG2 4.22Å; R716-I742 HydrophobicContact CG-CD1 4.34Å; W725-I742 HydrophobicContact CD2-CD1 4.37Å; W725-I742 HydrophobicContact CE3-CD1 3.64Å; W725-I742 HydrophobicContact CE3-CG1 4.01Å; W725-I742 HydrophobicContact CZ3-CD1 4.1Å; W725-I742 HydrophobicContact CZ3-CG1 4.35Å; W725-I742 HydrophobicContact CZ3-CG2 4.14Å |
| 743 | A | 92.6 | Very high | 85.9 | Confident | 13 Ų | 13 | 51 Ų | 51 | 11% | 0.107 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 139 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | I695 L696 G726 T727 | I695-A743 CarbonylContact O-C 3.6Å; I695-A743 WeakPolarHBondContact O-CA 3.48Å; L696-A743 HydrophobicContact CD2-CB 3.66Å; G726-A743 WeakPolarHBondContact CA-O 3.31Å; G726-A743 PolarHBondContact N-O 2.88Å; T727-A743 PolarHBondContact O-N 3.33Å |
| 744 | C | 90.2 | Very high | 86 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 155.2 | 160.3 | 59.4 | 0 | 0 | 0 | 0 | 110.3 | S694 I695 L723 L724 W725 | S694-C744 CarbonylContact C-O 3.58Å; S694-C744 WeakPolarHBondContact CA-O 3.36Å; I695-C744 PolarHBondContact N-O 3.34Å; I695-C744 PolarHBondContact O-N 3.28Å; L723-C744 HydrophobicContact CD1-CB 3.86Å; L724-C744 CarbonylContact O-C 3.57Å; L724-C744 VanDerWaalsContact O-CA 3.32Å; L724-C744 WeakPolarHBondContact O-CA 3.21Å; W725-C744 HydrophobicContact CE3-CB 3.72Å; W725-C744 HydrophobicContact CH2-CB 4.48Å; W725-C744 HydrophobicContact CZ3-CB 3.69Å |
| 745 | V | 90.1 | Very high | 86.3 | Confident | 38 Ų | 38 | 53.9 Ų | 53.9 | 23% | 0.23 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 121.5 | 168.1 | 175.9 | 0 | 0 | 0 | 0 | 107.1 | K692 S693 L724 I778 | K692-V745 HydrophobicContact CB-CG1 4.46Å; S693-V745 CarbonylContact O-C 3.53Å; S693-V745 WeakPolarHBondContact O-CA 3.44Å; L724-V745 HydrophobicContact CB-CB 4.3Å; L724-V745 PolarHBondContact N-O 2.98Å; L724-V745 PolarHBondContact O-N 3.08Å; V745-I778 HydrophobicContact CG1-CD1 3.81Å; V745-I778 HydrophobicContact CG2-CD1 4.41Å |
| 746 | V | 90.3 | Very high | 86.5 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.006 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 153.6 | 177.3 | -65.3 | 0 | 0 | 0 | 0 | 111.3 | K692 S693 I695 G722 L723 V751 L756 | K692-V746 WeakPolarHBondContact CA-O 3.45Å; K692-V746 WeakPolarHBondContact CB-O 3.08Å; S693-V746 PolarHBondContact N-O 2.9Å; S693-V746 PolarHBondContact O-N 3.47Å; S693-V746 WeakPolarHBondContact OG-CG2 3.38Å; I695-V746 HydrophobicContact CD1-CG2 3.87Å; I695-V746 HydrophobicContact CG1-CG2 4.4Å; G722-V746 CarbonylContact O-C 3.58Å; G722-V746 WeakPolarHBondContact O-CA 3.4Å; L723-V746 HydrophobicContact CD1-CG1 3.82Å; V746-V751 HydrophobicContact CB-CB 4.17Å; V746-V751 HydrophobicContact CB-CG1 4.43Å; V746-V751 HydrophobicContact CG1-CB 4.13Å; V746-V751 HydrophobicContact CG1-CG1 3.86Å; V746-L756 HydrophobicContact CG1-CD1 3.66Å |
