| 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 | 42 | Very low | 45.2 | Very low | 245 Ų | 245 | 139.1 Ų | 139.1 | 100% | 1.207 | 77% | 0.774 | S | S | * | * | 0 | 107.9 | 0 | -75.4 | 170.4 | 169.1 | 0 | 0 | 105.9 | |||||
| 2 | S | 42.6 | Very low | 45.2 | Very low | 110 Ų | 110 | 148.9 Ų | 148.9 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | cis | -175.5 | 130 | -17.5 | 16.5 | 0 | 0 | 0 | 0 | 102.8 | ||||
| 3 | D | 47.3 | Very low | 44.5 | Very low | 153 Ų | 153 | 142.2 Ų | 142.2 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | -51.8 | 164.6 | 167.2 | -57.1 | -92 | 0 | 0 | 0 | 113.4 | ||||
| 4 | I | 55.2 | Low | 44.2 | Very low | 145 Ų | 145 | 139.6 Ų | 139.6 | 74% | 0.744 | 78% | 0.775 | S | S | * | * | trans | 159.4 | 106.7 | 151.5 | -85 | 151.4 | 0 | 0 | 0 | 107.9 | ||||
| 5 | E | 49.8 | Very low | 44.1 | Very low | 165 Ų | 165 | 145.6 Ų | 145.6 | 77% | 0.771 | 78% | 0.782 | S | S | * | * | 73 | 143.2 | 84.5 | -81.9 | -174.2 | 137.6 | 0 | 0 | 111.9 | |||||
| 6 | D | 47.6 | Very low | 44.4 | Very low | 143 Ų | 143 | 143.6 Ų | 143.6 | 77% | 0.765 | 78% | 0.783 | S | S | * | * | cis | -174.7 | 176.1 | -2.6 | -134.6 | -50.6 | 0 | 0 | 0 | 108.4 | ||||
| 7 | G | 44.4 | Very low | 44.7 | Very low | 63 Ų | 63 | 142.2 Ų | 142.2 | 65% | 0.649 | 78% | 0.782 | S | S | * | * | trans | 108.5 | 91.8 | 153.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 8 | N | 40.9 | Very low | 44.5 | Very low | 130 Ų | 130 | 140.1 Ų | 140.1 | 70% | 0.695 | 78% | 0.779 | S | S | * | * | 55.9 | 100.2 | 63.9 | -149.9 | 63.4 | 0 | 0 | 0 | 113.6 | D10 | N8-D10 PolarHBondContact ND2-OD2 2.75Å; N8-D10 VanDerWaalsContact ND2-OD2 3.11Å | |||
| 9 | F | 46.1 | Very low | 44.6 | Very low | 203 Ų | 203 | 143.8 Ų | 143.8 | 89% | 0.89 | 79% | 0.786 | S | S | * | * | trans | -112.7 | 97.8 | 161.6 | -174.3 | -101.6 | 0 | 0 | 0 | 108.8 | ||||
| 10 | D | 43.2 | Very low | 44.4 | Very low | 117 Ų | 117 | 141.5 Ų | 141.5 | 63% | 0.626 | 78% | 0.781 | S | S | * | * | trans | -47.6 | 135.5 | 157 | -58.7 | -82.8 | 0 | 0 | 0 | 109.7 | N8 | N8-D10 PolarHBondContact ND2-OD2 2.75Å; N8-D10 VanDerWaalsContact ND2-OD2 3.11Å | ||
| 11 | G | 37.8 | Very low | 44.1 | Very low | 56 Ų | 56 | 139.9 Ų | 139.9 | 58% | 0.577 | 77% | 0.772 | S | S | * | * | 119.6 | 158.4 | 51.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 12 | R | 45.2 | Very low | 43.9 | Very low | 257 Ų | 257 | 139.4 Ų | 139.4 | 97% | 0.97 | 76% | 0.756 | S | S | * | * | trans | 82.2 | 126.3 | 169.9 | -45.1 | 173.3 | -170.4 | -139.3 | 0.8 | 114.8 | ||||
| 13 | G | 36.5 | Very low | 43.4 | Very low | 62 Ų | 62 | 137.8 Ų | 137.8 | 64% | 0.639 | 76% | 0.757 | S | S | * | * | cis | 168.7 | 143.6 | 1.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 14 | S | 40.4 | Very low | 43.2 | Very low | 105 Ų | 105 | 136 Ų | 136 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | trans | 63.9 | 133 | 132.3 | 57.5 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 15 | R | 41.8 | Very low | 43.2 | Very low | 230 Ų | 230 | 134.7 Ų | 134.7 | 87% | 0.868 | 76% | 0.757 | S | S | * | * | trans | 100.1 | 101 | 142.2 | -70.9 | 153.2 | -179.5 | -166.9 | 1.2 | 118.3 | ||||
| 16 | S | 49 | Very low | 42.9 | Very low | 114 Ų | 114 | 133.5 Ų | 133.5 | 80% | 0.797 | 76% | 0.761 | S | S | * | * | trans | -58.7 | 152.6 | 138 | -44.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 17 | P | 49.2 | Very low | 42.5 | Very low | 119 Ų | 119 | 137.7 Ų | 137.7 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | -143.4 | 152.2 | 108.5 | 34.1 | -18 | 0 | 0 | 0 | 115.2 | |||||
| 18 | S | 42.2 | Very low | 42.2 | Very low | 105 Ų | 105 | 139.5 Ų | 139.5 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | trans | -34.4 | 143.6 | 155.3 | 50.2 | 0 | 0 | 0 | 0 | 116 | ||||
| 19 | K | 46.9 | Very low | 42 | Very low | 210 Ų | 210 | 142.3 Ų | 142.3 | 91% | 0.913 | 77% | 0.771 | S | S | * | * | trans | -151 | 127.6 | 131 | -78.6 | -154.9 | 177.2 | 175.9 | 0 | 112.2 | ||||
| 20 | S | 40.5 | Very low | 41.6 | Very low | 98 Ų | 98 | 137.2 Ų | 137.2 | 69% | 0.685 | 76% | 0.76 | S | S | * | * | trans | -77.1 | 173.1 | 164.2 | 46 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 21 | D | 37.9 | Very low | 41.2 | Very low | 108 Ų | 108 | 141.2 Ų | 141.2 | 58% | 0.578 | 78% | 0.775 | S | S | * | * | trans | 120.4 | 104.4 | 143.6 | -70.7 | -74.5 | 0 | 0 | 0 | 118.2 | ||||
| 22 | R | 36.4 | Very low | 41 | Very low | 234 Ų | 234 | 143 Ų | 143 | 88% | 0.883 | 78% | 0.779 | S | S | * | * | 74.2 | 127.2 | 124.9 | -63 | -179.9 | -159 | -159.3 | 5.5 | 120.3 | |||||
| 23 | G | 33 | Very low | 40.6 | Very low | 77 Ų | 77 | 141.6 Ų | 141.6 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | trans | 148.6 | 76.3 | 137.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 24 | S | 42 | Very low | 40.4 | Very low | 116 Ų | 116 | 144.1 Ų | 144.1 | 81% | 0.811 | 78% | 0.781 | S | S | * | * | trans | -72.9 | 177.8 | 144.9 | -47.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 25 | P | 56.2 | Low | 40 | Very low | 116 Ų | 116 | 142.4 Ų | 142.4 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | cis | -138.6 | 174.4 | -4.7 | 39.5 | -21.5 | 0 | 0 | 0 | 114.3 | ||||
| 26 | V | 42.5 | Very low | 39.7 | Very low | 141 Ų | 141 | 137.5 Ų | 137.5 | 86% | 0.855 | 78% | 0.782 | S | S | * | * | trans | -171.6 | 112.7 | 140.1 | -88.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 27 | R | 39.3 | Very low | 38.9 | Very low | 230 Ų | 230 | 136.8 Ų | 136.8 | 87% | 0.868 | 78% | 0.782 | S | S | * | * | 54.8 | 130.4 | 79.5 | -110.6 | -163.9 | 153.4 | -126.2 | 1.8 | 112.1 | |||||
| 28 | V | 38.3 | Very low | 38.3 | Very low | 101 Ų | 101 | 136.7 Ų | 136.7 | 61% | 0.612 | 79% | 0.785 | S | S | * | * | cis | -164.9 | 157.9 | 23.9 | -85.4 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 29 | K | 37.4 | Very low | 38.5 | Very low | 190 Ų | 190 | 137.2 Ų | 137.2 | 83% | 0.826 | 79% | 0.786 | S | S | * | * | 177.1 | 104.7 | 73.2 | -149.4 | 169.7 | -176.9 | -177.5 | 0 | 105.8 | |||||
| 30 | S | 37 | Very low | 38.1 | Very low | 96 Ų | 96 | 131.7 Ų | 131.7 | 67% | 0.671 | 77% | 0.773 | S | S | * | * | 48.3 | 107.5 | 92.7 | 71.2 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 31 | E | 35.1 | Very low | 38 | Very low | 201 Ų | 201 | 138.2 Ų | 138.2 | 94% | 0.939 | 78% | 0.783 | S | S | * | * | trans | -142.8 | 99.8 | 136.8 | -77.5 | -158.9 | 117.4 | 0 | 0 | 110 | ||||
| 32 | S | 34.8 | Very low | 37.8 | Very low | 94 Ų | 94 | 137.9 Ų | 137.9 | 66% | 0.657 | 80% | 0.795 | S | S | * | * | trans | -79.7 | 149 | 154.9 | 52.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 33 | R | 36.3 | Very low | 37.7 | Very low | 226 Ų | 226 | 130.8 Ų | 130.8 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | trans | 148.5 | 108.1 | 139.4 | -84.9 | 164.7 | -176.7 | -156.5 | -0.5 | 110 | ||||
| 34 | S | 33 | Very low | 37.8 | Very low | 115 Ų | 115 | 136.8 Ų | 136.8 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | 77.3 | 135.8 | 87.2 | 75.4 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 35 | G | 30.5 | Very low | 37.3 | Very low | 70 Ų | 70 | 139.9 Ų | 139.9 | 72% | 0.722 | 79% | 0.792 | S | S | * | * | trans | 119.5 | 99.1 | 150.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 36 | S | 35.8 | Very low | 36.2 | Very low | 127 Ų | 127 | 138.4 Ų | 138.4 | 89% | 0.888 | 78% | 0.784 | S | S | * | * | trans | -36.6 | 135.1 | 145.3 | 48.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 37 | A | 32 | Very low | 35.8 | Very low | 98 Ų | 98 | 139.8 Ų | 139.8 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | trans | -157.8 | 120.2 | 150 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 38 | S | 36.6 | Very low | 35.5 | Very low | 118 Ų | 118 | 134.1 Ų | 134.1 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | trans | -65.7 | 162.4 | 163.3 | -47.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 39 | P | 47.8 | Very low | 35.1 | Very low | 116 Ų | 116 | 140.8 Ų | 140.8 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | -136.1 | 119.4 | 123.9 | 31.8 | -17.4 | 0 | 0 | 0 | 110.2 | |||||
| 40 | S | 36.9 | Very low | 35 | Very low | 93 Ų | 93 | 137.1 Ų | 137.1 | 65% | 0.65 | 79% | 0.79 | S | S | * | * | 76.2 | 119.8 | 77.2 | 83.9 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 41 | R | 39.3 | Very low | 34.6 | Very low | 236 Ų | 236 | 143.9 Ų | 143.9 | 89% | 0.891 | 80% | 0.8 | S | S | * | * | trans | 90.1 | 99.9 | 151 | -60.8 | 175.6 | 172.3 | -164.9 | -3.3 | 116.9 | ||||
| 42 | A | 32.8 | Very low | 34.4 | Very low | 100 Ų | 100 | 139.2 Ų | 139.2 | 83% | 0.826 | 79% | 0.79 | S | S | * | * | 74.4 | 122 | 87 | 0 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 43 | A | 35.3 | Very low | 34.2 | Very low | 85 Ų | 85 | 143.7 Ų | 143.7 | 70% | 0.702 | 80% | 0.797 | S | S | * | * | -168.3 | 147.3 | 59 | 0 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 44 | K | 34.8 | Very low | 34 | Very low | 203 Ų | 203 | 137.3 Ų | 137.3 | 88% | 0.883 | 79% | 0.788 | S | S | * | * | trans | 64.3 | 107.8 | 139.8 | -62.8 | 167.1 | -172.5 | -174.9 | 0 | 120.7 | ||||
| 45 | H | 31.5 | Very low | 33.8 | Very low | 182 Ų | 182 | 143.2 Ų | 143.2 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | -156.4 | 127.2 | 104.6 | -145.2 | -92 | 0 | 0 | 0 | 110.8 | |||||
| 46 | S | 33.9 | Very low | 33.8 | Very low | 85 Ų | 85 | 145 Ų | 145 | 59% | 0.594 | 79% | 0.794 | S | S | * | * | trans | -59.6 | 156.5 | 161.8 | 42 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 47 | E | 33.8 | Very low | 33.7 | Very low | 170 Ų | 170 | 151 Ų | 151 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | -177.6 | 144.4 | 59.4 | -147.6 | 173.7 | 166.1 | 0 | 0 | 110.6 | |||||
| 48 | S | 32.7 | Very low | 33.6 | Very low | 110 Ų | 110 | 151.4 Ų | 151.4 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | trans | 51.2 | 112.2 | 151.4 | 58.5 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 49 | R | 30.7 | Very low | 33.6 | Very low | 241 Ų | 241 | 157.5 Ų | 157.5 | 91% | 0.909 | 80% | 0.799 | S | S | * | * | trans | -73.8 | 147 | 153.4 | -66.8 | 166.4 | 164.9 | 165.8 | -5.5 | 111.6 | ||||
| 50 | S | 33.6 | Very low | 32.7 | Very low | 114 Ų | 114 | 163.3 Ų | 163.3 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | trans | 162.9 | 116.5 | 131.6 | 46.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 51 | R | 29.5 | Very low | 32.4 | Very low | 237 Ų | 237 | 168 Ų | 168 | 89% | 0.894 | 82% | 0.817 | S | S | * | * | 82.5 | 106.4 | 85.3 | -108.9 | 178.4 | -177.8 | 168.1 | -0.3 | 115.5 | |||||
| 52 | S | 31.3 | Very low | 32.1 | Very low | 103 Ų | 103 | 162.4 Ų | 162.4 | 72% | 0.72 | 81% | 0.814 | S | S | * | * | trans | 79 | 145.3 | 131.3 | 66 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 53 | K | 29.8 | Very low | 32.1 | Very low | 188 Ų | 188 | 165.6 Ų | 165.6 | 82% | 0.817 | 82% | 0.817 | S | S | * | * | trans | 93.7 | 103.7 | 148.3 | -81.2 | 171 | 175.9 | 171.9 | 0 | 120.6 | ||||
| 54 | S | 31.8 | Very low | 31.7 | Very low | 93 Ų | 93 | 173.3 Ų | 173.3 | 65% | 0.65 | 83% | 0.828 | S | S | * | * | 23.7 | 129.4 | 128.6 | 58.4 | 0 | 0 | 0 | 0 | 120 | |||||
| 55 | R | 29.3 | Very low | 31.5 | Very low | 239 Ų | 239 | 175 Ų | 175 | 90% | 0.902 | 83% | 0.829 | S | S | * | * | 178.6 | 143.7 | 120.2 | -95.2 | 157.9 | -179 | 171.4 | -0.8 | 113.7 | |||||
| 56 | S | 31 | Very low | 31.3 | Very low | 108 Ų | 108 | 175.4 Ų | 175.4 | 76% | 0.755 | 82% | 0.824 | S | S | * | * | trans | -47.6 | 147.9 | 178.5 | 6.1 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 57 | R | 32.6 | Very low | 31.2 | Very low | 252 Ų | 252 | 175.7 Ų | 175.7 | 95% | 0.951 | 83% | 0.827 | S | S | * | * | trans | -151.7 | 127.4 | 141.6 | -68.2 | -160.2 | 174.9 | 138.7 | 0.1 | 113.7 | ||||
| 58 | S | 31.1 | Very low | 30.9 | Very low | 106 Ų | 106 | 178.2 Ų | 178.2 | 74% | 0.741 | 83% | 0.829 | S | S | * | * | trans | -55.2 | 150.1 | 173.9 | 50.9 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 59 | R | 35.1 | Very low | 30.9 | Very low | 246 Ų | 246 | 177.8 Ų | 177.8 | 93% | 0.928 | 83% | 0.826 | S | S | * | * | trans | -125.8 | 107.3 | 153.9 | -71.5 | -173.5 | -180 | 166.4 | 0.6 | 110.6 | ||||
| 60 | R | 29.5 | Very low | 30.9 | Very low | 239 Ų | 239 | 177.7 Ų | 177.7 | 90% | 0.902 | 83% | 0.826 | S | S | * | * | trans | -64.6 | 139 | 175.7 | -81.5 | 176 | 165.8 | -165.8 | -4.5 | 111.2 | ||||
| 61 | H | 30.6 | Very low | 30.9 | Very low | 190 Ų | 190 | 178 Ų | 178 | 88% | 0.88 | 83% | 0.827 | S | S | * | * | trans | -81.4 | 127 | 161.8 | -73.9 | 12.4 | 0 | 0 | 0 | 109.6 | ||||