| 747 | E | 87.3 | Confident | 86.7 | Confident | 29 Ų | 29 | 44.2 Ų | 44.2 | 14% | 0.136 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 109.7 | 162.2 | -63.4 | -172.3 | 158.6 | 0 | 0 | 107.7 | I690 K692 G722 D749 K750 V751 | I690-E747 HydrophobicContact CG2-CB 3.7Å; I690-E747 HydrophobicContact CG2-CG 3.72Å; K692-E747 HydrophobicContact CG-CG 4.15Å; K692-E747 IonicContact NZ-OE1 2.63Å; K692-E747 PolarHBondContact NZ-OE1 3.46Å; G722-E747 PolarHBondContact O-N 3.26Å; G722-E747 VanDerWaalsContact O-N 3.11Å; E747-D749 PolarHBondContact O-N 2.97Å; E747-D749 VanDerWaalsContact O-N 3.1Å; E747-K750 HydrophobicContact CB-CB 4.46Å; E747-K750 PolarHBondContact O-N 3.28Å; E747-K750 WeakPolarHBondContact OE2-CE 3.34Å; E747-K750 IonicContact OE2-NZ 3.14Å; E747-K750 PolarHBondContact OE2-NZ 2.99Å; E747-V751 PolarHBondContact O-N 2.86Å |
| 748 | D | 83.9 | Confident | 86.7 | Confident | 49 Ų | 49 | 47.3 Ų | 47.3 | 26% | 0.262 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -32.5 | -171.2 | -63.8 | -7 | 0 | 0 | 0 | 111.7 | A691 S693 K750 K777 | A691-D748 HydrophobicContact CB-CB 4.17Å; A691-D748 PolarHBondContact O-N 2.96Å; S693-D748 VanDerWaalsContact CB-OD1 3.28Å; S693-D748 WeakPolarHBondContact CB-OD1 3.49Å; S693-D748 PolarHBondContact N-OD1 3.3Å; S693-D748 PolarHBondContact OG-OD1 3.47Å; D748-K750 VanDerWaalsContact C-N 3.25Å; D748-K750 PolarHBondContact O-N 3.45Å; D748-K777 IonicContact OD2-NZ 2.63Å; D748-K777 PolarHBondContact OD2-NZ 2.98Å |
| 749 | D | 81.9 | Confident | 86.7 | Confident | 124 Ų | 124 | 45.9 Ų | 45.9 | 66% | 0.663 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -8.9 | -179.5 | -59.4 | -41.3 | 0 | 0 | 0 | 114.2 | E747 | E747-D749 PolarHBondContact O-N 2.97Å; E747-D749 VanDerWaalsContact O-N 3.1Å |
| 750 | K | 78.6 | Confident | 86.4 | Confident | 104 Ų | 104 | 43.1 Ų | 43.1 | 45% | 0.452 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -128.5 | -39 | -173.9 | -67.6 | -174.1 | 178.7 | -179.4 | 0 | 114.7 | D721 E747 D748 | D721-K750 VanDerWaalsContact CG-NZ 3.26Å; D721-K750 IonicContact OD1-NZ 2.76Å; D721-K750 PolarHBondContact OD1-NZ 3.28Å; D721-K750 VanDerWaalsContact OD1-NZ 3.14Å; D721-K750 WeakPolarHBondContact OD2-CD 3.32Å; D721-K750 WeakPolarHBondContact OD2-CE 2.97Å; D721-K750 IonicContact OD2-NZ 2.64Å; D721-K750 PolarHBondContact OD2-NZ 3.43Å; E747-K750 HydrophobicContact CB-CB 4.46Å; E747-K750 PolarHBondContact O-N 3.28Å; E747-K750 WeakPolarHBondContact OE2-CE 3.34Å; E747-K750 IonicContact OE2-NZ 3.14Å; E747-K750 PolarHBondContact OE2-NZ 2.99Å; D748-K750 VanDerWaalsContact C-N 3.25Å; D748-K750 PolarHBondContact O-N 3.45Å |
| 751 | V | 78.8 | Confident | 86.1 | Confident | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.018 | 25% | 0.248 | C | C | . | . | trans | -120.7 | 101 | -174.9 | -175.6 | 0 | 0 | 0 | 0 | 108.2 | A720 D721 L723 V746 E747 L756 | A720-V751 HydrophobicContact CB-CG2 4.07Å; D721-V751 WeakPolarHBondContact O-CG2 2.97Å; L723-V751 HydrophobicContact CB-CG2 4.41Å; V746-V751 HydrophobicContact CB-CB 4.17Å; V746-V751 HydrophobicContact CB-CG1 4.43Å; V746-V751 HydrophobicContact CG1-CB 4.13Å; V746-V751 HydrophobicContact CG1-CG1 3.86Å; E747-V751 PolarHBondContact O-N 2.86Å; V751-L756 HydrophobicContact CG1-CD1 4.38Å; V751-L756 HydrophobicContact CG1-CD2 3.9Å; V751-L756 HydrophobicContact CG1-CG 4.01Å | ||
| 752 | G | 79.4 | Confident | 85.9 | Confident | 39 Ų | 39 | 50.7 Ų | 50.7 | 40% | 0.402 | 27% | 0.268 | S | S | . | . | trans | -64.9 | 147.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111 | D754 L755 | G752-D754 PolarHBondContact O-N 3.46Å; G752-L755 PolarHBondContact O-N 3.12Å | ||
| 753 | T | 81 | Confident | 85.3 | Confident | 49 Ų | 49 | 53.3 Ų | 53.3 | 30% | 0.301 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -53.4 | -42 | 171.8 | 40 | 0 | 0 | 0 | 0 | 111.8 | I695 L755 L756 E757 F775 | I695-T753 HydrophobicContact CD1-CG2 3.59Å; T753-L755 VanDerWaalsContact C-N 3.29Å; T753-L755 PolarHBondContact O-N 2.9Å; T753-L756 WeakPolarHBondContact O-CB 3.09Å; T753-L756 PolarHBondContact O-N 3.4Å; T753-E757 PolarHBondContact O-N 3.49Å; T753-F775 HydrophobicContact CG2-CE2 4.31Å |
| 754 | D | 86 | Confident | 84.7 | Confident | 103 Ų | 103 | 59.7 Ų | 59.7 | 55% | 0.551 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -65.7 | -34.6 | -172 | -43.6 | -11 | 0 | 0 | 0 | 110.8 | G752 L756 E757 E758 | G752-D754 PolarHBondContact O-N 3.46Å; D754-L756 VanDerWaalsContact C-N 3.31Å; D754-L756 PolarHBondContact O-N 3.28Å; D754-E757 PolarHBondContact O-N 3.26Å; D754-E758 WeakPolarHBondContact O-CB 3.5Å; D754-E758 WeakPolarHBondContact O-CG 3.48Å; D754-E758 PolarHBondContact O-N 2.81Å |
| 755 | L | 86.9 | Confident | 84.2 | Confident | 81 Ų | 81 | 66.6 Ų | 66.6 | 42% | 0.424 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64.2 | -35 | 174.2 | -177.5 | 67.3 | 0 | 0 | 0 | 112.2 | G752 T753 E759 | G752-L755 PolarHBondContact O-N 3.12Å; T753-L755 VanDerWaalsContact C-N 3.29Å; T753-L755 PolarHBondContact O-N 2.9Å; L755-E759 WeakPolarHBondContact O-CB 3.39Å; L755-E759 PolarHBondContact O-N 3.44Å |