| 62 | S | 34.4 | Very low | 31.8 | Very low | 119 Ų | 119 | 172.6 Ų | 172.6 | 83% | 0.832 | 82% | 0.823 | S | S | * | * | trans | -92.7 | 112.4 | 173.9 | 43.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 63 | N | 31 | Very low | 31.9 | Very low | 168 Ų | 168 | 173.5 Ų | 173.5 | 90% | 0.898 | 83% | 0.83 | S | S | * | * | trans | -74.4 | 129.3 | 162.7 | -84.9 | -39.6 | 0 | 0 | 0 | 109.5 | ||||
| 64 | R | 27.9 | Very low | 32 | Very low | 247 Ų | 247 | 172.1 Ų | 172.1 | 93% | 0.932 | 83% | 0.831 | S | S | * | * | trans | -130.7 | 113.1 | 164.7 | -148.8 | 174.3 | -134.4 | 168.3 | 3.3 | 109.8 | ||||
| 65 | R | 30.3 | Very low | 32 | Very low | 239 Ų | 239 | 179.8 Ų | 179.8 | 90% | 0.902 | 85% | 0.846 | S | S | * | * | trans | -74.7 | 145.1 | 171.2 | -65 | -178.6 | 176.6 | -158.7 | -0.5 | 109.9 | ||||
| 66 | Y | 27.1 | Very low | 32.2 | Very low | 189 Ų | 189 | 178.1 Ų | 178.1 | 74% | 0.741 | 85% | 0.845 | S | S | * | * | trans | -149.5 | 128.4 | 144.4 | -167.4 | -102.8 | 0 | 0 | 0 | 110.8 | ||||
| 67 | S | 31.8 | Very low | 32.2 | Very low | 92 Ų | 92 | 181.2 Ų | 181.2 | 64% | 0.643 | 85% | 0.845 | S | S | * | * | trans | -83.7 | 147.6 | -176.6 | 42.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 68 | R | 28.9 | Very low | 32.1 | Very low | 223 Ų | 223 | 173.6 Ų | 173.6 | 84% | 0.842 | 83% | 0.83 | S | S | * | * | trans | -152.4 | 126.5 | 148.1 | -123.9 | 166.1 | -176.1 | 154.8 | -0.1 | 112.8 | ||||
| 69 | S | 31 | Very low | 32.1 | Very low | 101 Ų | 101 | 179.1 Ų | 179.1 | 71% | 0.706 | 84% | 0.835 | S | S | * | * | trans | -87 | 155.5 | -178.4 | 39.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 70 | R | 30.4 | Very low | 31.8 | Very low | 239 Ų | 239 | 172.8 Ų | 172.8 | 90% | 0.902 | 83% | 0.828 | S | S | * | * | 171.6 | 108.3 | 124.7 | -91.5 | 165 | -180 | -168.3 | -0.6 | 113.9 | |||||
| 71 | S | 33.9 | Very low | 31.8 | Very low | 119 Ų | 119 | 172 Ų | 172 | 83% | 0.832 | 83% | 0.827 | S | S | * | * | trans | 20.5 | 158.3 | 142.4 | -53.1 | 0 | 0 | 0 | 0 | 126 | ||||
| 72 | P | 48.8 | Very low | 31.7 | Very low | 125 Ų | 125 | 167.5 Ų | 167.5 | 81% | 0.812 | 82% | 0.817 | S | S | * | * | trans | -110.6 | 169.6 | -163.6 | 41 | -28 | 0 | 0 | 0 | 114.7 | ||||
| 73 | S | 33.4 | Very low | 32.5 | Very low | 122 Ų | 122 | 166.8 Ų | 166.8 | 85% | 0.853 | 81% | 0.809 | S | S | * | * | trans | -150.5 | 144.1 | 163.1 | 69 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 74 | N | 32.8 | Very low | 32.3 | Very low | 159 Ų | 159 | 166.1 Ų | 166.1 | 85% | 0.85 | 80% | 0.801 | S | S | * | * | trans | -84.4 | 153.6 | -174.9 | -70.3 | -67.1 | 0 | 0 | 0 | 113.3 | ||||
| 75 | R | 32 | Very low | 32.6 | Very low | 254 Ų | 254 | 164.5 Ų | 164.5 | 96% | 0.958 | 80% | 0.796 | S | S | * | * | trans | -167.3 | 133.6 | 134.1 | -123 | 171.3 | -173.9 | 170.7 | 2.4 | 114.9 | ||||
| 76 | K | 33.3 | Very low | 32.7 | Very low | 204 Ų | 204 | 162.6 Ų | 162.6 | 89% | 0.887 | 79% | 0.789 | S | S | * | * | trans | -92 | 148.8 | 173.3 | -58.8 | -171.5 | 177.3 | -177 | 0 | 111.5 | ||||
| 77 | K | 29.5 | Very low | 33.1 | Very low | 172 Ų | 172 | 162.8 Ų | 162.8 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | trans | -175.8 | 99.5 | 147.2 | -138.6 | 161.9 | 179.3 | 176.6 | 0 | 110.8 | ||||
| 78 | S | 31.3 | Very low | 33.1 | Very low | 92 Ų | 92 | 166.7 Ų | 166.7 | 64% | 0.643 | 80% | 0.799 | S | S | * | * | 42.3 | 116.8 | 102.4 | 57.9 | 0 | 0 | 0 | 0 | 117 | |||||
| 79 | R | 31.4 | Very low | 33.2 | Very low | 222 Ų | 222 | 164.5 Ų | 164.5 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | 174.9 | 139.4 | 112.8 | -93.2 | 162 | 178.1 | 157.4 | -4.1 | 112.9 | |||||
| 80 | S | 29.5 | Very low | 33.4 | Very low | 113 Ų | 113 | 165.2 Ų | 165.2 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | trans | -63.5 | 152.3 | 169.6 | 40.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 81 | Y | 27.7 | Very low | 33.4 | Very low | 224 Ų | 224 | 161.1 Ų | 161.1 | 88% | 0.878 | 79% | 0.791 | S | S | * | * | 169 | 140.9 | 123.2 | -167.8 | -109.4 | 0 | 0 | 0 | 111.2 | |||||
| 82 | S | 30.1 | Very low | 33.6 | Very low | 95 Ų | 95 | 160.7 Ų | 160.7 | 66% | 0.664 | 79% | 0.789 | S | S | * | * | trans | -84 | -155.2 | -178.2 | -45.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 83 | P | 49.8 | Very low | 32.9 | Very low | 103 Ų | 103 | 163.6 Ų | 163.6 | 67% | 0.669 | 79% | 0.792 | S | S | * | * | -123.7 | -160 | -61.9 | 28.8 | -7.2 | 0 | 0 | 0 | 110.9 | |||||
| 84 | E | 28.2 | Very low | 33.1 | Very low | 154 Ų | 154 | 163.3 Ų | 163.3 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | trans | 96.4 | 103.9 | 164.3 | -65.6 | -76.7 | 145.8 | 0 | 0 | 117.5 | ||||
| 85 | Y | 32.9 | Very low | 33.6 | Very low | 213 Ų | 213 | 161.5 Ų | 161.5 | 84% | 0.835 | 79% | 0.786 | S | S | * | * | -157.8 | 126.4 | 108.1 | -146.2 | -108.4 | 0 | 0 | 0 | 112.6 | |||||
| 86 | R | 34.1 | Very low | 33.8 | Very low | 200 Ų | 200 | 156.6 Ų | 156.6 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | trans | -82.5 | 125.4 | 175.8 | 176.5 | -170.9 | -169.1 | -169 | 5 | 109.6 | ||||
| 87 | K | 34.5 | Very low | 34 | Very low | 192 Ų | 192 | 158.2 Ų | 158.2 | 84% | 0.835 | 78% | 0.78 | S | S | * | * | trans | -158.5 | 128.2 | 145.7 | -134.4 | 167.5 | -179.9 | 175.7 | 0 | 116.4 | ||||
| 88 | K | 32.3 | Very low | 34.3 | Very low | 174 Ų | 174 | 161 Ų | 161 | 76% | 0.757 | 79% | 0.786 | S | S | * | * | trans | -37.3 | 136.2 | 172.4 | -66.3 | -164.4 | 177.3 | -170.7 | 0 | 115.6 | ||||
| 89 | K | 29.8 | Very low | 34.6 | Very low | 177 Ų | 177 | 165.6 Ų | 165.6 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | 65.9 | 104.9 | 82.8 | -167.7 | -177.8 | -177.5 | -178.4 | 0 | 113.1 | |||||
| 90 | S | 35.8 | Very low | 35 | Very low | 116 Ų | 116 | 161.7 Ų | 161.7 | 81% | 0.811 | 80% | 0.797 | S | S | * | * | trans | -142.8 | 118.5 | 148.5 | 49.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 91 | Q | 31.2 | Very low | 35.5 | Very low | 153 Ų | 153 | 160.8 Ų | 160.8 | 72% | 0.715 | 79% | 0.791 | S | S | * | * | trans | -67.7 | 137.1 | 167.2 | -79.8 | 162.1 | -81.9 | 0 | 0 | 109.5 | ||||
| 92 | S | 37.6 | Very low | 36.2 | Very low | 111 Ų | 111 | 155.8 Ų | 155.8 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | trans | -151.6 | 118.5 | 140.6 | 13 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 93 | E | 34.3 | Very low | 36.6 | Very low | 186 Ų | 186 | 162.2 Ų | 162.2 | 87% | 0.869 | 80% | 0.798 | S | S | * | * | trans | -58 | 138.1 | 175 | -77 | 164.4 | 95.6 | 0 | 0 | 111 | ||||
| 94 | S | 36.8 | Very low | 36.1 | Very low | 115 Ų | 115 | 161.4 Ų | 161.4 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -146.2 | 145.4 | 163.1 | -76.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 95 | P | 44.2 | Very low | 36.7 | Very low | 122 Ų | 122 | 163.3 Ų | 163.3 | 79% | 0.792 | 80% | 0.804 | S | S | * | * | trans | -80.9 | 148.4 | -153.4 | 31.1 | -35.1 | 0 | 0 | 0 | 113.7 | R97 | P95-R97 PolarHBondContact O-N 3.13Š| ||
| 96 | N | 35.1 | Very low | 36.9 | Very low | 150 Ų | 150 | 159 Ų | 159 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | trans | -42.4 | 119.5 | 173 | -88.2 | -39.1 | 0 | 0 | 0 | 114 | ||||
| 97 | R | 38.1 | Very low | 37.4 | Very low | 239 Ų | 239 | 159.5 Ų | 159.5 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | trans | -129.2 | 112.7 | 145.4 | -73 | -169 | -170.3 | -173.6 | 4.2 | 109.3 | P95 H99 | P95-R97 PolarHBondContact O-N 3.13Å; R97-H99 PolarHBondContact O-N 3.06Å | ||
| 98 | R | 35.8 | Very low | 37.5 | Very low | 231 Ų | 231 | 162 Ų | 162 | 87% | 0.872 | 81% | 0.808 | S | S | * | * | trans | -63.1 | 121.8 | -175.8 | -65.9 | 173.5 | 177.6 | 178.1 | -1.6 | 110 | ||||
| 99 | H | 37.4 | Very low | 37.7 | Very low | 187 Ų | 187 | 162 Ų | 162 | 87% | 0.866 | 81% | 0.807 | S | S | * | * | trans | -67.2 | 125.3 | 162.5 | -79.4 | -88.7 | 0 | 0 | 0 | 109.3 | R97 S101 | R97-H99 PolarHBondContact O-N 3.06Å; H99-S101 PolarHBondContact O-N 2.91Å; H99-S101 VanDerWaalsContact O-N 3.17Å | ||
| 100 | T | 40.2 | Very low | 37.8 | Very low | 141 Ų | 141 | 159.8 Ų | 159.8 | 87% | 0.865 | 80% | 0.8 | S | S | * | * | trans | -65.9 | 111 | 168.8 | 50.1 | 0 | 0 | 0 | 0 | 108.8 | S102 | T100-S102 PolarHBondContact O-N 3.39Š| ||
| 101 | S | 39.5 | Very low | 37.8 | Very low | 93 Ų | 93 | 160.7 Ų | 160.7 | 65% | 0.65 | 80% | 0.801 | S | S | * | * | trans | -49.7 | 120.1 | 171 | 142.2 | 0 | 0 | 0 | 0 | 110.8 | H99 R103 | H99-S101 PolarHBondContact O-N 2.91Å; H99-S101 VanDerWaalsContact O-N 3.17Å; S101-R103 PolarHBondContact O-N 3.46Å | ||
| 102 | S | 41.8 | Very low | 38.2 | Very low | 119 Ų | 119 | 163.9 Ų | 163.9 | 83% | 0.832 | 81% | 0.813 | S | S | * | * | trans | -47.6 | 106.5 | 155.9 | 46.8 | 0 | 0 | 0 | 0 | 109.9 | T100 | T100-S102 PolarHBondContact O-N 3.39Š| ||
| 103 | R | 38.5 | Very low | 38.2 | Very low | 230 Ų | 230 | 161.6 Ų | 161.6 | 87% | 0.868 | 81% | 0.807 | S | S | * | * | trans | -98.5 | 123.7 | 169.1 | -118.1 | 174 | 178.2 | 161.1 | -1.6 | 108.9 | S101 | S101-R103 PolarHBondContact O-N 3.46Š| ||
| 104 | S | 40.4 | Very low | 38.8 | Very low | 87 Ų | 87 | 162.6 Ų | 162.6 | 61% | 0.608 | 81% | 0.811 | S | S | * | * | trans | -46.2 | 133.8 | 176.6 | 47 | 0 | 0 | 0 | 0 | 111.9 | D106 | S104-D106 WeakPolarHBondContact CB-OD2 3.36Å; S104-D106 PolarHBondContact O-N 3.31Å; S104-D106 PolarHBondContact OG-OD2 3.29Å | ||
| 105 | H | 40.4 | Very low | 38.4 | Very low | 194 Ų | 194 | 161 Ų | 161 | 90% | 0.898 | 81% | 0.812 | S | S | * | * | trans | -77 | 73.9 | 172.4 | -142 | -62.1 | 0 | 0 | 0 | 108.4 | F107 | H105-F107 PolarHBondContact O-N 2.59Š| ||
| 106 | D | 37.8 | Very low | 38.6 | Very low | 122 Ų | 122 | 160.5 Ų | 160.5 | 65% | 0.652 | 82% | 0.819 | S | S | * | * | trans | -73.3 | 120 | 170 | -80.2 | -80.1 | 0 | 0 | 0 | 109.3 | S104 R108 | S104-D106 WeakPolarHBondContact CB-OD2 3.36Å; S104-D106 PolarHBondContact O-N 3.31Å; S104-D106 PolarHBondContact OG-OD2 3.29Å; D106-R108 PolarHBondContact O-N 3.17Å; D106-R108 VanDerWaalsContact O-N 3.13Å | ||
| 107 | F | 44 | Very low | 38.6 | Very low | 211 Ų | 211 | 156 Ų | 156 | 93% | 0.925 | 81% | 0.808 | S | S | * | * | trans | -45.4 | 111 | 168.9 | -105.6 | -108.7 | 0 | 0 | 0 | 111.3 | H105 | H105-F107 PolarHBondContact O-N 2.59Š| ||
| 108 | R | 37.5 | Very low | 38.8 | Very low | 245 Ų | 245 | 148.6 Ų | 148.6 | 93% | 0.925 | 81% | 0.806 | S | S | * | * | trans | -133.5 | 114.1 | 157.1 | -82.4 | -168.6 | 173.2 | 176.2 | -2.1 | 111.7 | D106 | D106-R108 PolarHBondContact O-N 3.17Å; D106-R108 VanDerWaalsContact O-N 3.13Å | ||
| 109 | K | 34.9 | Very low | 39.2 | Very low | 173 Ų | 173 | 142.9 Ų | 142.9 | 75% | 0.752 | 79% | 0.793 | S | S | * | * | trans | -69.1 | 152.9 | 167.3 | -161.4 | -170.9 | -173.9 | -113 | 0 | 109.4 | ||||
| 110 | E | 33 | Very low | 39.7 | Very low | 131 Ų | 131 | 141.5 Ų | 141.5 | 61% | 0.612 | 79% | 0.787 | S | S | * | * | trans | 77.9 | 103.8 | 165.6 | -45.1 | -67.5 | 156.2 | 0 | 0 | 117.1 | ||||
| 111 | T | 34.2 | Very low | 40.2 | Very low | 135 Ų | 135 | 141.7 Ų | 141.7 | 83% | 0.828 | 78% | 0.783 | S | S | * | * | 160 | 133.9 | 108 | 37.9 | 0 | 0 | 0 | 0 | 111 | G113 | T111-G113 PolarHBondContact O-N 3.47Š| |||
| 112 | F | 41.1 | Very low | 40.5 | Very low | 220 Ų | 220 | 141.7 Ų | 141.7 | 97% | 0.965 | 79% | 0.788 | S | S | * | * | trans | -61.4 | 125.7 | 172.9 | -65.9 | -98.2 | 0 | 0 | 0 | 110.1 | ||||
| 113 | G | 36.2 | Very low | 41 | Very low | 63 Ų | 63 | 146.5 Ų | 146.5 | 65% | 0.649 | 79% | 0.788 | S | S | * | * | trans | 161.4 | 94.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115 | T111 | T111-G113 PolarHBondContact O-N 3.47Š| ||
| 114 | Q | 46.9 | Very low | 41.7 | Very low | 207 Ų | 207 | 137.8 Ų | 137.8 | 97% | 0.967 | 77% | 0.765 | S | S | * | * | trans | 55.9 | 102.1 | 142.2 | -65.8 | 155.1 | 26.7 | 0 | 0 | 118 | ||||
| 115 | G | 30 | Very low | 42.6 | Very low | 80 Ų | 80 | 137.9 Ų | 137.9 | 83% | 0.825 | 76% | 0.758 | S | S | * | * | trans | -149 | 119.4 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 116 | A | 46.8 | Very low | 43.7 | Very low | 113 Ų | 113 | 130 Ų | 130 | 93% | 0.934 | 72% | 0.724 | S | S | * | * | trans | -34.3 | 135.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 117 | G | 35.8 | Very low | 45.3 | Very low | 55 Ų | 55 | 129.9 Ų | 129.9 | 57% | 0.567 | 72% | 0.724 | S | S | * | * | trans | -173.1 | 70.6 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | D119 | G117-D119 PolarHBondContact O-N 3.46Š| ||
| 118 | G | 43 | Very low | 46.9 | Very low | 84 Ų | 84 | 123.2 Ų | 123.2 | 87% | 0.866 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | 84.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 119 | D | 44 | Very low | 49.1 | Very low | 111 Ų | 111 | 111.9 Ų | 111.9 | 59% | 0.594 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -169.4 | 1.4 | 158.7 | 59.9 | -85.2 | 0 | 0 | 0 | 114.5 | G117 | G117-D119 PolarHBondContact O-N 3.46Š|
| 120 | E | 48.7 | Very low | 51.5 | Low | 157 Ų | 157 | 108 Ų | 108 | 73% | 0.734 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -86.7 | -24 | 178.2 | -63 | -158.8 | 117.9 | 0 | 0 | 114.4 | ||
| 121 | D | 49.8 | Very low | 54.1 | Low | 146 Ų | 146 | 101.8 Ų | 101.8 | 78% | 0.781 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | -24.1 | -179.6 | -88.8 | -84.9 | 0 | 0 | 0 | 114 | ||
| 122 | A | 45.5 | Very low | 56.8 | Low | 92 Ų | 92 | 95.4 Ų | 95.4 | 76% | 0.76 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | -16.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 123 | R | 51.7 | Low | 59.1 | Low | 221 Ų | 221 | 85 Ų | 85 | 83% | 0.834 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | -11.6 | 174.5 | -75.7 | -178.6 | 169.3 | 137.7 | -2.6 | 113.3 | ||
| 124 | A | 55 | Low | 61.7 | Low | 47 Ų | 47 | 82 Ų | 82 | 39% | 0.388 | 50% | 0.5 | S | S | . | . | S | Bend | trans | -93.7 | -12.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | P126 D204 | A124-P126 WeakPolarHBondContact O-CD 3.45Å; A124-D204 VanDerWaalsContact O-OD1 3.07Å; A124-D204 VanDerWaalsContact O-OD2 3.14Å |
| 125 | N | 57.4 | Low | 63.8 | Low | 88 Ų | 88 | 75.3 Ų | 75.3 | 47% | 0.471 | 47% | 0.467 | S | S | . | . | trans | -104.5 | 85.3 | -175.7 | -143.6 | 14.8 | 0 | 0 | 0 | 110.4 | M188 F205 | N125-M188 WeakPolarHBondContact OD1-CE 3.23Å; N125-F205 WeakPolarHBondContact OD1-CD2 3.33Å | ||
| 126 | P | 64.8 | Low | 66.5 | Low | 28 Ų | 28 | 73.2 Ų | 73.2 | 18% | 0.182 | 45% | 0.446 | C | S | . | . | trans | -63.9 | 159.5 | 174.9 | 28.5 | -33.7 | 0 | 0 | 0 | 110.3 | A124 F205 I207 | A124-P126 WeakPolarHBondContact O-CD 3.45Å; P126-F205 WeakPolarHBondContact CD-O 3.43Å; P126-F205 HydrophobicContact CG-CB 3.75Å; P126-F205 WeakPolarHBondContact CG-O 3.42Å; P126-I207 HydrophobicContact CB-CG1 3.89Å; P126-I207 HydrophobicContact CG-CG1 3.9Å | ||
| 127 | D | 71.8 | Confident | 68.5 | Low | 121 Ų | 121 | 67.9 Ų | 67.9 | 65% | 0.647 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -45.1 | 135.4 | -177 | -65.1 | -86.2 | 0 | 0 | 0 | 112.1 | N129 | D127-N129 PolarHBondContact O-N 2.99Å; D127-N129 VanDerWaalsContact O-N 3.16Å; D127-N129 PolarHBondContact O-ND2 2.77Å |
| 128 | P | 77.4 | Confident | 71 | Confident | 70 Ų | 70 | 65.8 Ų | 65.8 | 46% | 0.455 | 38% | 0.379 | S | S | . | . | trans | -54.6 | 126 | -177.6 | 22.5 | -33.1 | 0 | 0 | 0 | 109.6 | I181 F205 | P128-I181 HydrophobicContact CB-CG2 4.21Å; P128-F205 HydrophobicContact CB-CE1 4.08Å; P128-F205 HydrophobicContact CB-CE2 4.02Å; P128-F205 HydrophobicContact CB-CZ 3.75Å | ||
| 129 | N | 83.4 | Confident | 73.1 | Confident | 7 Ų | 7 | 65.6 Ų | 65.6 | 4% | 0.037 | 36% | 0.358 | C | S | . | . | trans | -143.4 | 170.6 | -177.1 | 64 | 76.1 | 0 | 0 | 0 | 111.2 | D127 C131 S184 S206 K209 | D127-N129 PolarHBondContact O-N 2.99Å; D127-N129 VanDerWaalsContact O-N 3.16Å; D127-N129 PolarHBondContact O-ND2 2.77Å; N129-C131 PolarHBondContact O-N 3.26Å; N129-C131 WeakPolarHBondContact OD1-CA 3.33Å; N129-C131 WeakPolarHBondContact OD1-CB 3.46Å; N129-C131 PolarHBondContact OD1-N 3.32Å; N129-C131 PolarHBondContact OD1-O 3.34Å; N129-S184 WeakPolarHBondContact O-CB 3.28Å; N129-S184 PolarHBondContact O-OG 3.25Å; N129-S206 PolarHBondContact ND2-O 2.98Å; N129-K209 HydrophobicContact CB-CG 4.19Å | ||
| 130 | Q | 85.6 | Confident | 75.1 | Confident | 91 Ų | 91 | 69.7 Ų | 69.7 | 43% | 0.425 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -69.3 | -9.4 | -177.6 | -73.7 | 165.2 | -32.6 | 0 | 0 | 113.7 | Y177 F178 E179 I181 | Q130-Y177 CarbonylContact O-C 3.59Å; Q130-Y177 WeakPolarHBondContact O-CA 3.42Å; Q130-F178 WeakPolarHBondContact CB-O 3.16Å; Q130-F178 PolarHBondContact O-N 3.4Å; Q130-E179 PolarHBondContact NE2-O 3.3Å; Q130-I181 HydrophobicContact CG-CG1 3.63Å |
| 131 | C | 87.6 | Confident | 76.9 | Confident | 2 Ų | 2 | 62.4 Ų | 62.4 | 1% | 0.014 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 115.6 | -174.8 | -175.6 | 0 | 0 | 0 | 0 | 110.9 | N129 V176 Y177 S206 | N129-C131 PolarHBondContact O-N 3.26Å; N129-C131 WeakPolarHBondContact OD1-CA 3.33Å; N129-C131 WeakPolarHBondContact OD1-CB 3.46Å; N129-C131 PolarHBondContact OD1-N 3.32Å; N129-C131 PolarHBondContact OD1-O 3.34Å; C131-V176 CarbonylContact C-O 3.56Å; C131-V176 WeakPolarHBondContact CA-O 3.29Å; C131-Y177 HydrophobicContact CB-CD1 3.95Å; C131-Y177 HydrophobicContact CB-CE1 3.98Å; C131-Y177 WeakPolarHBondContact SG-CE1 3.43Å; C131-S206 WeakPolarHBondContact O-CB 3.36Å; C131-S206 PolarHBondContact O-N 2.85Å; C131-S206 VanDerWaalsContact SG-CB 3.51Å |
| 132 | L | 89.8 | Confident | 78.8 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 129.6 | 173.8 | -59.4 | -175.1 | 0 | 0 | 0 | 110.6 | F175 V176 F178 S184 A187 M188 V203 F205 | L132-F175 CarbonylContact O-C 3.51Å; L132-F175 WeakPolarHBondContact O-CA 3.42Å; L132-V176 PolarHBondContact N-O 3.01Å; L132-V176 PolarHBondContact O-N 3.38Å; L132-F178 HydrophobicContact CD1-CD2 4.16Å; L132-F178 HydrophobicContact CD1-CE2 3.55Å; L132-F178 HydrophobicContact CD1-CZ 4.35Å; L132-F178 HydrophobicContact CG-CD2 4.27Å; L132-F178 HydrophobicContact CG-CE2 4.07Å; L132-S184 VanDerWaalsContact CD1-O 3.28Å; L132-S184 WeakPolarHBondContact CD1-O 3.28Å; L132-A187 HydrophobicContact CD1-CB 3.86Å; L132-M188 HydrophobicContact CD1-CB 4.41Å; L132-M188 HydrophobicContact CD2-CB 4.21Å; L132-V203 HydrophobicContact CB-CG1 3.98Å; L132-V203 HydrophobicContact CD1-CG1 3.85Å; L132-V203 HydrophobicContact CG-CG1 4.34Å; L132-F205 HydrophobicContact CD2-CD1 3.41Å; L132-F205 VanDerWaalsContact CD2-CD1 3.41Å; L132-F205 HydrophobicContact CD2-CE1 3.61Å; L132-F205 HydrophobicContact CD2-CG 4.28Å |
| 133 | G | 90.8 | Very high | 80.9 | Confident | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.01 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 120.8 | 166 | 0 | 0 | 0 | 0 | 0 | 110 | V203 D204 | G133-V203 WeakPolarHBondContact O-CA 3.43Å; G133-D204 PolarHBondContact N-O 2.84Å; G133-D204 PolarHBondContact O-N 2.87Å |
| 134 | V | 90.2 | Very high | 82.7 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 118.6 | 175.9 | -170.2 | 0 | 0 | 0 | 0 | 108.6 | L137 F150 F173 A174 V176 I201 V203 | V134-L137 HydrophobicContact CB-CD1 4.45Å; V134-L137 HydrophobicContact CG1-CD1 4.25Å; V134-L137 HydrophobicContact CG1-CD2 3.61Å; V134-L137 HydrophobicContact CG1-CG 4.01Å; V134-F150 HydrophobicContact CB-CZ 4.44Å; V134-F150 HydrophobicContact CG1-CE2 4.22Å; V134-F150 HydrophobicContact CG1-CZ 4.04Å; V134-F150 HydrophobicContact CG2-CE1 4.21Å; V134-F150 HydrophobicContact CG2-CE2 3.79Å; V134-F150 HydrophobicContact CG2-CZ 3.48Å; V134-F150 VanDerWaalsContact CG2-CZ 3.48Å; V134-F173 CarbonylContact O-C 3.57Å; V134-F173 WeakPolarHBondContact O-CA 3.21Å; V134-F173 WeakPolarHBondContact O-CB 3.04Å; V134-A174 PolarHBondContact N-O 3.43Å; V134-A174 PolarHBondContact O-N 3.42Å; V134-V176 HydrophobicContact CG2-CG2 3.89Å; V134-I201 HydrophobicContact CG1-CB 4.25Å; V134-I201 HydrophobicContact CG1-CD1 4.22Å; V134-V203 HydrophobicContact CG1-CG2 4.29Å; V134-V203 HydrophobicContact CG2-CG2 4.39Å |
| 135 | F | 90 | Very high | 84.4 | Confident | 67 Ų | 67 | 54.1 Ų | 54.1 | 29% | 0.294 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 155.6 | -177.4 | -55.1 | -84.6 | 0 | 0 | 0 | 111 | F173 I201 R202 D204 | F135-F173 HydrophobicContact CD1-CB 3.92Å; F135-F173 HydrophobicContact CE1-CB 4.45Å; F135-I201 CarbonylContact O-C 3.6Å; F135-I201 WeakPolarHBondContact O-CA 3.27Å; F135-R202 HydrophobicContact CB-CB 4.36Å; F135-R202 PolarHBondContact N-O 3.16Å; F135-R202 PolarHBondContact O-N 2.69Å; F135-D204 HydrophobicContact CE2-CB 4.08Å |
| 136 | G | 87.3 | Confident | 86 | Confident | 37 Ų | 37 | 50 Ų | 50 | 38% | 0.381 | 26% | 0.256 | S | S | . | . | S | Bend | trans | 82.2 | 18.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | G172 R199 | G136-G172 PolarHBondContact N-O 2.82Å; G136-R199 WeakPolarHBondContact O-CB 3.39Å |
| 137 | L | 89.8 | Confident | 87.3 | Confident | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | trans | -65.2 | 156.1 | 177.9 | -61.5 | 176.7 | 0 | 0 | 0 | 111.9 | V134 T141 L146 G172 A174 L196 R199 I201 | V134-L137 HydrophobicContact CB-CD1 4.45Å; V134-L137 HydrophobicContact CG1-CD1 4.25Å; V134-L137 HydrophobicContact CG1-CD2 3.61Å; V134-L137 HydrophobicContact CG1-CG 4.01Å; L137-T141 HydrophobicContact CD2-CG2 4.41Å; L137-L146 HydrophobicContact CD1-CD1 3.85Å; L137-L146 HydrophobicContact CD1-CD2 3.91Å; L137-L146 HydrophobicContact CD1-CG 4.45Å; L137-L146 HydrophobicContact CD2-CD2 3.71Å; L137-L146 HydrophobicContact CG-CD2 4.49Å; L137-G172 PolarHBondContact N-O 3.4Å; L137-A174 HydrophobicContact CD1-CB 3.64Å; L137-L196 HydrophobicContact CD2-CD2 4.11Å; L137-R199 PolarHBondContact O-NH1 2.79Å; L137-I201 HydrophobicContact CD2-CB 4.49Å; L137-I201 HydrophobicContact CD2-CG2 3.74Å | ||
| 138 | S | 88.3 | Confident | 88.2 | Confident | 11 Ų | 11 | 53.9 Ų | 53.9 | 8% | 0.077 | 26% | 0.263 | C | S | . | . | trans | -70.5 | 153.6 | 168.7 | -170.4 | 0 | 0 | 0 | 0 | 110.4 | Y140 T141 D197 | S138-Y140 PolarHBondContact O-N 3.43Å; S138-T141 VanDerWaalsContact CB-OG1 3.31Å; S138-T141 WeakPolarHBondContact CB-OG1 3.46Å; S138-T141 PolarHBondContact N-OG1 3.45Å; S138-T141 WeakPolarHBondContact O-CB 3.39Å; S138-T141 PolarHBondContact O-N 2.8Å; S138-T141 PolarHBondContact O-OG1 2.94Å; S138-D197 VanDerWaalsContact CB-CB 3.47Å | ||
| 139 | L | 85.4 | Confident | 88.7 | Confident | 80 Ų | 80 | 51.9 Ų | 51.9 | 42% | 0.419 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -19.6 | 176.8 | -62.2 | 171.6 | 0 | 0 | 0 | 111.9 | S170 | L139-S170 WeakPolarHBondContact CD2-O 3.26Š|
| 140 | Y | 86.6 | Confident | 89 | Confident | 197 Ų | 197 | 51.6 Ų | 51.6 | 77% | 0.773 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | -13.8 | -179.8 | -55.9 | -72.4 | 0 | 0 | 0 | 113 | S138 T142 | S138-Y140 PolarHBondContact O-N 3.43Å; Y140-T142 PolarHBondContact O-N 3.19Å |
| 141 | T | 86.8 | Confident | 89.2 | Confident | 3 Ų | 3 | 49.1 Ų | 49.1 | 2% | 0.018 | 25% | 0.246 | C | C | . | . | trans | -65.4 | 125.4 | 179 | -53.4 | 0 | 0 | 0 | 0 | 109.8 | L137 S138 D145 L146 L196 D197 | L137-T141 HydrophobicContact CD2-CG2 4.41Å; S138-T141 VanDerWaalsContact CB-OG1 3.31Å; S138-T141 WeakPolarHBondContact CB-OG1 3.46Å; S138-T141 PolarHBondContact N-OG1 3.45Å; S138-T141 WeakPolarHBondContact O-CB 3.39Å; S138-T141 PolarHBondContact O-N 2.8Å; S138-T141 PolarHBondContact O-OG1 2.94Å; T141-D145 HydrophobicContact CG2-CB 4.16Å; T141-L146 HydrophobicContact CG2-CD2 3.98Å; T141-L146 HydrophobicContact CG2-CG 3.97Å; T141-L196 HydrophobicContact CG2-CD2 3.39Å; T141-L196 VanDerWaalsContact OG1-CD2 3.32Å; T141-L196 WeakPolarHBondContact OG1-CD2 3.37Å; T141-D197 PolarHBondContact OG1-OD2 2.86Å | ||
| 142 | T | 89.4 | Confident | 89.3 | Confident | 61 Ų | 61 | 58.9 Ų | 58.9 | 37% | 0.374 | 28% | 0.283 | S | S | . | . | trans | -100.7 | 169.3 | 178.8 | 72.8 | 0 | 0 | 0 | 0 | 112 | Y140 K144 D145 L146 | Y140-T142 PolarHBondContact O-N 3.19Å; T142-K144 PolarHBondContact O-N 3.28Å; T142-K144 PolarHBondContact OG1-N 3.27Å; T142-D145 WeakPolarHBondContact CB-OD2 3.49Å; T142-D145 PolarHBondContact N-OD2 2.94Å; T142-D145 PolarHBondContact O-N 3.04Å; T142-D145 PolarHBondContact OG1-OD2 3.44Å; T142-L146 PolarHBondContact O-N 2.75Å | ||
| 143 | E | 89.7 | Confident | 89.2 | Confident | 73 Ų | 73 | 60.5 Ų | 60.5 | 34% | 0.341 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -55.3 | -35.5 | 172.2 | -167.8 | -167.4 | 110.7 | 0 | 0 | 112 | L146 R147 V159 V161 | E143-L146 PolarHBondContact O-N 3.47Å; E143-R147 WeakPolarHBondContact O-CB 3.02Å; E143-R147 PolarHBondContact O-N 3.36Å; E143-R147 IonicContact OE1-CZ 3.77Å; E143-R147 IonicContact OE1-NH2 3.96Å; E143-R147 PolarHBondContact OE1-NH2 3.05Å; E143-V159 HydrophobicContact CG-CB 3.49Å; E143-V159 VanDerWaalsContact CG-CB 3.49Å; E143-V159 HydrophobicContact CG-CG1 3.6Å; E143-V159 HydrophobicContact CG-CG2 4.5Å; E143-V159 VanDerWaalsContact OE2-O 3.12Å; E143-V161 HydrophobicContact CB-CG2 4.08Å |
| 144 | K | 90.8 | Very high | 89.1 | Confident | 141 Ų | 141 | 61.1 Ų | 61.1 | 61% | 0.613 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -64.5 | -45.5 | -178.2 | -169.1 | -167.7 | 172.1 | -156.6 | 0 | 111.3 | T142 L146 R147 E148 | T142-K144 PolarHBondContact O-N 3.28Å; T142-K144 PolarHBondContact OG1-N 3.27Å; K144-L146 VanDerWaalsContact C-N 3.32Å; K144-L146 PolarHBondContact O-N 3.2Å; K144-R147 WeakPolarHBondContact O-CB 3.43Å; K144-R147 PolarHBondContact O-N 3.2Å; K144-R147 VanDerWaalsContact O-N 3.13Å; K144-E148 VanDerWaalsContact CE-OE2 3.26Å; K144-E148 WeakPolarHBondContact CE-OE2 3.48Å; K144-E148 IonicContact NZ-OE2 3.02Å; K144-E148 WeakPolarHBondContact O-CG 3.47Å; K144-E148 PolarHBondContact O-N 2.91Å |