| 756 | L | 84.8 | Confident | 83.8 | Confident | 3 Ų | 3 | 68.7 Ų | 68.7 | 2% | 0.016 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -73.3 | -40.9 | 175.5 | -59.7 | -177.7 | 0 | 0 | 0 | 111.3 | L723 V746 V751 T753 D754 E759 I760 | L723-L756 HydrophobicContact CD1-CD1 3.93Å; L723-L756 HydrophobicContact CD1-CD2 3.81Å; L723-L756 HydrophobicContact CD2-CD2 3.6Å; L723-L756 HydrophobicContact CG-CD2 4.28Å; V746-L756 HydrophobicContact CG1-CD1 3.66Å; V751-L756 HydrophobicContact CG1-CD1 4.38Å; V751-L756 HydrophobicContact CG1-CD2 3.9Å; V751-L756 HydrophobicContact CG1-CG 4.01Å; T753-L756 WeakPolarHBondContact O-CB 3.09Å; T753-L756 PolarHBondContact O-N 3.4Å; D754-L756 VanDerWaalsContact C-N 3.31Å; D754-L756 PolarHBondContact O-N 3.28Å; L756-E759 PolarHBondContact O-N 3.05Å; L756-I760 WeakPolarHBondContact O-CB 3.15Å; L756-I760 WeakPolarHBondContact O-CD1 3.5Å; L756-I760 WeakPolarHBondContact O-CG1 3.47Å; L756-I760 PolarHBondContact O-N 3.13Å |
| 757 | E | 85.8 | Confident | 83.6 | Confident | 69 Ų | 69 | 69 Ų | 69 | 32% | 0.322 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.1 | -45.4 | 175.3 | -68.2 | -177.7 | -170.3 | 0 | 0 | 110.6 | T753 D754 I760 T761 V772 | T753-E757 PolarHBondContact O-N 3.49Å; D754-E757 PolarHBondContact O-N 3.26Å; E757-I760 PolarHBondContact O-N 3.37Å; E757-T761 VanDerWaalsContact O-CB 3.29Å; E757-T761 WeakPolarHBondContact O-CB 3.4Å; E757-T761 VanDerWaalsContact O-CG2 3.23Å; E757-T761 WeakPolarHBondContact O-CG2 3.41Å; E757-T761 PolarHBondContact O-N 3.3Å; E757-T761 PolarHBondContact O-OG1 2.9Å; E757-V772 VanDerWaalsContact OE1-CG2 3.3Å; E757-V772 WeakPolarHBondContact OE1-CG2 3.2Å |
| 758 | E | 87.9 | Confident | 83.6 | Confident | 107 Ų | 107 | 71.3 Ų | 71.3 | 50% | 0.5 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -58.6 | -49.2 | 172.8 | -77.3 | -176.9 | -162.9 | 0 | 0 | 112.8 | D754 I760 T761 K762 | D754-E758 WeakPolarHBondContact O-CB 3.5Å; D754-E758 WeakPolarHBondContact O-CG 3.48Å; D754-E758 PolarHBondContact O-N 2.81Å; E758-I760 VanDerWaalsContact C-N 3.33Å; E758-I760 PolarHBondContact O-N 3.26Å; E758-T761 WeakPolarHBondContact CA-OG1 3.47Å; E758-T761 PolarHBondContact O-N 3.29Å; E758-T761 PolarHBondContact O-OG1 3.41Å; E758-K762 WeakPolarHBondContact O-CE 3.31Å; E758-K762 VanDerWaalsContact O-CG 3.24Å; E758-K762 WeakPolarHBondContact O-CG 3.09Å; E758-K762 PolarHBondContact O-N 3.48Å |
| 759 | E | 87.1 | Confident | 83.8 | Confident | 71 Ų | 71 | 70.7 Ų | 70.7 | 33% | 0.332 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -70.2 | -31 | -175.9 | -156.6 | 71.3 | -177.9 | 0 | 0 | 112.5 | V718 L755 L756 K762 F763 | V718-E759 HydrophobicContact CB-CG 4.28Å; V718-E759 HydrophobicContact CG1-CB 4.11Å; V718-E759 HydrophobicContact CG1-CG 3.75Å; V718-E759 HydrophobicContact CG2-CB 4.24Å; V718-E759 HydrophobicContact CG2-CG 3.58Å; L755-E759 WeakPolarHBondContact O-CB 3.39Å; L755-E759 PolarHBondContact O-N 3.44Å; L756-E759 PolarHBondContact O-N 3.05Å; E759-K762 WeakPolarHBondContact OE2-CD 3.48Å; E759-K762 IonicContact OE2-NZ 3.35Å; E759-K762 PolarHBondContact OE2-NZ 3.19Å; E759-F763 VanDerWaalsContact O-CD2 3.32Å; E759-F763 WeakPolarHBondContact O-CD2 3.48Å; E759-F763 VanDerWaalsContact O-CE2 3.25Å; E759-F763 WeakPolarHBondContact O-CE2 3.28Å |