| 145 | D | 90.4 | Very high | 89.1 | Confident | 58 Ų | 58 | 64.1 Ų | 64.1 | 31% | 0.31 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.4 | -43.7 | 178.5 | -56.7 | -72.5 | 0 | 0 | 0 | 111 | T141 T142 R147 E148 V149 | T141-D145 HydrophobicContact CG2-CB 4.16Å; T142-D145 WeakPolarHBondContact CB-OD2 3.49Å; T142-D145 PolarHBondContact N-OD2 2.94Å; T142-D145 PolarHBondContact O-N 3.04Å; T142-D145 PolarHBondContact OG1-OD2 3.44Å; D145-R147 VanDerWaalsContact C-N 3.32Å; D145-R147 PolarHBondContact O-N 3.05Å; D145-E148 PolarHBondContact O-N 3.14Å; D145-V149 WeakPolarHBondContact O-CG2 3.44Å; D145-V149 PolarHBondContact O-N 3.2Å |
| 146 | L | 90.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.5 | -41.6 | 175.3 | -63.9 | 173.5 | 0 | 0 | 0 | 111.2 | L137 T141 T142 E143 K144 E148 V149 F150 V159 V161 A174 | L137-L146 HydrophobicContact CD1-CD1 3.85Å; L137-L146 HydrophobicContact CD1-CD2 3.91Å; L137-L146 HydrophobicContact CD1-CG 4.45Å; L137-L146 HydrophobicContact CD2-CD2 3.71Å; L137-L146 HydrophobicContact CG-CD2 4.49Å; T141-L146 HydrophobicContact CG2-CD2 3.98Å; T141-L146 HydrophobicContact CG2-CG 3.97Å; T142-L146 PolarHBondContact O-N 2.75Å; E143-L146 PolarHBondContact O-N 3.47Å; K144-L146 VanDerWaalsContact C-N 3.32Å; K144-L146 PolarHBondContact O-N 3.2Å; L146-E148 VanDerWaalsContact C-N 3.33Å; L146-E148 PolarHBondContact O-N 3.07Å; L146-V149 PolarHBondContact O-N 3.23Å; L146-F150 HydrophobicContact CB-CD2 4.29Å; L146-F150 HydrophobicContact CD2-CD2 4.3Å; L146-F150 HydrophobicContact CD2-CE2 3.92Å; L146-F150 VanDerWaalsContact O-CB 3.31Å; L146-F150 WeakPolarHBondContact O-CB 3.48Å; L146-F150 VanDerWaalsContact O-CD2 3.29Å; L146-F150 WeakPolarHBondContact O-CD2 3.36Å; L146-F150 PolarHBondContact O-N 2.83Å; L146-V159 HydrophobicContact CB-CG1 4.06Å; L146-V159 HydrophobicContact CD1-CG1 3.95Å; L146-V161 HydrophobicContact CD1-CG2 3.81Å; L146-A174 HydrophobicContact CD1-CB 3.41Å; L146-A174 VanDerWaalsContact CD1-CB 3.41Å |
| 147 | R | 91.6 | Very high | 89.3 | Confident | 128 Ų | 128 | 64.1 Ų | 64.1 | 48% | 0.483 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.4 | -40.4 | 176.8 | -170.6 | -175.9 | -68.4 | -134.2 | 2.5 | 111.7 | E143 K144 D145 G151 L156 | E143-R147 WeakPolarHBondContact O-CB 3.02Å; E143-R147 PolarHBondContact O-N 3.36Å; E143-R147 IonicContact OE1-CZ 3.77Å; E143-R147 IonicContact OE1-NH2 3.96Å; E143-R147 PolarHBondContact OE1-NH2 3.05Å; K144-R147 WeakPolarHBondContact O-CB 3.43Å; K144-R147 PolarHBondContact O-N 3.2Å; K144-R147 VanDerWaalsContact O-N 3.13Å; D145-R147 VanDerWaalsContact C-N 3.32Å; D145-R147 PolarHBondContact O-N 3.05Å; R147-G151 VanDerWaalsContact O-CA 3.27Å; R147-G151 WeakPolarHBondContact O-CA 3.35Å; R147-G151 PolarHBondContact O-N 3.05Å; R147-L156 HydrophobicContact CB-CD1 4.35Å; R147-L156 HydrophobicContact CG-CD1 3.91Å |
| 148 | E | 90.3 | Very high | 89.2 | Confident | 104 Ų | 104 | 65 Ų | 65 | 49% | 0.486 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -69.4 | -34.2 | 178.3 | -72.4 | -175.6 | 71.8 | 0 | 0 | 113 | K144 D145 L146 R152 | K144-E148 VanDerWaalsContact CE-OE2 3.26Å; K144-E148 WeakPolarHBondContact CE-OE2 3.48Å; K144-E148 IonicContact NZ-OE2 3.02Å; K144-E148 WeakPolarHBondContact O-CG 3.47Å; K144-E148 PolarHBondContact O-N 2.91Å; D145-E148 PolarHBondContact O-N 3.14Å; L146-E148 VanDerWaalsContact C-N 3.33Å; L146-E148 PolarHBondContact O-N 3.07Å; E148-R152 WeakPolarHBondContact O-CG 3.32Å; E148-R152 PolarHBondContact O-NE 3.3Å |
| 149 | V | 89.4 | Confident | 89.3 | Confident | 28 Ų | 28 | 65 Ų | 65 | 17% | 0.17 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -79.5 | -50.6 | 178.4 | 173 | 0 | 0 | 0 | 0 | 111.3 | D145 L146 R152 Y153 M194 L196 | D145-V149 WeakPolarHBondContact O-CG2 3.44Å; D145-V149 PolarHBondContact O-N 3.2Å; L146-V149 PolarHBondContact O-N 3.23Å; V149-R152 PolarHBondContact O-N 2.68Å; V149-Y153 WeakPolarHBondContact O-CE2 3.31Å; V149-M194 HydrophobicContact CG1-SD 4.18Å; V149-L196 HydrophobicContact CB-CD1 4.36Å; V149-L196 HydrophobicContact CG1-CD1 4.37Å; V149-L196 HydrophobicContact CG2-CD1 3.73Å |
| 150 | F | 89.6 | Confident | 89.5 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -77 | -24.8 | -177 | -73.4 | -81.2 | 0 | 0 | 0 | 113 | V134 L146 R152 Y153 L156 V176 F178 A187 A191 I201 V203 | V134-F150 HydrophobicContact CB-CZ 4.44Å; V134-F150 HydrophobicContact CG1-CE2 4.22Å; V134-F150 HydrophobicContact CG1-CZ 4.04Å; V134-F150 HydrophobicContact CG2-CE1 4.21Å; V134-F150 HydrophobicContact CG2-CE2 3.79Å; V134-F150 HydrophobicContact CG2-CZ 3.48Å; V134-F150 VanDerWaalsContact CG2-CZ 3.48Å; L146-F150 HydrophobicContact CB-CD2 4.29Å; L146-F150 HydrophobicContact CD2-CD2 4.3Å; L146-F150 HydrophobicContact CD2-CE2 3.92Å; L146-F150 VanDerWaalsContact O-CB 3.31Å; L146-F150 WeakPolarHBondContact O-CB 3.48Å; L146-F150 VanDerWaalsContact O-CD2 3.29Å; L146-F150 WeakPolarHBondContact O-CD2 3.36Å; L146-F150 PolarHBondContact O-N 2.83Å; F150-R152 PolarHBondContact O-N 3.42Å; F150-Y153 HydrophobicContact CD1-CD2 4.39Å; F150-Y153 PolarHBondContact O-N 3.35Å; F150-Y153 VanDerWaalsContact O-N 3.15Å; F150-L156 HydrophobicContact CB-CD1 4.16Å; F150-L156 HydrophobicContact CB-CD2 4.19Å; F150-V176 HydrophobicContact CB-CG1 4.24Å; F150-V176 HydrophobicContact CD2-CG2 4.16Å; F150-V176 HydrophobicContact CE2-CG2 4.47Å; F150-V176 HydrophobicContact CG-CG1 4.43Å; F150-V176 HydrophobicContact CG-CG2 4.38Å; F150-F178 HydrophobicContact CB-CZ 4.11Å; F150-F178 HydrophobicContact CD1-CZ 4.16Å; F150-A187 HydrophobicContact CD1-CB 4.34Å; F150-A191 HydrophobicContact CD1-CB 4.48Å; F150-A191 HydrophobicContact CE1-CB 3.67Å; F150-A191 HydrophobicContact CZ-CB 4.11Å; F150-I201 HydrophobicContact CZ-CD1 4.11Å; F150-V203 HydrophobicContact CE1-CG1 4.48Å; F150-V203 HydrophobicContact CE1-CG2 4.17Å; F150-V203 HydrophobicContact CZ-CG2 3.96Å |
| 151 | G | 88.4 | Confident | 89.7 | Confident | 39 Ų | 39 | 55.1 Ų | 55.1 | 40% | 0.402 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -11.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | R147 Y153 | R147-G151 VanDerWaalsContact O-CA 3.27Å; R147-G151 WeakPolarHBondContact O-CA 3.35Å; R147-G151 PolarHBondContact O-N 3.05Å; G151-Y153 VanDerWaalsContact C-N 3.31Å |
| 152 | R | 89.9 | Confident | 89.7 | Confident | 207 Ų | 207 | 56.7 Ų | 56.7 | 78% | 0.781 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -23.8 | 173.2 | -61.8 | 177.8 | -174.3 | -163.7 | -1.4 | 112.9 | E148 V149 F150 | E148-R152 WeakPolarHBondContact O-CG 3.32Å; E148-R152 PolarHBondContact O-NE 3.3Å; V149-R152 PolarHBondContact O-N 2.68Å; F150-R152 PolarHBondContact O-N 3.42Å |
| 153 | Y | 88.1 | Confident | 89.6 | Confident | 35 Ų | 35 | 59.5 Ų | 59.5 | 14% | 0.137 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -26.2 | -178.3 | -53.8 | -73.4 | 0 | 0 | 0 | 112.2 | V149 F150 G151 A187 R190 A191 M194 | V149-Y153 WeakPolarHBondContact O-CE2 3.31Å; F150-Y153 HydrophobicContact CD1-CD2 4.39Å; F150-Y153 PolarHBondContact O-N 3.35Å; F150-Y153 VanDerWaalsContact O-N 3.15Å; G151-Y153 VanDerWaalsContact C-N 3.31Å; Y153-A187 HydrophobicContact CD2-CB 3.89Å; Y153-A187 HydrophobicContact CG-CB 3.87Å; Y153-R190 HydrophobicContact CD1-CB 4.36Å; Y153-R190 HydrophobicContact CE1-CB 3.62Å; Y153-R190 HydrophobicContact CE1-CG 4.35Å; Y153-A191 HydrophobicContact CE2-CB 4.13Å; Y153-M194 WeakPolarHBondContact OH-CE 3.38Å |
| 154 | G | 88.5 | Confident | 89.3 | Confident | 14 Ų | 14 | 58 Ų | 58 | 14% | 0.144 | 30% | 0.297 | C | S | . | . | S | Bend | trans | 173.6 | 175.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | L156 | G154-L156 PolarHBondContact O-N 3.23Š|
| 155 | P | 91.1 | Very high | 88.7 | Confident | 62 Ų | 62 | 59 Ų | 59 | 40% | 0.403 | 30% | 0.304 | S | S | . | . | trans | -64.5 | 129.6 | 176.2 | 27.5 | -35.6 | 0 | 0 | 0 | 112 | E179 D183 | P155-E179 HydrophobicContact CB-CG 4.27Å; P155-E179 VanDerWaalsContact CB-OE2 3.3Å; P155-E179 WeakPolarHBondContact CB-OE2 3.43Å; P155-E179 HydrophobicContact CG-CB 4.26Å; P155-E179 PolarHBondContact O-N 2.96Å; P155-E179 VanDerWaalsContact O-N 3.09Å; P155-D183 WeakPolarHBondContact CD-OD2 3.41Å | ||
| 156 | L | 91.2 | Very high | 88.1 | Confident | 36 Ų | 36 | 66.2 Ų | 66.2 | 19% | 0.188 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 124.5 | -178.4 | -59.7 | 177.1 | 0 | 0 | 0 | 110.3 | R147 F150 G154 G158 V159 V176 Y177 F178 | R147-L156 HydrophobicContact CB-CD1 4.35Å; R147-L156 HydrophobicContact CG-CD1 3.91Å; F150-L156 HydrophobicContact CB-CD1 4.16Å; F150-L156 HydrophobicContact CB-CD2 4.19Å; G154-L156 PolarHBondContact O-N 3.23Å; L156-G158 VanDerWaalsContact C-N 3.35Å; L156-V159 HydrophobicContact CD1-CG2 4.21Å; L156-V176 HydrophobicContact CD2-CG1 3.56Å; L156-Y177 CarbonylContact C-O 3.52Å; L156-Y177 WeakPolarHBondContact CA-O 3.34Å; L156-F178 HydrophobicContact CD2-CD1 3.59Å; L156-F178 HydrophobicContact CD2-CD2 4.16Å; L156-F178 HydrophobicContact CD2-CE1 3.3Å; L156-F178 HydrophobicContact CD2-CE2 3.9Å; L156-F178 HydrophobicContact CD2-CG 4.01Å; L156-F178 HydrophobicContact CD2-CZ 3.48Å; L156-F178 VanDerWaalsContact CD2-CZ 3.48Å |
| 157 | A | 89.8 | Confident | 87.7 | Confident | 68 Ų | 68 | 69.4 Ų | 69.4 | 56% | 0.562 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.1 | -31.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y177 E179 | A157-Y177 PolarHBondContact N-O 3.05Å; A157-E179 HydrophobicContact CB-CG 4.2Å |
| 158 | G | 87.5 | Confident | 87.1 | Confident | 20 Ų | 20 | 66.1 Ų | 66.1 | 21% | 0.206 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 174.7 | 164 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L156 Y177 | L156-G158 VanDerWaalsContact C-N 3.35Å; G158-Y177 PolarHBondContact N-O 2.82Å; G158-Y177 PolarHBondContact O-N 3.37Å |
| 159 | V | 91.2 | Very high | 86.7 | Confident | 12 Ų | 12 | 69.4 Ų | 69.4 | 7% | 0.073 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 139.3 | 176.1 | -178.2 | 0 | 0 | 0 | 0 | 107.6 | E143 L146 L156 F175 V176 | E143-V159 HydrophobicContact CG-CB 3.49Å; E143-V159 VanDerWaalsContact CG-CB 3.49Å; E143-V159 HydrophobicContact CG-CG1 3.6Å; E143-V159 HydrophobicContact CG-CG2 4.5Å; E143-V159 VanDerWaalsContact OE2-O 3.12Å; L146-V159 HydrophobicContact CB-CG1 4.06Å; L146-V159 HydrophobicContact CD1-CG1 3.95Å; L156-V159 HydrophobicContact CD1-CG2 4.21Å; V159-F175 CarbonylContact C-O 3.53Å; V159-F175 WeakPolarHBondContact CA-O 3.34Å; V159-V176 HydrophobicContact CG1-CG2 4.2Å; V159-V176 HydrophobicContact CG2-CG1 4.29Å; V159-V176 HydrophobicContact CG2-CG2 4.4Å |
| 160 | N | 89.7 | Confident | 86.6 | Confident | 62 Ų | 62 | 68.4 Ų | 68.4 | 33% | 0.332 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 107.9 | 179.7 | -176.2 | 3.3 | 0 | 0 | 0 | 109.8 | A174 F175 Y177 | N160-A174 CarbonylContact O-C 3.55Å; N160-A174 VanDerWaalsContact O-CA 3.28Å; N160-A174 WeakPolarHBondContact O-CA 3Å; N160-F175 PolarHBondContact N-O 3Å; N160-F175 PolarHBondContact O-N 3.35Å; N160-Y177 HydrophobicContact CB-CE2 4.34Å |
| 161 | V | 89.9 | Confident | 86.3 | Confident | 6 Ų | 6 | 72.7 Ų | 72.7 | 4% | 0.036 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 130 | 175.8 | -177.3 | 0 | 0 | 0 | 0 | 109.3 | E143 L146 Y163 A174 | E143-V161 HydrophobicContact CB-CG2 4.08Å; L146-V161 HydrophobicContact CD1-CG2 3.81Å; V161-Y163 HydrophobicContact CB-CE2 3.74Å; V161-Y163 HydrophobicContact CG1-CE1 4.1Å; V161-Y163 HydrophobicContact CG1-CE2 3.9Å; V161-Y163 WeakPolarHBondContact O-CD2 3.44Å; V161-Y163 VanDerWaalsContact O-CE2 3.28Å; V161-Y163 WeakPolarHBondContact O-CE2 3.49Å; V161-A174 HydrophobicContact CB-CB 4.43Å; V161-A174 HydrophobicContact CG2-CB 4.03Å |
| 162 | V | 87.3 | Confident | 86.3 | Confident | 36 Ų | 36 | 71.2 Ų | 71.2 | 22% | 0.218 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 116.3 | -178.6 | -175 | 0 | 0 | 0 | 0 | 110.7 | R171 F173 F175 | V162-R171 WeakPolarHBondContact O-CB 3.13Å; V162-R171 PolarHBondContact O-N 3.17Å; V162-F173 HydrophobicContact CB-CD2 3.84Å; V162-F173 HydrophobicContact CB-CE1 4.33Å; V162-F173 HydrophobicContact CB-CE2 3.32Å; V162-F173 HydrophobicContact CB-CZ 3.58Å; V162-F173 HydrophobicContact CG1-CE1 4.34Å; V162-F173 HydrophobicContact CG1-CE2 3.66Å; V162-F173 HydrophobicContact CG1-CZ 3.48Å; V162-F173 VanDerWaalsContact CG1-CZ 3.48Å; V162-F173 HydrophobicContact CG2-CD2 3.78Å; V162-F173 HydrophobicContact CG2-CE2 3.31Å; V162-F173 HydrophobicContact CG2-CZ 4.06Å; V162-F173 PolarHBondContact N-O 3.4Å; V162-F173 VanDerWaalsContact N-O 3.12Å; V162-F175 HydrophobicContact CG2-CD2 4.05Å; V162-F175 HydrophobicContact CG2-CE2 3.95Å |
| 163 | Y | 86.9 | Confident | 86.2 | Confident | 120 Ų | 120 | 62.4 Ų | 62.4 | 47% | 0.471 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 146.5 | 176.1 | -58.2 | -86.4 | 0 | 0 | 0 | 111.2 | V161 Q165 | V161-Y163 HydrophobicContact CB-CE2 3.74Å; V161-Y163 HydrophobicContact CG1-CE1 4.1Å; V161-Y163 HydrophobicContact CG1-CE2 3.9Å; V161-Y163 WeakPolarHBondContact O-CD2 3.44Å; V161-Y163 VanDerWaalsContact O-CE2 3.28Å; V161-Y163 WeakPolarHBondContact O-CE2 3.49Å; Y163-Q165 PolarHBondContact O-N 2.78Å |
| 164 | D | 84.4 | Confident | 86.4 | Confident | 43 Ų | 43 | 60.8 Ų | 60.8 | 23% | 0.23 | 32% | 0.316 | C | S | . | . | trans | -72.9 | 115.7 | 169 | 174.5 | 3.6 | 0 | 0 | 0 | 108.9 | R166 T167 G168 R169 R171 | D164-R166 PolarHBondContact O-N 2.84Å; D164-R166 WeakPolarHBondContact OD1-CB 3.27Å; D164-R166 PolarHBondContact OD1-N 2.92Å; D164-T167 WeakPolarHBondContact CB-OG1 3.43Å; D164-T167 VanDerWaalsContact CG-OG1 3.28Å; D164-T167 PolarHBondContact O-N 3.19Å; D164-T167 WeakPolarHBondContact OD2-CG2 3.39Å; D164-T167 PolarHBondContact OD2-OG1 3.12Å; D164-G168 VanDerWaalsContact O-CA 3.27Å; D164-G168 WeakPolarHBondContact O-CA 3.43Å; D164-G168 PolarHBondContact O-N 2.78Å; D164-R169 WeakPolarHBondContact CB-O 3.38Å; D164-R169 PolarHBondContact N-O 3.39Å; D164-R171 HydrophobicContact CB-CG 4Å | ||
| 165 | Q | 76.2 | Confident | 86.5 | Confident | 161 Ų | 161 | 61.6 Ų | 61.6 | 75% | 0.752 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -24.3 | -178.2 | -164.6 | 176.8 | 13.8 | 0 | 0 | 113.3 | Y163 | Y163-Q165 PolarHBondContact O-N 2.78Š|
| 166 | R | 78.3 | Confident | 86.5 | Confident | 210 Ų | 210 | 58.7 Ų | 58.7 | 79% | 0.792 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -34.8 | -177.7 | -162.8 | -178.5 | 67.5 | 132.9 | 2.8 | 112.8 | D164 | D164-R166 PolarHBondContact O-N 2.84Å; D164-R166 WeakPolarHBondContact OD1-CB 3.27Å; D164-R166 PolarHBondContact OD1-N 2.92Å |
| 167 | T | 82 | Confident | 86.5 | Confident | 67 Ų | 67 | 58.5 Ų | 58.5 | 41% | 0.411 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.3 | -11.2 | -175.2 | 63.7 | 0 | 0 | 0 | 0 | 113.6 | D164 R169 | D164-T167 WeakPolarHBondContact CB-OG1 3.43Å; D164-T167 VanDerWaalsContact CG-OG1 3.28Å; D164-T167 PolarHBondContact O-N 3.19Å; D164-T167 WeakPolarHBondContact OD2-CG2 3.39Å; D164-T167 PolarHBondContact OD2-OG1 3.12Å; T167-R169 PolarHBondContact O-N 2.89Å; T167-R169 PolarHBondContact OG1-N 3.47Å |
| 168 | G | 79.9 | Confident | 86.6 | Confident | 58 Ų | 58 | 55.4 Ų | 55.4 | 60% | 0.598 | 27% | 0.268 | S | S | * | . | trans | 66.6 | 7.1 | -173 | 0 | 0 | 0 | 0 | 0 | 113.8 | D164 | D164-G168 VanDerWaalsContact O-CA 3.27Å; D164-G168 WeakPolarHBondContact O-CA 3.43Å; D164-G168 PolarHBondContact O-N 2.78Å | ||
| 169 | R | 81.7 | Confident | 86.7 | Confident | 173 Ų | 173 | 60.2 Ų | 60.2 | 65% | 0.653 | 29% | 0.285 | S | S | * | . | trans | -88.7 | 144 | -176.7 | -65 | -176.5 | 175.3 | -168.4 | -2.7 | 110.5 | D164 T167 R171 | D164-R169 WeakPolarHBondContact CB-O 3.38Å; D164-R169 PolarHBondContact N-O 3.39Å; T167-R169 PolarHBondContact O-N 2.89Å; T167-R169 PolarHBondContact OG1-N 3.47Å; R169-R171 PolarHBondContact O-N 3.2Å | ||
| 170 | S | 86.4 | Confident | 86.6 | Confident | 8 Ų | 8 | 66.5 Ų | 66.5 | 6% | 0.056 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57 | 139.3 | 171.1 | 175.7 | 0 | 0 | 0 | 0 | 109.7 | L139 G172 | L139-S170 WeakPolarHBondContact CD2-O 3.26Å; S170-G172 PolarHBondContact O-N 2.77Å; S170-G172 PolarHBondContact OG-N 2.85Å |
| 171 | R | 84.3 | Confident | 86.6 | Confident | 89 Ų | 89 | 67.3 Ų | 67.3 | 34% | 0.336 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 0.8 | 175.2 | -63.5 | -170.8 | 64.7 | -145 | -8.9 | 112.8 | V162 D164 R169 F173 | V162-R171 WeakPolarHBondContact O-CB 3.13Å; V162-R171 PolarHBondContact O-N 3.17Å; D164-R171 HydrophobicContact CB-CG 4Å; R169-R171 PolarHBondContact O-N 3.2Å; R171-F173 VanDerWaalsContact C-N 3.33Å; R171-F173 HydrophobicContact CB-CD1 3.57Å; R171-F173 HydrophobicContact CB-CE1 3.24Å; R171-F173 HydrophobicContact CB-CZ 4.15Å; R171-F173 HydrophobicContact CG-CE1 4.13Å; R171-F173 VanDerWaalsContact CZ-CE1 3.43Å |
| 172 | G | 87.3 | Confident | 86.6 | Confident | 8 Ų | 8 | 72.4 Ų | 72.4 | 8% | 0.082 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 75.7 | 23.7 | -179 | 0 | 0 | 0 | 0 | 0 | 113 | G136 L137 S170 | G136-G172 PolarHBondContact N-O 2.82Å; L137-G172 PolarHBondContact N-O 3.4Å; S170-G172 PolarHBondContact O-N 2.77Å; S170-G172 PolarHBondContact OG-N 2.85Å |
| 173 | F | 89.7 | Confident | 86.7 | Confident | 23 Ų | 23 | 71.9 Ų | 71.9 | 10% | 0.101 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 151.2 | 170.1 | 66.5 | -90.2 | 0 | 0 | 0 | 111.8 | V134 F135 V162 R171 F175 | V134-F173 CarbonylContact O-C 3.57Å; V134-F173 WeakPolarHBondContact O-CA 3.21Å; V134-F173 WeakPolarHBondContact O-CB 3.04Å; F135-F173 HydrophobicContact CD1-CB 3.92Å; F135-F173 HydrophobicContact CE1-CB 4.45Å; V162-F173 HydrophobicContact CB-CD2 3.84Å; V162-F173 HydrophobicContact CB-CE1 4.33Å; V162-F173 HydrophobicContact CB-CE2 3.32Å; V162-F173 HydrophobicContact CB-CZ 3.58Å; V162-F173 HydrophobicContact CG1-CE1 4.34Å; V162-F173 HydrophobicContact CG1-CE2 3.66Å; V162-F173 HydrophobicContact CG1-CZ 3.48Å; V162-F173 VanDerWaalsContact CG1-CZ 3.48Å; V162-F173 HydrophobicContact CG2-CD2 3.78Å; V162-F173 HydrophobicContact CG2-CE2 3.31Å; V162-F173 HydrophobicContact CG2-CZ 4.06Å; V162-F173 PolarHBondContact N-O 3.4Å; V162-F173 VanDerWaalsContact N-O 3.12Å; R171-F173 VanDerWaalsContact C-N 3.33Å; R171-F173 HydrophobicContact CB-CD1 3.57Å; R171-F173 HydrophobicContact CB-CE1 3.24Å; R171-F173 HydrophobicContact CB-CZ 4.15Å; R171-F173 HydrophobicContact CG-CE1 4.13Å; R171-F173 VanDerWaalsContact CZ-CE1 3.43Å; F173-F175 HydrophobicContact CD2-CE2 4.11Å; F173-F175 HydrophobicContact CD2-CZ 4.47Å; F173-F175 HydrophobicContact CE2-CE2 4.02Å; F173-F175 HydrophobicContact CE2-CZ 4.49Å |
| 174 | A | 90.7 | Very high | 86.8 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 158.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | V134 L137 L146 N160 V161 | V134-A174 PolarHBondContact N-O 3.43Å; V134-A174 PolarHBondContact O-N 3.42Å; L137-A174 HydrophobicContact CD1-CB 3.64Å; L146-A174 HydrophobicContact CD1-CB 3.41Å; L146-A174 VanDerWaalsContact CD1-CB 3.41Å; N160-A174 CarbonylContact O-C 3.55Å; N160-A174 VanDerWaalsContact O-CA 3.28Å; N160-A174 WeakPolarHBondContact O-CA 3Å; V161-A174 HydrophobicContact CB-CB 4.43Å; V161-A174 HydrophobicContact CG2-CB 4.03Å |
| 175 | F | 91.3 | Very high | 87 | Confident | 32 Ų | 32 | 69.2 Ų | 69.2 | 14% | 0.14 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 128.2 | 172.2 | -64.3 | -77.9 | 0 | 0 | 0 | 109.2 | L132 V159 N160 V162 F173 Y177 | L132-F175 CarbonylContact O-C 3.51Å; L132-F175 WeakPolarHBondContact O-CA 3.42Å; V159-F175 CarbonylContact C-O 3.53Å; V159-F175 WeakPolarHBondContact CA-O 3.34Å; N160-F175 PolarHBondContact N-O 3Å; N160-F175 PolarHBondContact O-N 3.35Å; V162-F175 HydrophobicContact CG2-CD2 4.05Å; V162-F175 HydrophobicContact CG2-CE2 3.95Å; F173-F175 HydrophobicContact CD2-CE2 4.11Å; F173-F175 HydrophobicContact CD2-CZ 4.47Å; F173-F175 HydrophobicContact CE2-CE2 4.02Å; F173-F175 HydrophobicContact CE2-CZ 4.49Å; F175-Y177 HydrophobicContact CB-CE2 3.98Å |
| 176 | V | 91.2 | Very high | 87.7 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 125.7 | 178.9 | -179.5 | 0 | 0 | 0 | 0 | 107.9 | C131 L132 V134 F150 L156 V159 F178 | C131-V176 CarbonylContact C-O 3.56Å; C131-V176 WeakPolarHBondContact CA-O 3.29Å; L132-V176 PolarHBondContact N-O 3.01Å; L132-V176 PolarHBondContact O-N 3.38Å; V134-V176 HydrophobicContact CG2-CG2 3.89Å; F150-V176 HydrophobicContact CB-CG1 4.24Å; F150-V176 HydrophobicContact CD2-CG2 4.16Å; F150-V176 HydrophobicContact CE2-CG2 4.47Å; F150-V176 HydrophobicContact CG-CG1 4.43Å; F150-V176 HydrophobicContact CG-CG2 4.38Å; L156-V176 HydrophobicContact CD2-CG1 3.56Å; V159-V176 HydrophobicContact CG1-CG2 4.2Å; V159-V176 HydrophobicContact CG2-CG1 4.29Å; V159-V176 HydrophobicContact CG2-CG2 4.4Å; V176-F178 HydrophobicContact CB-CE2 4.32Å; V176-F178 HydrophobicContact CG1-CD2 4Å; V176-F178 HydrophobicContact CG1-CE2 3.51Å; V176-F178 HydrophobicContact CG1-CZ 4.11Å |
| 177 | Y | 90.9 | Very high | 88.2 | Confident | 32 Ų | 32 | 55.1 Ų | 55.1 | 13% | 0.125 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 122.1 | 177.8 | -57.7 | -90.2 | 0 | 0 | 0 | 108.5 | Q130 C131 L156 A157 G158 N160 F175 A211 H212 | Q130-Y177 CarbonylContact O-C 3.59Å; Q130-Y177 WeakPolarHBondContact O-CA 3.42Å; C131-Y177 HydrophobicContact CB-CD1 3.95Å; C131-Y177 HydrophobicContact CB-CE1 3.98Å; C131-Y177 WeakPolarHBondContact SG-CE1 3.43Å; L156-Y177 CarbonylContact C-O 3.52Å; L156-Y177 WeakPolarHBondContact CA-O 3.34Å; A157-Y177 PolarHBondContact N-O 3.05Å; G158-Y177 PolarHBondContact N-O 2.82Å; G158-Y177 PolarHBondContact O-N 3.37Å; N160-Y177 HydrophobicContact CB-CE2 4.34Å; F175-Y177 HydrophobicContact CB-CE2 3.98Å; Y177-A211 HydrophobicContact CE1-CB 4.29Å; Y177-A211 WeakPolarHBondContact OH-CA 3.08Å; Y177-H212 PolarHBondContact OH-N 3.44Å; Y177-H212 VanDerWaalsContact OH-N 3.15Å |
| 178 | F | 92.1 | Very high | 88.5 | Confident | 3 Ų | 3 | 52.9 Ų | 52.9 | 1% | 0.013 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 154.7 | 174.3 | -75.5 | -95.1 | 0 | 0 | 0 | 110.8 | Q130 L132 F150 L156 V176 R180 D183 A187 | Q130-F178 WeakPolarHBondContact CB-O 3.16Å; Q130-F178 PolarHBondContact O-N 3.4Å; L132-F178 HydrophobicContact CD1-CD2 4.16Å; L132-F178 HydrophobicContact CD1-CE2 3.55Å; L132-F178 HydrophobicContact CD1-CZ 4.35Å; L132-F178 HydrophobicContact CG-CD2 4.27Å; L132-F178 HydrophobicContact CG-CE2 4.07Å; F150-F178 HydrophobicContact CB-CZ 4.11Å; F150-F178 HydrophobicContact CD1-CZ 4.16Å; L156-F178 HydrophobicContact CD2-CD1 3.59Å; L156-F178 HydrophobicContact CD2-CD2 4.16Å; L156-F178 HydrophobicContact CD2-CE1 3.3Å; L156-F178 HydrophobicContact CD2-CE2 3.9Å; L156-F178 HydrophobicContact CD2-CG 4.01Å; L156-F178 HydrophobicContact CD2-CZ 3.48Å; L156-F178 VanDerWaalsContact CD2-CZ 3.48Å; V176-F178 HydrophobicContact CB-CE2 4.32Å; V176-F178 HydrophobicContact CG1-CD2 4Å; V176-F178 HydrophobicContact CG1-CE2 3.51Å; V176-F178 HydrophobicContact CG1-CZ 4.11Å; F178-R180 WeakPolarHBondContact CB-O 3.42Å; F178-D183 HydrophobicContact CD1-CB 3.9Å; F178-D183 HydrophobicContact CE1-CB 4.42Å; F178-A187 HydrophobicContact CE1-CB 4.22Å; F178-A187 HydrophobicContact CE2-CB 4.14Å; F178-A187 HydrophobicContact CZ-CB 3.59Å |
| 179 | E | 90.4 | Very high | 88.9 | Confident | 122 Ų | 122 | 56.7 Ų | 56.7 | 57% | 0.57 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -73.7 | -32.5 | 171.7 | -62.9 | -164.1 | 123.7 | 0 | 0 | 111.8 | Q130 P155 A157 | Q130-E179 PolarHBondContact NE2-O 3.3Å; P155-E179 HydrophobicContact CB-CG 4.27Å; P155-E179 VanDerWaalsContact CB-OE2 3.3Å; P155-E179 WeakPolarHBondContact CB-OE2 3.43Å; P155-E179 HydrophobicContact CG-CB 4.26Å; P155-E179 PolarHBondContact O-N 2.96Å; P155-E179 VanDerWaalsContact O-N 3.09Å; A157-E179 HydrophobicContact CB-CG 4.2Å |
| 180 | R | 88.9 | Confident | 89.1 | Confident | 144 Ų | 144 | 55.7 Ų | 55.7 | 54% | 0.543 | 25% | 0.249 | S | C | . | . | trans | -118.6 | 148.2 | -178 | -47.1 | -178.9 | 69.4 | -174.9 | -1.2 | 111.5 | F178 D183 S184 | F178-R180 WeakPolarHBondContact CB-O 3.42Å; R180-D183 HydrophobicContact CB-CB 4.43Å; R180-D183 VanDerWaalsContact CB-OD2 3.31Å; R180-D183 WeakPolarHBondContact CB-OD2 3.37Å; R180-D183 WeakPolarHBondContact CD-OD2 3.49Å; R180-D183 WeakPolarHBondContact CG-OD2 2.95Å; R180-S184 PolarHBondContact O-N 3.3Å | ||
| 181 | I | 88.3 | Confident | 89.1 | Confident | 79 Ų | 79 | 55.3 Ų | 55.3 | 41% | 0.405 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -75.2 | -32.9 | 177.1 | -59.3 | 165 | 0 | 0 | 0 | 110.7 | P128 Q130 S184 K185 | P128-I181 HydrophobicContact CB-CG2 4.21Å; Q130-I181 HydrophobicContact CG-CG1 3.63Å; I181-S184 PolarHBondContact O-N 3.36Å; I181-S184 PolarHBondContact O-OG 2.79Å; I181-K185 PolarHBondContact O-N 3.49Å |
| 182 | D | 90 | Very high | 89.2 | Confident | 112 Ų | 112 | 54.9 Ų | 54.9 | 60% | 0.599 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -62.3 | -44.6 | 178.3 | -57.7 | -76.7 | 0 | 0 | 0 | 111.3 | S184 K185 E186 | D182-S184 VanDerWaalsContact C-N 3.35Å; D182-S184 PolarHBondContact O-N 3.45Å; D182-K185 PolarHBondContact O-N 2.62Å; D182-E186 PolarHBondContact O-N 2.94Å |
| 183 | D | 90.3 | Very high | 89.1 | Confident | 25 Ų | 25 | 55.6 Ų | 55.6 | 13% | 0.134 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66 | -37.7 | 179.3 | -55.2 | -25.8 | 0 | 0 | 0 | 111.6 | P155 F178 R180 K185 E186 A187 | P155-D183 WeakPolarHBondContact CD-OD2 3.41Å; F178-D183 HydrophobicContact CD1-CB 3.9Å; F178-D183 HydrophobicContact CE1-CB 4.42Å; R180-D183 HydrophobicContact CB-CB 4.43Å; R180-D183 VanDerWaalsContact CB-OD2 3.31Å; R180-D183 WeakPolarHBondContact CB-OD2 3.37Å; R180-D183 WeakPolarHBondContact CD-OD2 3.49Å; R180-D183 WeakPolarHBondContact CG-OD2 2.95Å; D183-K185 VanDerWaalsContact C-N 3.33Å; D183-E186 PolarHBondContact O-N 2.81Å; D183-A187 VanDerWaalsContact O-CB 3.23Å; D183-A187 WeakPolarHBondContact O-CB 3.18Å; D183-A187 PolarHBondContact O-N 2.81Å |