| 760 | I | 86.4 | Confident | 84.2 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -78.2 | -38.8 | 175.5 | -60.3 | 163.5 | 0 | 0 | 0 | 111.1 | L697 V699 V715 W725 L756 E757 E758 K762 F763 V767 V770 | L697-I760 HydrophobicContact CD1-CD1 3.76Å; V699-I760 HydrophobicContact CG1-CG2 4.18Å; V699-I760 HydrophobicContact CG2-CG2 4.05Å; V715-I760 HydrophobicContact CG1-CD1 4.31Å; V715-I760 HydrophobicContact CG1-CG1 4.36Å; V715-I760 HydrophobicContact CG2-CG1 4.46Å; V715-I760 HydrophobicContact CG2-CG2 4.08Å; W725-I760 HydrophobicContact CH2-CD1 4.16Å; L756-I760 WeakPolarHBondContact O-CB 3.15Å; L756-I760 WeakPolarHBondContact O-CD1 3.5Å; L756-I760 WeakPolarHBondContact O-CG1 3.47Å; L756-I760 PolarHBondContact O-N 3.13Å; E757-I760 PolarHBondContact O-N 3.37Å; E758-I760 VanDerWaalsContact C-N 3.33Å; E758-I760 PolarHBondContact O-N 3.26Å; I760-K762 VanDerWaalsContact C-N 3.31Å; I760-K762 PolarHBondContact O-N 3.43Å; I760-F763 PolarHBondContact O-N 3.4Å; I760-V767 HydrophobicContact CG2-CG2 4.42Å; I760-V770 HydrophobicContact CB-CG2 3.98Å; I760-V770 HydrophobicContact CG2-CG2 3.42Å; I760-V770 VanDerWaalsContact CG2-CG2 3.42Å |
| 761 | T | 83.4 | Confident | 84.7 | Confident | 64 Ų | 64 | 65.2 Ų | 65.2 | 39% | 0.393 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -70.1 | -25.5 | 178.7 | 51 | 0 | 0 | 0 | 0 | 113 | E757 E758 F763 E764 V770 | E757-T761 VanDerWaalsContact O-CB 3.29Å; E757-T761 WeakPolarHBondContact O-CB 3.4Å; E757-T761 VanDerWaalsContact O-CG2 3.23Å; E757-T761 WeakPolarHBondContact O-CG2 3.41Å; E757-T761 PolarHBondContact O-N 3.3Å; E757-T761 PolarHBondContact O-OG1 2.9Å; E758-T761 WeakPolarHBondContact CA-OG1 3.47Å; E758-T761 PolarHBondContact O-N 3.29Å; E758-T761 PolarHBondContact O-OG1 3.41Å; T761-F763 PolarHBondContact O-N 2.79Å; T761-E764 VanDerWaalsContact O-CG 3.22Å; T761-E764 WeakPolarHBondContact O-CG 3.16Å; T761-E764 PolarHBondContact O-N 2.98Å; T761-V770 HydrophobicContact CG2-CB 4.4Å; T761-V770 HydrophobicContact CG2-CG2 3.83Å |
| 762 | K | 87.6 | Confident | 85.3 | Confident | 117 Ų | 117 | 68.4 Ų | 68.4 | 51% | 0.509 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -21.7 | 168.9 | -77.3 | 164.5 | -152.2 | 168.6 | 0 | 113.8 | E758 E759 I760 E764 | E758-K762 WeakPolarHBondContact O-CE 3.31Å; E758-K762 VanDerWaalsContact O-CG 3.24Å; E758-K762 WeakPolarHBondContact O-CG 3.09Å; E758-K762 PolarHBondContact O-N 3.48Å; E759-K762 WeakPolarHBondContact OE2-CD 3.48Å; E759-K762 IonicContact OE2-NZ 3.35Å; E759-K762 PolarHBondContact OE2-NZ 3.19Å; I760-K762 VanDerWaalsContact C-N 3.31Å; I760-K762 PolarHBondContact O-N 3.43Å; K762-E764 PolarHBondContact O-N 3.48Å |