| 184 | S | 88.6 | Confident | 88.9 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.9 | -35.2 | 177 | 68.6 | 0 | 0 | 0 | 0 | 112 | N129 L132 R180 I181 D182 M188 | N129-S184 WeakPolarHBondContact O-CB 3.28Å; N129-S184 PolarHBondContact O-OG 3.25Å; L132-S184 VanDerWaalsContact CD1-O 3.28Å; L132-S184 WeakPolarHBondContact CD1-O 3.28Å; R180-S184 PolarHBondContact O-N 3.3Å; I181-S184 PolarHBondContact O-N 3.36Å; I181-S184 PolarHBondContact O-OG 2.79Å; D182-S184 VanDerWaalsContact C-N 3.35Å; D182-S184 PolarHBondContact O-N 3.45Å; S184-M188 WeakPolarHBondContact O-CB 2.97Å; S184-M188 PolarHBondContact O-N 2.77Å |
| 185 | K | 89.3 | Confident | 88.7 | Confident | 107 Ų | 107 | 64.4 Ų | 64.4 | 47% | 0.465 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.7 | -48.4 | 174.5 | -173.9 | -175.4 | 174.3 | -169.4 | 0 | 111.7 | I181 D182 D183 A187 M188 E189 F205 | I181-K185 PolarHBondContact O-N 3.49Å; D182-K185 PolarHBondContact O-N 2.62Å; D183-K185 VanDerWaalsContact C-N 3.33Å; K185-A187 VanDerWaalsContact C-N 3.31Å; K185-A187 PolarHBondContact O-N 2.73Å; K185-M188 PolarHBondContact O-N 3.47Å; K185-E189 PolarHBondContact O-N 3.49Å; K185-F205 HydrophobicContact CB-CZ 4.1Å; K185-F205 HydrophobicContact CG-CZ 4.26Å |
| 186 | E | 89.6 | Confident | 88.3 | Confident | 75 Ų | 75 | 63.7 Ų | 63.7 | 35% | 0.35 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.6 | -42.4 | 177.3 | -177.3 | 170.2 | 104.6 | 0 | 0 | 111.4 | D182 D183 M188 E189 R190 | D182-E186 PolarHBondContact O-N 2.94Å; D183-E186 PolarHBondContact O-N 2.81Å; E186-M188 VanDerWaalsContact C-N 3.34Å; E186-M188 PolarHBondContact O-N 3.15Å; E186-E189 PolarHBondContact O-N 3.18Å; E186-R190 VanDerWaalsContact CD-CZ 3.44Å; E186-R190 HydrophobicContact CG-CG 4.29Å; E186-R190 WeakPolarHBondContact O-CB 3.31Å; E186-R190 WeakPolarHBondContact O-CG 3.41Å; E186-R190 PolarHBondContact O-N 3.45Å; E186-R190 IonicContact OE1-CZ 3.41Å; E186-R190 IonicContact OE1-NE 3.66Å; E186-R190 IonicContact OE1-NH1 3.73Å; E186-R190 IonicContact OE1-NH2 2.77Å; E186-R190 PolarHBondContact OE1-NH2 2.92Å; E186-R190 IonicContact OE2-CZ 3.83Å; E186-R190 IonicContact OE2-NE 3.47Å; E186-R190 IonicContact OE2-NH2 3.47Å; E186-R190 PolarHBondContact OE2-NH2 3.46Å |
| 187 | A | 89.3 | Confident | 87.9 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.9 | -40.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L132 F150 Y153 F178 D183 K185 A191 | L132-A187 HydrophobicContact CD1-CB 3.86Å; F150-A187 HydrophobicContact CD1-CB 4.34Å; Y153-A187 HydrophobicContact CD2-CB 3.89Å; Y153-A187 HydrophobicContact CG-CB 3.87Å; F178-A187 HydrophobicContact CE1-CB 4.22Å; F178-A187 HydrophobicContact CE2-CB 4.14Å; F178-A187 HydrophobicContact CZ-CB 3.59Å; D183-A187 VanDerWaalsContact O-CB 3.23Å; D183-A187 WeakPolarHBondContact O-CB 3.18Å; D183-A187 PolarHBondContact O-N 2.81Å; K185-A187 VanDerWaalsContact C-N 3.31Å; K185-A187 PolarHBondContact O-N 2.73Å; A187-A191 WeakPolarHBondContact O-CA 3.42Å; A187-A191 WeakPolarHBondContact O-CB 3.28Å; A187-A191 PolarHBondContact O-N 3.21Å |
| 188 | M | 88.9 | Confident | 87.5 | Confident | 21 Ų | 21 | 69.3 Ų | 69.3 | 10% | 0.103 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.3 | -50.7 | 176 | -173.5 | -153.4 | 176.8 | 0 | 0 | 111 | N125 L132 S184 K185 E186 R190 N192 V203 F205 | N125-M188 WeakPolarHBondContact OD1-CE 3.23Å; L132-M188 HydrophobicContact CD1-CB 4.41Å; L132-M188 HydrophobicContact CD2-CB 4.21Å; S184-M188 WeakPolarHBondContact O-CB 2.97Å; S184-M188 PolarHBondContact O-N 2.77Å; K185-M188 PolarHBondContact O-N 3.47Å; E186-M188 VanDerWaalsContact C-N 3.34Å; E186-M188 PolarHBondContact O-N 3.15Å; M188-R190 VanDerWaalsContact C-N 3.33Å; M188-R190 PolarHBondContact O-N 3.26Å; M188-N192 WeakPolarHBondContact O-CB 3.46Å; M188-N192 PolarHBondContact O-N 2.92Å; M188-V203 HydrophobicContact CB-CG1 4.36Å; M188-V203 HydrophobicContact CG-CG1 4.27Å; M188-F205 HydrophobicContact CB-CZ 4.35Å; M188-F205 HydrophobicContact CE-CD2 4.17Å; M188-F205 HydrophobicContact CE-CE2 4.37Å; M188-F205 HydrophobicContact CG-CE2 4.5Å; M188-F205 HydrophobicContact SD-CD2 3.43Å; M188-F205 WeakPolarHBondContact SD-CD2 3.27Å; M188-F205 HydrophobicContact SD-CE2 3.16Å; M188-F205 WeakPolarHBondContact SD-CE2 3.49Å; M188-F205 HydrophobicContact SD-CG 4.23Å; M188-F205 HydrophobicContact SD-CZ 3.77Å |
| 189 | E | 86.7 | Confident | 87.3 | Confident | 137 Ų | 137 | 74.9 Ų | 74.9 | 64% | 0.64 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -63.8 | -38 | -176.6 | -68.8 | -178.8 | 119.8 | 0 | 0 | 112.2 | K185 E186 | K185-E189 PolarHBondContact O-N 3.49Å; E186-E189 PolarHBondContact O-N 3.18Å |
| 190 | R | 86.9 | Confident | 87.2 | Confident | 152 Ų | 152 | 77.4 Ų | 77.4 | 57% | 0.574 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -88.2 | -35.8 | -176.9 | -64.2 | -174.2 | -174.4 | -165.7 | 11.6 | 114.2 | Y153 E186 M188 | Y153-R190 HydrophobicContact CD1-CB 4.36Å; Y153-R190 HydrophobicContact CE1-CB 3.62Å; Y153-R190 HydrophobicContact CE1-CG 4.35Å; E186-R190 VanDerWaalsContact CD-CZ 3.44Å; E186-R190 HydrophobicContact CG-CG 4.29Å; E186-R190 WeakPolarHBondContact O-CB 3.31Å; E186-R190 WeakPolarHBondContact O-CG 3.41Å; E186-R190 PolarHBondContact O-N 3.45Å; E186-R190 IonicContact OE1-CZ 3.41Å; E186-R190 IonicContact OE1-NE 3.66Å; E186-R190 IonicContact OE1-NH1 3.73Å; E186-R190 IonicContact OE1-NH2 2.77Å; E186-R190 PolarHBondContact OE1-NH2 2.92Å; E186-R190 IonicContact OE2-CZ 3.83Å; E186-R190 IonicContact OE2-NE 3.47Å; E186-R190 IonicContact OE2-NH2 3.47Å; E186-R190 PolarHBondContact OE2-NH2 3.46Å; M188-R190 VanDerWaalsContact C-N 3.33Å; M188-R190 PolarHBondContact O-N 3.26Å |
| 191 | A | 85.5 | Confident | 87.3 | Confident | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -88.5 | -16.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | F150 Y153 A187 G193 M194 I201 V203 | F150-A191 HydrophobicContact CD1-CB 4.48Å; F150-A191 HydrophobicContact CE1-CB 3.67Å; F150-A191 HydrophobicContact CZ-CB 4.11Å; Y153-A191 HydrophobicContact CE2-CB 4.13Å; A187-A191 WeakPolarHBondContact O-CA 3.42Å; A187-A191 WeakPolarHBondContact O-CB 3.28Å; A187-A191 PolarHBondContact O-N 3.21Å; A191-G193 PolarHBondContact O-N 2.91Å; A191-M194 WeakPolarHBondContact O-CB 3.45Å; A191-M194 PolarHBondContact O-N 3.46Å; A191-I201 WeakPolarHBondContact O-CG1 3.5Å; A191-V203 HydrophobicContact CB-CG2 4.03Å |
| 192 | N | 88.2 | Confident | 87.3 | Confident | 80 Ų | 80 | 74 Ų | 74 | 43% | 0.428 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | 121.6 | 175.3 | -173.8 | 33.6 | 0 | 0 | 0 | 111.1 | M188 V203 | M188-N192 WeakPolarHBondContact O-CB 3.46Å; M188-N192 PolarHBondContact O-N 2.92Å; N192-V203 HydrophobicContact CB-CB 4.32Å; N192-V203 PolarHBondContact OD1-N 3.43Å |
| 193 | G | 83.2 | Confident | 87.4 | Confident | 23 Ų | 23 | 68.8 Ų | 68.8 | 24% | 0.237 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.4 | 1.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | A191 R200 I201 | A191-G193 PolarHBondContact O-N 2.91Å; G193-R200 PolarHBondContact O-NE 2.82Å; G193-I201 WeakPolarHBondContact CA-O 3.41Å; G193-I201 PolarHBondContact N-O 3.05Å |
| 194 | M | 86 | Confident | 87.3 | Confident | 72 Ų | 72 | 69.3 Ų | 69.3 | 36% | 0.355 | 33% | 0.327 | S | S | . | . | trans | -63.5 | 148.8 | 173.8 | -178.8 | 173.4 | -80.4 | 0 | 0 | 110.9 | V149 Y153 A191 R200 I201 | V149-M194 HydrophobicContact CG1-SD 4.18Å; Y153-M194 WeakPolarHBondContact OH-CE 3.38Å; A191-M194 WeakPolarHBondContact O-CB 3.45Å; A191-M194 PolarHBondContact O-N 3.46Å; M194-R200 CarbonylContact O-C 3.56Å; M194-R200 WeakPolarHBondContact O-CA 3.45Å; M194-I201 HydrophobicContact CB-CD1 4.27Å; M194-I201 HydrophobicContact CB-CG1 4.19Å; M194-I201 WeakPolarHBondContact O-CG1 3.39Å; M194-I201 PolarHBondContact O-N 3.02Å | ||
| 195 | E | 86.4 | Confident | 87.1 | Confident | 137 Ų | 137 | 69.8 Ų | 69.8 | 64% | 0.64 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 124.6 | 173.7 | -165.6 | 173.3 | 106.8 | 0 | 0 | 110.6 | R199 | E195-R199 CarbonylContact C-O 3.58Å; E195-R199 WeakPolarHBondContact CA-O 3.4Å |
| 196 | L | 84.1 | Confident | 86.4 | Confident | 16 Ų | 16 | 65.3 Ų | 65.3 | 8% | 0.084 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 125.5 | 177.2 | -167.6 | 122.9 | 0 | 0 | 0 | 108.9 | L137 T141 V149 G198 R199 I201 | L137-L196 HydrophobicContact CD2-CD2 4.11Å; T141-L196 HydrophobicContact CG2-CD2 3.39Å; T141-L196 VanDerWaalsContact OG1-CD2 3.32Å; T141-L196 WeakPolarHBondContact OG1-CD2 3.37Å; V149-L196 HydrophobicContact CB-CD1 4.36Å; V149-L196 HydrophobicContact CG1-CD1 4.37Å; V149-L196 HydrophobicContact CG2-CD1 3.73Å; L196-G198 PolarHBondContact O-N 2.82Å; L196-R199 PolarHBondContact N-O 3.07Å; L196-R199 PolarHBondContact O-N 3.13Å; L196-R199 VanDerWaalsContact O-O 3.1Å; L196-I201 HydrophobicContact CB-CG2 3.69Å |
| 197 | D | 81.8 | Confident | 85.4 | Confident | 92 Ų | 92 | 68.9 Ų | 68.9 | 49% | 0.492 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 36.7 | -177.3 | -65.4 | -57.3 | 0 | 0 | 0 | 113.8 | S138 T141 R199 | S138-D197 VanDerWaalsContact CB-CB 3.47Å; T141-D197 PolarHBondContact OG1-OD2 2.86Å; D197-R199 VanDerWaalsContact C-N 3.3Å; D197-R199 PolarHBondContact O-N 2.9Å |
| 198 | G | 83.5 | Confident | 83.9 | Confident | 58 Ų | 58 | 71.8 Ų | 71.8 | 60% | 0.598 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.7 | 16.8 | -178 | 0 | 0 | 0 | 0 | 0 | 114.4 | L196 | L196-G198 PolarHBondContact O-N 2.82Š|
| 199 | R | 86.6 | Confident | 82.5 | Confident | 120 Ų | 120 | 78.2 Ų | 78.2 | 45% | 0.453 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 137 | 175.3 | -73.3 | -176.6 | 163.6 | -175.8 | -4.2 | 111.7 | G136 L137 E195 L196 D197 I201 | G136-R199 WeakPolarHBondContact O-CB 3.39Å; L137-R199 PolarHBondContact O-NH1 2.79Å; E195-R199 CarbonylContact C-O 3.58Å; E195-R199 WeakPolarHBondContact CA-O 3.4Å; L196-R199 PolarHBondContact N-O 3.07Å; L196-R199 PolarHBondContact O-N 3.13Å; L196-R199 VanDerWaalsContact O-O 3.1Å; D197-R199 VanDerWaalsContact C-N 3.3Å; D197-R199 PolarHBondContact O-N 2.9Å; R199-I201 PolarHBondContact O-N 2.85Å |
| 200 | R | 89.1 | Confident | 81.1 | Confident | 176 Ų | 176 | 81.9 Ų | 81.9 | 66% | 0.664 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 121.3 | 173.7 | -63.5 | -173.4 | 66 | -137.8 | -1.5 | 110.2 | G193 M194 | G193-R200 PolarHBondContact O-NE 2.82Å; M194-R200 CarbonylContact O-C 3.56Å; M194-R200 WeakPolarHBondContact O-CA 3.45Å |
| 201 | I | 90.9 | Very high | 79.6 | Confident | 3 Ų | 3 | 78.3 Ų | 78.3 | 2% | 0.015 | 39% | 0.387 | C | S | . | . | trans | -87.3 | 147 | 178 | 73.8 | 177.4 | 0 | 0 | 0 | 109.9 | V134 F135 L137 F150 A191 G193 M194 L196 R199 V203 | V134-I201 HydrophobicContact CG1-CB 4.25Å; V134-I201 HydrophobicContact CG1-CD1 4.22Å; F135-I201 CarbonylContact O-C 3.6Å; F135-I201 WeakPolarHBondContact O-CA 3.27Å; L137-I201 HydrophobicContact CD2-CB 4.49Å; L137-I201 HydrophobicContact CD2-CG2 3.74Å; F150-I201 HydrophobicContact CZ-CD1 4.11Å; A191-I201 WeakPolarHBondContact O-CG1 3.5Å; G193-I201 WeakPolarHBondContact CA-O 3.41Å; G193-I201 PolarHBondContact N-O 3.05Å; M194-I201 HydrophobicContact CB-CD1 4.27Å; M194-I201 HydrophobicContact CB-CG1 4.19Å; M194-I201 WeakPolarHBondContact O-CG1 3.39Å; M194-I201 PolarHBondContact O-N 3.02Å; L196-I201 HydrophobicContact CB-CG2 3.69Å; R199-I201 PolarHBondContact O-N 2.85Å; I201-V203 HydrophobicContact CD1-CG2 4.17Å; I201-V203 HydrophobicContact CG1-CG2 4.33Å | ||
| 202 | R | 89.4 | Confident | 78.3 | Confident | 149 Ų | 149 | 82 Ų | 82 | 56% | 0.562 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 127.6 | 170.3 | -175.2 | 178.9 | 74.5 | 168.1 | 7.1 | 108.4 | F135 | F135-R202 HydrophobicContact CB-CB 4.36Å; F135-R202 PolarHBondContact N-O 3.16Å; F135-R202 PolarHBondContact O-N 2.69Å |
| 203 | V | 90.1 | Very high | 76.6 | Confident | 1 Ų | 1 | 83.9 Ų | 83.9 | 1% | 0.006 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 128.9 | 179.8 | -173.4 | 0 | 0 | 0 | 0 | 108.4 | L132 G133 V134 F150 M188 A191 N192 I201 | L132-V203 HydrophobicContact CB-CG1 3.98Å; L132-V203 HydrophobicContact CD1-CG1 3.85Å; L132-V203 HydrophobicContact CG-CG1 4.34Å; G133-V203 WeakPolarHBondContact O-CA 3.43Å; V134-V203 HydrophobicContact CG1-CG2 4.29Å; V134-V203 HydrophobicContact CG2-CG2 4.39Å; F150-V203 HydrophobicContact CE1-CG1 4.48Å; F150-V203 HydrophobicContact CE1-CG2 4.17Å; F150-V203 HydrophobicContact CZ-CG2 3.96Å; M188-V203 HydrophobicContact CB-CG1 4.36Å; M188-V203 HydrophobicContact CG-CG1 4.27Å; A191-V203 HydrophobicContact CB-CG2 4.03Å; N192-V203 HydrophobicContact CB-CB 4.32Å; N192-V203 PolarHBondContact OD1-N 3.43Å; I201-V203 HydrophobicContact CD1-CG2 4.17Å; I201-V203 HydrophobicContact CG1-CG2 4.33Å |
| 204 | D | 88.2 | Confident | 75.2 | Confident | 36 Ų | 36 | 88 Ų | 88 | 19% | 0.193 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 149.5 | -176.5 | -163.8 | -122.1 | 0 | 0 | 0 | 110 | A124 G133 F135 S206 | A124-D204 VanDerWaalsContact O-OD1 3.07Å; A124-D204 VanDerWaalsContact O-OD2 3.14Å; G133-D204 PolarHBondContact N-O 2.84Å; G133-D204 PolarHBondContact O-N 2.87Å; F135-D204 HydrophobicContact CE2-CB 4.08Å; D204-S206 PolarHBondContact O-N 2.88Å |
| 205 | F | 85.2 | Confident | 73.7 | Confident | 10 Ų | 10 | 88.6 Ų | 88.6 | 4% | 0.044 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 136.9 | 172.4 | -72.5 | -65.8 | 0 | 0 | 0 | 109.8 | N125 P126 P128 L132 K185 M188 | N125-F205 WeakPolarHBondContact OD1-CD2 3.33Å; P126-F205 WeakPolarHBondContact CD-O 3.43Å; P126-F205 HydrophobicContact CG-CB 3.75Å; P126-F205 WeakPolarHBondContact CG-O 3.42Å; P128-F205 HydrophobicContact CB-CE1 4.08Å; P128-F205 HydrophobicContact CB-CE2 4.02Å; P128-F205 HydrophobicContact CB-CZ 3.75Å; L132-F205 HydrophobicContact CD2-CD1 3.41Å; L132-F205 VanDerWaalsContact CD2-CD1 3.41Å; L132-F205 HydrophobicContact CD2-CE1 3.61Å; L132-F205 HydrophobicContact CD2-CG 4.28Å; K185-F205 HydrophobicContact CB-CZ 4.1Å; K185-F205 HydrophobicContact CG-CZ 4.26Å; M188-F205 HydrophobicContact CB-CZ 4.35Å; M188-F205 HydrophobicContact CE-CD2 4.17Å; M188-F205 HydrophobicContact CE-CE2 4.37Å; M188-F205 HydrophobicContact CG-CE2 4.5Å; M188-F205 HydrophobicContact SD-CD2 3.43Å; M188-F205 WeakPolarHBondContact SD-CD2 3.27Å; M188-F205 HydrophobicContact SD-CE2 3.16Å; M188-F205 WeakPolarHBondContact SD-CE2 3.49Å; M188-F205 HydrophobicContact SD-CG 4.23Å; M188-F205 HydrophobicContact SD-CZ 3.77Å |
| 206 | S | 74.9 | Confident | 71.7 | Confident | 13 Ų | 13 | 88.8 Ų | 88.8 | 9% | 0.091 | 46% | 0.462 | C | S | . | . | trans | -77.5 | 137.6 | 175.8 | -172.9 | 0 | 0 | 0 | 0 | 110.3 | N129 C131 D204 T208 | N129-S206 PolarHBondContact ND2-O 2.98Å; C131-S206 WeakPolarHBondContact O-CB 3.36Å; C131-S206 PolarHBondContact O-N 2.85Å; C131-S206 VanDerWaalsContact SG-CB 3.51Å; D204-S206 PolarHBondContact O-N 2.88Å; S206-T208 PolarHBondContact O-N 2.78Å; S206-T208 VanDerWaalsContact O-N 3.13Å; S206-T208 PolarHBondContact OG-N 3.06Å; S206-T208 PolarHBondContact OG-OG1 3.38Å; S206-T208 VanDerWaalsContact OG-OG1 3.06Å | ||
| 207 | I | 67.5 | Low | 70.2 | Confident | 150 Ų | 150 | 89.9 Ų | 89.9 | 77% | 0.769 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -61.5 | -23.2 | 172.9 | -61.7 | 170.6 | 0 | 0 | 0 | 110.8 | P126 | P126-I207 HydrophobicContact CB-CG1 3.89Å; P126-I207 HydrophobicContact CG-CG1 3.9Å |
| 208 | T | 59.3 | Low | 68.8 | Low | 61 Ų | 61 | 90.6 Ų | 90.6 | 37% | 0.374 | 48% | 0.48 | S | S | . | . | trans | -98.2 | 116.7 | -177.3 | 60.4 | 0 | 0 | 0 | 0 | 112.1 | S206 R210 | S206-T208 PolarHBondContact O-N 2.78Å; S206-T208 VanDerWaalsContact O-N 3.13Å; S206-T208 PolarHBondContact OG-N 3.06Å; S206-T208 PolarHBondContact OG-OG1 3.38Å; S206-T208 VanDerWaalsContact OG-OG1 3.06Å; T208-R210 PolarHBondContact O-N 3.13Å | ||
| 209 | K | 58.9 | Low | 67.2 | Low | 156 Ų | 156 | 94.9 Ų | 94.9 | 68% | 0.678 | 48% | 0.479 | S | S | * | . | trans | -75.5 | -1.4 | 173.5 | -58.6 | -177.1 | -179.6 | -178.3 | 0 | 114.5 | N129 | N129-K209 HydrophobicContact CB-CG 4.19Š| ||
| 210 | R | 57.2 | Low | 65.5 | Low | 214 Ų | 214 | 97.2 Ų | 97.2 | 81% | 0.808 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -112.7 | 148.1 | -177.2 | -84.3 | -175.3 | -91 | -165 | -6.3 | 110.6 | T208 H212 | T208-R210 PolarHBondContact O-N 3.13Å; R210-H212 PolarHBondContact O-N 2.83Å |
| 211 | A | 55.7 | Low | 63.6 | Low | 77 Ų | 77 | 90.3 Ų | 90.3 | 64% | 0.636 | 48% | 0.482 | S | S | * | . | trans | -53.3 | 115.1 | 167.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | Y177 T213 | Y177-A211 HydrophobicContact CE1-CB 4.29Å; Y177-A211 WeakPolarHBondContact OH-CA 3.08Å; A211-T213 PolarHBondContact O-N 3.15Å | ||
| 212 | H | 58.6 | Low | 61.4 | Low | 78 Ų | 78 | 101.5 Ų | 101.5 | 36% | 0.361 | 52% | 0.523 | S | S | . | . | trans | -60.7 | 115.2 | -177.2 | -167.6 | -71.8 | 0 | 0 | 0 | 108.3 | Y177 R210 | Y177-H212 PolarHBondContact OH-N 3.44Å; Y177-H212 VanDerWaalsContact OH-N 3.15Å; R210-H212 PolarHBondContact O-N 2.83Å | ||
| 213 | T | 52.3 | Low | 59 | Low | 120 Ų | 120 | 98.6 Ų | 98.6 | 74% | 0.736 | 52% | 0.524 | S | S | * | . | trans | -56.5 | 121.7 | 165.4 | -2.9 | 0 | 0 | 0 | 0 | 106 | A211 T215 | A211-T213 PolarHBondContact O-N 3.15Å; T213-T215 PolarHBondContact O-N 3.26Å | ||
| 214 | P | 52.6 | Low | 56.8 | Low | 108 Ų | 108 | 105.2 Ų | 105.2 | 70% | 0.701 | 57% | 0.565 | S | S | * | * | trans | -54.1 | 112.4 | 179.4 | 21.5 | -31.2 | 0 | 0 | 0 | 106.8 | P216 | P214-P216 VanDerWaalsContact O-CD 3.27Å; P214-P216 WeakPolarHBondContact O-CD 3.44Å | ||
| 215 | T | 55.1 | Low | 54.7 | Low | 85 Ų | 85 | 111.3 Ų | 111.3 | 52% | 0.521 | 59% | 0.591 | S | S | . | * | trans | -54.8 | 121.7 | -178.2 | 19.7 | 0 | 0 | 0 | 0 | 106.4 | T213 G217 | T213-T215 PolarHBondContact O-N 3.26Å; T215-G217 PolarHBondContact O-N 3.47Å | ||
| 216 | P | 45.5 | Very low | 52.8 | Low | 141 Ų | 141 | 118.9 Ų | 118.9 | 92% | 0.916 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -71.3 | 77.4 | 176.3 | 27.8 | -31.8 | 0 | 0 | 0 | 107.5 | P214 | P214-P216 VanDerWaalsContact O-CD 3.27Å; P214-P216 WeakPolarHBondContact O-CD 3.44Å |
| 217 | G | 51.8 | Low | 51 | Low | 40 Ų | 40 | 121.5 Ų | 121.5 | 41% | 0.412 | 66% | 0.662 | S | S | . | * | S | Bend | trans | 166.1 | 130.1 | -169.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | T215 Y219 | T215-G217 PolarHBondContact O-N 3.47Å; G217-Y219 PolarHBondContact O-N 3.45Å |
| 218 | I | 52.4 | Low | 49.9 | Very low | 107 Ų | 107 | 118.7 Ų | 118.7 | 55% | 0.549 | 67% | 0.669 | S | S | . | * | trans | -51.8 | 120.9 | 172.7 | -62.8 | 153.2 | 0 | 0 | 0 | 108.3 | M220 | I218-M220 VanDerWaalsContact C-N 3.34Å; I218-M220 PolarHBondContact O-N 3.38Å | ||
| 219 | Y | 49.7 | Very low | 48.8 | Very low | 147 Ų | 147 | 119.4 Ų | 119.4 | 58% | 0.576 | 69% | 0.689 | S | S | * | * | trans | -64 | 96.5 | 172.8 | -178 | -78.7 | 0 | 0 | 0 | 108.8 | G217 G221 | G217-Y219 PolarHBondContact O-N 3.45Å; Y219-G221 VanDerWaalsContact C-N 3.33Å; Y219-G221 PolarHBondContact O-N 3.46Å | ||
| 220 | M | 50.8 | Low | 48 | Very low | 169 Ų | 169 | 116.2 Ų | 116.2 | 83% | 0.833 | 70% | 0.701 | S | S | * | * | trans | -81.1 | 84.9 | 166.8 | -64.9 | -176.2 | -177.4 | 0 | 0 | 106.8 | I218 | I218-M220 VanDerWaalsContact C-N 3.34Å; I218-M220 PolarHBondContact O-N 3.38Å | ||
| 221 | G | 50.5 | Low | 47 | Very low | 32 Ų | 32 | 109.7 Ų | 109.7 | 33% | 0.33 | 70% | 0.7 | S | S | . | * | P | Polyproline II helix | trans | -46.5 | 154.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y219 P223 | Y219-G221 VanDerWaalsContact C-N 3.33Å; Y219-G221 PolarHBondContact O-N 3.46Å; G221-P223 WeakPolarHBondContact O-CD 3.39Å |
| 222 | R | 43.3 | Very low | 46.5 | Very low | 237 Ų | 237 | 110 Ų | 110 | 89% | 0.894 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -48.9 | 117 | 177.9 | -146 | 177.5 | -159 | -110.3 | 4.7 | 107.9 | T224 | R222-T224 PolarHBondContact O-N 2.86Š|
| 223 | P | 39.2 | Very low | 45.4 | Very low | 88 Ų | 88 | 109.7 Ų | 109.7 | 57% | 0.571 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 117.4 | -171.3 | 24.8 | -33.3 | 0 | 0 | 0 | 107.6 | G221 H225 | G221-P223 WeakPolarHBondContact O-CD 3.39Å; P223-H225 WeakPolarHBondContact CB-CE1 3.44Å; P223-H225 WeakPolarHBondContact CB-ND1 3.35Å; P223-H225 VanDerWaalsContact CG-CE1 3.45Å; P223-H225 WeakPolarHBondContact CG-CE1 3.31Å; P223-H225 PolarHBondContact O-N 2.68Å; P223-H225 PolarHBondContact O-ND1 3.09Å |
| 224 | T | 44.9 | Very low | 44.6 | Very low | 141 Ų | 141 | 113.5 Ų | 113.5 | 87% | 0.865 | 74% | 0.738 | S | S | * | * | trans | -69.4 | 74.2 | 175 | 52.6 | 0 | 0 | 0 | 0 | 108 | R222 N226 | R222-T224 PolarHBondContact O-N 2.86Å; T224-N226 PolarHBondContact O-N 2.82Å | ||
| 225 | H | 42.7 | Very low | 43.9 | Very low | 163 Ų | 163 | 119.7 Ų | 119.7 | 76% | 0.755 | 75% | 0.747 | S | S | * | * | trans | -77.6 | 70.5 | 165.9 | -63.3 | 98.5 | 0 | 0 | 0 | 107.9 | P223 | P223-H225 WeakPolarHBondContact CB-CE1 3.44Å; P223-H225 WeakPolarHBondContact CB-ND1 3.35Å; P223-H225 VanDerWaalsContact CG-CE1 3.45Å; P223-H225 WeakPolarHBondContact CG-CE1 3.31Å; P223-H225 PolarHBondContact O-N 2.68Å; P223-H225 PolarHBondContact O-ND1 3.09Å | ||
| 226 | N | 45.7 | Very low | 43 | Very low | 170 Ų | 170 | 123 Ų | 123 | 91% | 0.909 | 76% | 0.762 | S | S | * | * | trans | -111.1 | 90.2 | 154.8 | -151.2 | 39.2 | 0 | 0 | 0 | 106.9 | T224 | T224-N226 PolarHBondContact O-N 2.82Š| ||
| 227 | G | 37.6 | Very low | 42.8 | Very low | 68 Ų | 68 | 121.3 Ų | 121.3 | 70% | 0.701 | 75% | 0.753 | S | S | * | * | S | Bend | trans | 177.2 | 89.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||
| 228 | G | 43.7 | Very low | 41.9 | Very low | 90 Ų | 90 | 122.8 Ų | 122.8 | 93% | 0.928 | 77% | 0.769 | S | S | * | * | trans | -54.4 | 139.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 229 | G | 36 | Very low | 41.2 | Very low | 76 Ų | 76 | 123.3 Ų | 123.3 | 78% | 0.784 | 78% | 0.782 | S | S | * | * | trans | 173.7 | 100.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 230 | G | 43 | Very low | 40.6 | Very low | 90 Ų | 90 | 122.2 Ų | 122.2 | 93% | 0.928 | 80% | 0.796 | S | S | * | * | trans | -58.2 | 145 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 231 | G | 36.9 | Very low | 39.8 | Very low | 76 Ų | 76 | 118.2 Ų | 118.2 | 78% | 0.784 | 80% | 0.797 | S | S | * | * | trans | -176.2 | 117.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 232 | G | 43.8 | Very low | 39 | Very low | 85 Ų | 85 | 120.3 Ų | 120.3 | 88% | 0.876 | 82% | 0.819 | S | S | * | * | trans | -60.2 | 144.9 | -165.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 233 | G | 36 | Very low | 38.5 | Very low | 71 Ų | 71 | 112.8 Ų | 112.8 | 73% | 0.732 | 82% | 0.816 | S | S | * | * | trans | -101 | 98.2 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | R235 | G233-R235 PolarHBondContact O-N 2.75Š| ||
| 234 | E | 35.4 | Very low | 38.6 | Very low | 199 Ų | 199 | 120.3 Ų | 120.3 | 93% | 0.93 | 83% | 0.833 | S | S | * | * | trans | -55.2 | 112.3 | 155.2 | -111.5 | 150.9 | 85.4 | 0 | 0 | 108.8 | N236 | E234-N236 PolarHBondContact O-N 3.18Š| ||
| 235 | R | 38.3 | Very low | 38.1 | Very low | 239 Ų | 239 | 125.5 Ų | 125.5 | 90% | 0.902 | 84% | 0.836 | S | S | * | * | trans | -88.2 | 93.3 | 171.8 | -66.7 | -177.4 | -172.9 | 175.8 | 2 | 108.7 | G233 | G233-R235 PolarHBondContact O-N 2.75Š| ||
| 236 | N | 36.4 | Very low | 37.6 | Very low | 154 Ų | 154 | 121.4 Ų | 121.4 | 82% | 0.824 | 84% | 0.839 | S | S | * | * | trans | -90.3 | 94 | 159.8 | -169.5 | -26.2 | 0 | 0 | 0 | 108.3 | E234 G238 | E234-N236 PolarHBondContact O-N 3.18Å; N236-G238 PolarHBondContact OD1-N 3.22Å | ||
| 237 | S | 39.8 | Very low | 37 | Very low | 105 Ų | 105 | 124.4 Ų | 124.4 | 73% | 0.734 | 84% | 0.837 | S | S | * | * | trans | -109.1 | 86.9 | 162.3 | 57.3 | 0 | 0 | 0 | 0 | 107.8 | S239 | S237-S239 PolarHBondContact O-N 3.31Å; S237-S239 VanDerWaalsContact O-N 3.14Å | ||
| 238 | G | 33.9 | Very low | 36.9 | Very low | 72 Ų | 72 | 127.3 Ų | 127.3 | 74% | 0.742 | 84% | 0.837 | S | S | * | * | trans | -63.1 | 107.2 | 164.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | N236 | N236-G238 PolarHBondContact OD1-N 3.22Š| ||
| 239 | S | 37.1 | Very low | 36.5 | Very low | 117 Ų | 117 | 128 Ų | 128 | 82% | 0.818 | 83% | 0.827 | S | S | * | * | trans | -118.6 | 104.4 | 164.6 | -153.2 | 0 | 0 | 0 | 0 | 107.4 | S237 G241 | S237-S239 PolarHBondContact O-N 3.31Å; S237-S239 VanDerWaalsContact O-N 3.14Å; S239-G241 PolarHBondContact O-N 3.05Å | ||
| 240 | S | 37.2 | Very low | 36.3 | Very low | 125 Ų | 125 | 133.2 Ų | 133.2 | 87% | 0.874 | 82% | 0.824 | S | S | * | * | trans | -58.8 | 102.8 | -177.5 | -47.8 | 0 | 0 | 0 | 0 | 110.7 | G242 | S240-G242 PolarHBondContact O-N 3.07Š| ||
| 241 | G | 33.8 | Very low | 36 | Very low | 84 Ų | 84 | 135.9 Ų | 135.9 | 87% | 0.866 | 82% | 0.817 | S | S | * | * | trans | -77.5 | 108.4 | 170 | 0 | 0 | 0 | 0 | 0 | 110.3 | S239 | S239-G241 PolarHBondContact O-N 3.05Š| ||
| 242 | G | 34.8 | Very low | 35.7 | Very low | 76 Ų | 76 | 142.1 Ų | 142.1 | 78% | 0.784 | 82% | 0.817 | S | S | * | * | trans | -131.4 | 129.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | S240 | S240-G242 PolarHBondContact O-N 3.07Š| ||