| 763 | F | 81.8 | Confident | 85.8 | Confident | 55 Ų | 55 | 68.7 Ų | 68.7 | 24% | 0.241 | 36% | 0.355 | C | S | . | . | trans | -82.6 | 48.6 | 172.2 | -59.3 | -71.7 | 0 | 0 | 0 | 112.3 | C714 V718 E759 I760 T761 D765 Y766 V767 | C714-F763 HydrophobicContact CB-CD1 4.06Å; C714-F763 HydrophobicContact CB-CD2 4.31Å; C714-F763 HydrophobicContact CB-CE1 3.96Å; C714-F763 HydrophobicContact CB-CE2 4.22Å; C714-F763 HydrophobicContact CB-CG 4.23Å; C714-F763 HydrophobicContact CB-CZ 4.05Å; V718-F763 HydrophobicContact CG2-CE2 4.05Å; E759-F763 VanDerWaalsContact O-CD2 3.32Å; E759-F763 WeakPolarHBondContact O-CD2 3.48Å; E759-F763 VanDerWaalsContact O-CE2 3.25Å; E759-F763 WeakPolarHBondContact O-CE2 3.28Å; I760-F763 PolarHBondContact O-N 3.4Å; T761-F763 PolarHBondContact O-N 2.79Å; F763-D765 PolarHBondContact O-N 3.01Å; F763-D765 VanDerWaalsContact O-N 3.08Å; F763-Y766 PolarHBondContact O-N 2.84Å; F763-V767 HydrophobicContact CB-CG2 4.17Å; F763-V767 PolarHBondContact O-N 3.36Å | ||
| 764 | E | 78.6 | Confident | 86.2 | Confident | 147 Ų | 147 | 67.9 Ų | 67.9 | 69% | 0.687 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -30.5 | -176.9 | -62.6 | -173.9 | 171.6 | 0 | 0 | 113.2 | W702 T761 K762 Y766 | W702-E764 PolarHBondContact NE1-O 2.85Å; T761-E764 VanDerWaalsContact O-CG 3.22Å; T761-E764 WeakPolarHBondContact O-CG 3.16Å; T761-E764 PolarHBondContact O-N 2.98Å; K762-E764 PolarHBondContact O-N 3.48Å; E764-Y766 PolarHBondContact O-N 3.37Å |
| 765 | D | 81.6 | Confident | 86.5 | Confident | 145 Ų | 145 | 68 Ų | 68 | 78% | 0.775 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -27.3 | 176.8 | -70.1 | -32.8 | 0 | 0 | 0 | 113.8 | F763 | F763-D765 PolarHBondContact O-N 3.01Å; F763-D765 VanDerWaalsContact O-N 3.08Å |
| 766 | Y | 80.7 | Confident | 86.7 | Confident | 82 Ų | 82 | 68.4 Ų | 68.4 | 32% | 0.322 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.4 | -27.1 | -174.2 | -62.8 | -85 | 0 | 0 | 0 | 112.8 | P701 T706 L711 F763 E764 | P701-Y766 WeakPolarHBondContact CA-O 3.24Å; T706-Y766 HydrophobicContact CG2-CD1 4.01Å; L711-Y766 WeakPolarHBondContact CD1-O 3.42Å; F763-Y766 PolarHBondContact O-N 2.84Å; E764-Y766 PolarHBondContact O-N 3.37Å |
| 767 | V | 86.6 | Confident | 86.9 | Confident | 9 Ų | 9 | 74.9 Ų | 74.9 | 6% | 0.055 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 122.3 | -172.4 | -179.2 | 0 | 0 | 0 | 0 | 110.4 | V699 W702 L711 I760 F763 S769 V770 | V699-V767 HydrophobicContact CG1-CB 4.19Å; V699-V767 HydrophobicContact CG1-CG1 3.62Å; V699-V767 HydrophobicContact CG1-CG2 3.56Å; W702-V767 PolarHBondContact NE1-O 3.12Å; W702-V767 VanDerWaalsContact NE1-O 3.14Å; L711-V767 HydrophobicContact CD1-CG2 4.37Å; L711-V767 HydrophobicContact CG-CG2 4.44Å; I760-V767 HydrophobicContact CG2-CG2 4.42Å; F763-V767 HydrophobicContact CB-CG2 4.17Å; F763-V767 PolarHBondContact O-N 3.36Å; V767-S769 WeakPolarHBondContact CG1-O 3.32Å; V767-V770 HydrophobicContact CG1-CG2 3.85Å |
| 768 | Q | 87.3 | Confident | 86.7 | Confident | 77 Ų | 77 | 78.1 Ų | 78.1 | 36% | 0.36 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | -42 | 170.5 | 172.2 | 172.6 | 100.3 | 0 | 0 | 111.9 | K700 W702 | K700-Q768 WeakPolarHBondContact O-CB 3.13Å; K700-Q768 PolarHBondContact O-N 3.37Å; W702-Q768 HydrophobicContact CD2-CB 3.86Å; W702-Q768 HydrophobicContact CD2-CG 4.41Å; W702-Q768 HydrophobicContact CE3-CB 4.09Å; W702-Q768 HydrophobicContact CE3-CG 4.15Å; W702-Q768 VanDerWaalsContact CE3-NE2 3.3Å; W702-Q768 HydrophobicContact CG-CB 4.24Å; W702-Q768 HydrophobicContact CH2-CG 4.34Å; W702-Q768 HydrophobicContact CZ2-CB 4.39Å; W702-Q768 HydrophobicContact CZ3-CB 4.44Å; W702-Q768 HydrophobicContact CZ3-CG 4.11Å |
| 769 | S | 86.9 | Confident | 86.6 | Confident | 36 Ų | 36 | 76.7 Ų | 76.7 | 25% | 0.252 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 156.2 | 177.3 | 65.9 | 0 | 0 | 0 | 0 | 111.4 | K700 V767 D771 | K700-S769 PolarHBondContact N-O 3.43Å; K700-S769 PolarHBondContact O-N 2.73Å; V767-S769 WeakPolarHBondContact CG1-O 3.32Å; S769-D771 PolarHBondContact OG-OD2 3.3Å |
| 770 | V | 90.3 | Very high | 86.6 | Confident | 23 Ų | 23 | 76.9 Ų | 76.9 | 14% | 0.139 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 129.2 | 168.6 | -175.8 | 0 | 0 | 0 | 0 | 107.1 | L697 I760 T761 V767 | L697-V770 HydrophobicContact CD2-CG1 4.26Å; I760-V770 HydrophobicContact CB-CG2 3.98Å; I760-V770 HydrophobicContact CG2-CG2 3.42Å; I760-V770 VanDerWaalsContact CG2-CG2 3.42Å; T761-V770 HydrophobicContact CG2-CB 4.4Å; T761-V770 HydrophobicContact CG2-CG2 3.83Å; V767-V770 HydrophobicContact CG1-CG2 3.85Å |
| 771 | D | 90.6 | Very high | 86.6 | Confident | 89 Ų | 89 | 81.2 Ų | 81.2 | 48% | 0.476 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 133.8 | 179.9 | -68.7 | -76.2 | 0 | 0 | 0 | 109.9 | D698 S769 A773 | D698-D771 HydrophobicContact CB-CB 4.28Å; D698-D771 PolarHBondContact N-O 3.07Å; D698-D771 PolarHBondContact O-N 2.89Å; S769-D771 PolarHBondContact OG-OD2 3.3Å; D771-A773 PolarHBondContact O-N 2.68Å |
| 772 | V | 90.3 | Very high | 86.8 | Confident | 70 Ų | 70 | 82.2 Ų | 82.2 | 42% | 0.424 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 105.8 | 171.6 | -178.9 | 0 | 0 | 0 | 0 | 109.3 | I695 L697 E757 F775 | I695-V772 HydrophobicContact CG2-CG1 4.07Å; L697-V772 HydrophobicContact CD2-CG2 4.07Å; E757-V772 VanDerWaalsContact OE1-CG2 3.3Å; E757-V772 WeakPolarHBondContact OE1-CG2 3.2Å; V772-F775 HydrophobicContact CG1-CB 4.43Å |
| 773 | A | 89.7 | Confident | 86.7 | Confident | 46 Ų | 46 | 80.1 Ų | 80.1 | 38% | 0.38 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | -31.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | L696 D698 D771 | L696-A773 HydrophobicContact CB-CB 4.17Å; L696-A773 WeakPolarHBondContact O-CB 3.14Å; L696-A773 PolarHBondContact O-N 3.34Å; D698-A773 HydrophobicContact CB-CB 4.25Å; D698-A773 VanDerWaalsContact CG-CB 3.5Å; D698-A773 WeakPolarHBondContact OD1-CB 3.03Å; D771-A773 PolarHBondContact O-N 2.68Å |
| 774 | A | 90.4 | Very high | 87.1 | Confident | 32 Ų | 32 | 81.7 Ų | 81.7 | 26% | 0.264 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.7 | 149.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111 | L696 | L696-A774 HydrophobicContact CB-CB 4.17Å; L696-A774 HydrophobicContact CD1-CB 4.04Å; L696-A774 HydrophobicContact CG-CB 4.34Å; L696-A774 PolarHBondContact N-O 3.35Å; L696-A774 PolarHBondContact O-N 2.85Å |
| 775 | F | 91.5 | Very high | 87.7 | Confident | 106 Ų | 106 | 77.1 Ų | 77.1 | 47% | 0.465 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 120.6 | 173.4 | -179.5 | -87.4 | 0 | 0 | 0 | 109 | S693 I695 T753 V772 | S693-F775 WeakPolarHBondContact OG-CE2 3.42Å; I695-F775 HydrophobicContact CD1-CD2 3.89Å; I695-F775 HydrophobicContact CD1-CE2 3.85Å; I695-F775 HydrophobicContact CG1-CD2 3.79Å; I695-F775 HydrophobicContact CG1-CE2 4.03Å; I695-F775 HydrophobicContact CG2-CD2 4.49Å; T753-F775 HydrophobicContact CG2-CE2 4.31Å; V772-F775 HydrophobicContact CG1-CB 4.43Å |
| 776 | N | 91.4 | Very high | 88.1 | Confident | 88 Ų | 88 | 71.8 Ų | 71.8 | 47% | 0.471 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 124.4 | 178.7 | -62.6 | -63.6 | 0 | 0 | 0 | 109.7 | S693 S694 | S693-N776 CarbonylContact C-O 3.54Å; S693-N776 WeakPolarHBondContact CA-O 3.39Å; S694-N776 PolarHBondContact N-O 2.99Å; S694-N776 PolarHBondContact O-N 3.19Å |
| 777 | K | 89.2 | Confident | 88.8 | Confident | 139 Ų | 139 | 71 Ų | 71 | 60% | 0.604 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 138.8 | 170.6 | -157.6 | -179.3 | -175.4 | 82.8 | 0 | 110 | D748 | D748-K777 IonicContact OD2-NZ 2.63Å; D748-K777 PolarHBondContact OD2-NZ 2.98Å |
| 778 | I | 81.3 | Confident | 89 | Confident | 137 Ų | 137 | 76.6 Ų | 76.6 | 70% | 0.703 | 41% | 0.413 | S | S | * | . | trans | -132.1 | 0 | -176.1 | 64.6 | 169.1 | 0 | 0 | 0 | 112.8 | K692 V745 | K692-I778 HydrophobicContact CB-CD1 4.01Å; K692-I778 HydrophobicContact CB-CG1 3.55Å; K692-I778 PolarHBondContact O-N 3.22Å; V745-I778 HydrophobicContact CG1-CD1 3.81Å; V745-I778 HydrophobicContact CG2-CD1 4.41Å |
Retrieved 778 of 778 residues in 523.3 ms
(Link to these results)