| 243 | G | 32.1 | Very low | 35.1 | Very low | 80 Ų | 80 | 147.9 Ų | 147.9 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | trans | 99.4 | 87.9 | 150 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 244 | R | 41 | Very low | 35 | Very low | 245 Ų | 245 | 150.3 Ų | 150.3 | 93% | 0.925 | 81% | 0.81 | S | S | * | * | trans | -68.7 | 133.5 | 148.1 | -64.2 | -174.1 | 179.5 | -131 | 1.6 | 109 | ||||
| 245 | R | 34 | Very low | 34.9 | Very low | 250 Ų | 250 | 146 Ų | 146 | 94% | 0.943 | 79% | 0.793 | S | S | * | * | trans | 173.3 | 107.1 | 155.6 | -93.1 | 164.4 | -152.9 | -153.3 | 8.9 | 104.7 | ||||
| 246 | G | 33.3 | Very low | 34.7 | Very low | 78 Ų | 78 | 144.9 Ų | 144.9 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | 75 | 92.7 | 69.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 247 | R | 34 | Very low | 34.6 | Very low | 232 Ų | 232 | 149 Ų | 149 | 88% | 0.875 | 79% | 0.793 | S | S | * | * | trans | -172.4 | 122 | 146.5 | -138.4 | -179.5 | -165.1 | -161.2 | 1.2 | 112.8 | ||||
| 248 | D | 34.9 | Very low | 34.3 | Very low | 130 Ų | 130 | 147.8 Ų | 147.8 | 70% | 0.695 | 80% | 0.797 | S | S | * | * | trans | -46.4 | 136.9 | 155.5 | -47.8 | -92.5 | 0 | 0 | 0 | 112.2 | ||||
| 249 | S | 33.9 | Very low | 34.2 | Very low | 103 Ų | 103 | 148.2 Ų | 148.2 | 72% | 0.72 | 80% | 0.802 | S | S | * | * | trans | -163.2 | 120.3 | 148 | -89.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 250 | Y | 31.9 | Very low | 33.9 | Very low | 186 Ų | 186 | 146 Ų | 146 | 73% | 0.729 | 80% | 0.798 | S | S | * | * | trans | -40.9 | 142.6 | 165.5 | -17.8 | -84.8 | 0 | 0 | 0 | 113.3 | ||||
| 251 | D | 37 | Very low | 33.6 | Very low | 146 Ų | 146 | 151.1 Ų | 151.1 | 78% | 0.781 | 80% | 0.8 | S | S | * | * | trans | 157 | 140.4 | 140.6 | -86.8 | -48.2 | 0 | 0 | 0 | 107.4 | ||||
| 252 | R | 32.3 | Very low | 33.5 | Very low | 207 Ų | 207 | 153.1 Ų | 153.1 | 78% | 0.781 | 79% | 0.79 | S | S | * | * | cis | 173.7 | 144 | -7.9 | -166.2 | 167.8 | -151.9 | -165.6 | 9.1 | 103 | ||||
| 253 | Y | 30.4 | Very low | 33.4 | Very low | 206 Ų | 206 | 159.4 Ų | 159.4 | 81% | 0.808 | 79% | 0.79 | S | S | * | * | trans | -3.2 | 147.3 | 165.2 | -51.7 | -80.3 | 0 | 0 | 0 | 118.4 | ||||
| 254 | D | 34.7 | Very low | 33.3 | Very low | 123 Ų | 123 | 159 Ų | 159 | 66% | 0.658 | 79% | 0.786 | S | S | * | * | cis | -177.1 | 176 | 31.1 | -149.3 | -72.4 | 0 | 0 | 0 | 108.9 | ||||
| 255 | D | 33.1 | Very low | 32.7 | Very low | 107 Ų | 107 | 156.5 Ų | 156.5 | 57% | 0.572 | 78% | 0.778 | S | S | * | * | trans | 85.5 | 103.5 | 143.8 | -80 | -70.8 | 0 | 0 | 0 | 121 | ||||
| 256 | R | 33.3 | Very low | 32.7 | Very low | 216 Ų | 216 | 152.2 Ų | 152.2 | 82% | 0.815 | 77% | 0.774 | S | S | * | * | 111.9 | 100.4 | 120.2 | -77.3 | 175.7 | -159.7 | -149.6 | 11.1 | 118.9 | |||||
| 257 | R | 35.3 | Very low | 32.6 | Very low | 241 Ų | 241 | 159.9 Ų | 159.9 | 91% | 0.909 | 78% | 0.778 | S | S | * | * | 126.9 | 102.5 | 100.6 | -163.3 | 177.6 | -160 | -115.2 | 4.2 | 114.1 | |||||
| 258 | G | 31.9 | Very low | 32.5 | Very low | 79 Ų | 79 | 151.4 Ų | 151.4 | 81% | 0.814 | 76% | 0.763 | S | S | * | * | trans | 66.9 | 123.9 | 136.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 259 | G | 32.7 | Very low | 32.3 | Very low | 82 Ų | 82 | 155.2 Ų | 155.2 | 85% | 0.845 | 77% | 0.769 | S | S | * | * | cis | 113.2 | 108.2 | 31.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 260 | G | 30 | Very low | 32.3 | Very low | 71 Ų | 71 | 157.4 Ų | 157.4 | 73% | 0.732 | 77% | 0.773 | S | S | * | * | trans | 74 | 115.2 | 153.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 261 | Y | 32.3 | Very low | 32.5 | Very low | 232 Ų | 232 | 160.1 Ų | 160.1 | 91% | 0.91 | 78% | 0.782 | S | S | * | * | -162.6 | 138.4 | 94.1 | 50 | -98.1 | 0 | 0 | 0 | 111.7 | |||||
| 262 | D | 30.8 | Very low | 32.3 | Very low | 125 Ų | 125 | 156.6 Ų | 156.6 | 67% | 0.668 | 78% | 0.78 | S | S | * | * | trans | -73.8 | 154.5 | 172.7 | -123.7 | -95.7 | 0 | 0 | 0 | 110.7 | ||||
| 263 | R | 32.6 | Very low | 32.3 | Very low | 209 Ų | 209 | 154.2 Ų | 154.2 | 79% | 0.789 | 78% | 0.783 | S | S | * | * | trans | 81 | 121 | 135.8 | -163.1 | -178.7 | -73.8 | -179 | -7.8 | 119.4 | Y265 | R263-Y265 HydrophobicContact CG-CE2 4.24Š| ||
| 264 | G | 30.2 | Very low | 32.5 | Very low | 70 Ų | 70 | 156.5 Ų | 156.5 | 72% | 0.722 | 79% | 0.79 | S | S | * | * | trans | 158.5 | 72.6 | 155.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 265 | Y | 29.2 | Very low | 32.4 | Very low | 193 Ų | 193 | 153.5 Ų | 153.5 | 76% | 0.757 | 79% | 0.788 | S | S | * | * | trans | -62.4 | 134.5 | 171.4 | -30.1 | -89.7 | 0 | 0 | 0 | 111.3 | R263 | R263-Y265 HydrophobicContact CG-CE2 4.24Š| ||
| 266 | D | 32.1 | Very low | 32.2 | Very low | 161 Ų | 161 | 152 Ų | 152 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | -176.5 | 155 | 117.6 | -127 | -74.1 | 0 | 0 | 0 | 112.3 | |||||
| 267 | R | 32.9 | Very low | 32.2 | Very low | 238 Ų | 238 | 147.6 Ų | 147.6 | 90% | 0.898 | 79% | 0.79 | S | S | * | * | trans | 92.2 | 95.8 | 160.6 | -158.6 | 176.3 | -88.3 | 179.5 | -7.6 | 119.7 | ||||
| 268 | G | 30.3 | Very low | 32.2 | Very low | 54 Ų | 54 | 148 Ų | 148 | 56% | 0.557 | 79% | 0.791 | S | S | * | * | 119 | 98.7 | 115.9 | 0 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 269 | Y | 30.5 | Very low | 32.2 | Very low | 210 Ų | 210 | 147.1 Ų | 147.1 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | trans | 35.7 | 136.2 | 143.2 | 61.2 | -93.6 | 0 | 0 | 0 | 123.2 | ||||
| 270 | D | 34.5 | Very low | 32.1 | Very low | 150 Ų | 150 | 151.7 Ų | 151.7 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | trans | 63.6 | 93.7 | 145 | -84.2 | -89.4 | 0 | 0 | 0 | 120.7 | ||||
| 271 | R | 36.5 | Very low | 32.2 | Very low | 243 Ų | 243 | 156.5 Ų | 156.5 | 92% | 0.917 | 79% | 0.785 | S | S | * | * | -174.8 | 103.5 | 115.6 | -114.1 | -176 | -179.2 | 178.4 | 3 | 111.6 | |||||
| 272 | G | 31.8 | Very low | 32.2 | Very low | 72 Ų | 72 | 155.9 Ų | 155.9 | 74% | 0.742 | 78% | 0.78 | S | S | * | * | trans | -70.5 | 147.3 | 163.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 273 | D | 32.8 | Very low | 32.1 | Very low | 156 Ų | 156 | 159.8 Ų | 159.8 | 83% | 0.834 | 79% | 0.787 | S | S | * | * | trans | 56.9 | 108.1 | 144.8 | -138.2 | -86.8 | 0 | 0 | 0 | 119 | G275 | D273-G275 PolarHBondContact OD1-N 2.83Š| ||
| 274 | R | 35 | Very low | 32 | Very low | 255 Ų | 255 | 157.2 Ų | 157.2 | 96% | 0.962 | 79% | 0.789 | S | S | * | * | trans | -126.7 | 71.4 | 161.4 | -147.3 | -173.6 | -153.9 | -172.5 | 6.7 | 110.1 | ||||
| 275 | G | 32 | Very low | 31.9 | Very low | 59 Ų | 59 | 161.1 Ų | 161.1 | 61% | 0.608 | 79% | 0.789 | S | S | * | * | trans | -75.2 | 155.3 | 156 | 0 | 0 | 0 | 0 | 0 | 112.5 | D273 | D273-G275 PolarHBondContact OD1-N 2.83Š| ||
| 276 | G | 30.2 | Very low | 31.9 | Very low | 75 Ų | 75 | 160.7 Ų | 160.7 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | trans | 96.7 | 126.4 | 135.9 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 277 | D | 33.2 | Very low | 31.9 | Very low | 124 Ų | 124 | 158.2 Ų | 158.2 | 66% | 0.663 | 77% | 0.774 | S | S | * | * | trans | 77.7 | 94.2 | 146.5 | -98 | -108.9 | 0 | 0 | 0 | 121.5 | Y280 | D277-Y280 WeakPolarHBondContact OD1-CE1 3.3Å; D277-Y280 PolarHBondContact OD1-OH 3.11Å | ||
| 278 | R | 35.7 | Very low | 32.1 | Very low | 249 Ų | 249 | 154.2 Ų | 154.2 | 94% | 0.94 | 76% | 0.763 | S | S | * | * | trans | -76.5 | 112.3 | 148.5 | -76.1 | -175.3 | -163.3 | 156 | 6.2 | 108.6 | ||||
| 279 | G | 31.2 | Very low | 32.1 | Very low | 61 Ų | 61 | 160.4 Ų | 160.4 | 63% | 0.629 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 162.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 280 | Y | 30.4 | Very low | 32.2 | Very low | 179 Ų | 179 | 155 Ų | 155 | 70% | 0.702 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -99.8 | 150.8 | -157.6 | -9.5 | -81.8 | 0 | 0 | 0 | 110.9 | D277 | D277-Y280 WeakPolarHBondContact OD1-CE1 3.3Å; D277-Y280 PolarHBondContact OD1-OH 3.11Å |
| 281 | D | 32.3 | Very low | 32.1 | Very low | 172 Ų | 172 | 158.2 Ų | 158.2 | 92% | 0.92 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -47.7 | 136.1 | 176.1 | -55.9 | -86.2 | 0 | 0 | 0 | 114 | ||
| 282 | R | 31.9 | Very low | 32 | Very low | 218 Ų | 218 | 155 Ų | 155 | 82% | 0.823 | 75% | 0.752 | S | S | * | * | trans | -135.4 | 103.7 | -179.2 | -169.2 | 164.8 | -114.7 | -168.7 | -1.1 | 113.2 | ||||
| 283 | Y | 29 | Very low | 32 | Very low | 207 Ų | 207 | 161.5 Ų | 161.5 | 81% | 0.812 | 76% | 0.755 | S | S | * | * | trans | 57.5 | 111.5 | 155.2 | -61.9 | -67.2 | 0 | 0 | 0 | 120.9 | ||||
| 284 | D | 30.6 | Very low | 32.2 | Very low | 155 Ų | 155 | 159.2 Ų | 159.2 | 83% | 0.829 | 75% | 0.751 | S | S | * | * | trans | -68.6 | 156.5 | 148.1 | -125.2 | -69.6 | 0 | 0 | 0 | 111.2 | ||||
| 285 | E | 28.8 | Very low | 32.9 | Very low | 152 Ų | 152 | 152.8 Ų | 152.8 | 71% | 0.71 | 74% | 0.742 | S | S | * | * | trans | 110.8 | 118.9 | 141.6 | -149.2 | 155.3 | -160.2 | 0 | 0 | 121 | ||||
| 286 | Y | 28.6 | Very low | 33.1 | Very low | 185 Ų | 185 | 155.3 Ų | 155.3 | 73% | 0.725 | 75% | 0.751 | S | S | * | * | trans | 88.4 | 143.4 | 149.9 | -91.3 | -138.2 | 0 | 0 | 0 | 120.8 | ||||
| 287 | D | 32.6 | Very low | 33.8 | Very low | 109 Ų | 109 | 156.8 Ų | 156.8 | 58% | 0.583 | 75% | 0.746 | S | S | * | * | cis | -160.9 | 154.7 | -3.1 | -151 | -21.4 | 0 | 0 | 0 | 109.9 | ||||
| 288 | K | 36.3 | Very low | 33.6 | Very low | 154 Ų | 154 | 161.6 Ų | 161.6 | 67% | 0.67 | 76% | 0.757 | S | S | * | * | trans | -42.6 | 136.8 | 154.9 | -133.5 | 167.3 | -171.8 | 175.1 | 0 | 110.7 | ||||
| 289 | Y | 29.6 | Very low | 33.5 | Very low | 184 Ų | 184 | 159 Ų | 159 | 72% | 0.722 | 75% | 0.748 | S | S | * | * | 154.6 | 135 | 114.9 | -93.9 | -69.6 | 0 | 0 | 0 | 117.2 | |||||
| 290 | S | 33.5 | Very low | 33.9 | Very low | 96 Ų | 96 | 160.1 Ų | 160.1 | 67% | 0.671 | 75% | 0.746 | S | S | * | * | trans | 91.3 | 121.3 | 134.5 | -68.1 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 291 | R | 32.3 | Very low | 34 | Very low | 218 Ų | 218 | 162.4 Ų | 162.4 | 82% | 0.823 | 75% | 0.754 | S | S | * | * | 171.4 | 149.5 | 102.1 | -90.1 | -174.4 | -167.5 | -132.7 | 4.9 | 109.5 | |||||
| 292 | R | 33.7 | Very low | 34 | Very low | 175 Ų | 175 | 163.4 Ų | 163.4 | 66% | 0.66 | 75% | 0.746 | S | S | * | * | cis | 175.5 | 144.1 | -12.6 | -123.9 | -179.3 | -175.5 | -111.6 | -1.9 | 106.5 | ||||
| 293 | R | 31.8 | Very low | 34.3 | Very low | 209 Ų | 209 | 162.1 Ų | 162.1 | 79% | 0.789 | 74% | 0.741 | S | S | * | * | trans | 64.2 | 132.8 | 145.9 | -114.7 | 174.7 | 177.7 | 175.2 | -3.2 | 118.3 | ||||
| 294 | S | 37 | Very low | 34.7 | Very low | 108 Ų | 108 | 157.6 Ų | 157.6 | 76% | 0.755 | 74% | 0.74 | S | S | * | * | cis | -156.7 | 170.4 | 41.8 | -72.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 295 | P | 50.2 | Low | 34.9 | Very low | 119 Ų | 119 | 159.5 Ų | 159.5 | 77% | 0.773 | 74% | 0.735 | S | S | * | * | trans | -107 | 172.2 | -166.5 | 39.2 | -29.7 | 0 | 0 | 0 | 115.9 | ||||
| 296 | S | 37.3 | Very low | 35.4 | Very low | 113 Ų | 113 | 157.7 Ų | 157.7 | 79% | 0.79 | 74% | 0.739 | S | S | * | * | trans | 112.8 | 161.8 | 160.4 | -147.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 297 | P | 43 | Very low | 35.8 | Very low | 106 Ų | 106 | 158.6 Ų | 158.6 | 69% | 0.688 | 74% | 0.741 | S | S | * | * | cis | -133 | 139.3 | -28.6 | 20.2 | 1.4 | 0 | 0 | 0 | 112.7 | ||||
| 298 | Y | 31 | Very low | 36.1 | Very low | 225 Ų | 225 | 158.9 Ų | 158.9 | 88% | 0.882 | 75% | 0.752 | S | S | * | * | trans | -168.6 | 102.2 | 130.8 | -131.5 | -106 | 0 | 0 | 0 | 111.5 | ||||
| 299 | Y | 33.4 | Very low | 36.4 | Very low | 194 Ų | 194 | 162.7 Ų | 162.7 | 76% | 0.761 | 76% | 0.762 | S | S | * | * | trans | 46 | 96.4 | 136.5 | -124 | -101.8 | 0 | 0 | 0 | 120.7 | ||||
| 300 | S | 38.2 | Very low | 36.9 | Very low | 84 Ų | 84 | 159.6 Ų | 159.6 | 59% | 0.587 | 77% | 0.768 | S | S | * | * | 15.4 | 114.7 | 118.3 | -158 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 301 | R | 33.9 | Very low | 37.2 | Very low | 227 Ų | 227 | 164.6 Ų | 164.6 | 86% | 0.857 | 77% | 0.773 | S | S | * | * | trans | -161.9 | 95.4 | 135 | -125.8 | 168 | -160.7 | 175.4 | 6.9 | 110 | ||||
| 302 | Y | 31.6 | Very low | 38 | Very low | 194 Ų | 194 | 159.8 Ų | 159.8 | 76% | 0.761 | 77% | 0.773 | S | S | * | * | 61.7 | 112.1 | 102.5 | -102 | -90.7 | 0 | 0 | 0 | 114.7 | |||||
| 303 | R | 37.4 | Very low | 38.7 | Very low | 191 Ų | 191 | 155.5 Ų | 155.5 | 72% | 0.721 | 77% | 0.768 | S | S | * | * | 107 | 98.2 | 119.2 | -136.3 | 176.1 | -167.4 | -161.8 | 1.4 | 116.5 | |||||
| 304 | S | 37.2 | Very low | 39 | Very low | 111 Ų | 111 | 156.6 Ų | 156.6 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | trans | -30.3 | 131.6 | 143.4 | -23.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 305 | R | 35.5 | Very low | 39 | Very low | 196 Ų | 196 | 162.2 Ų | 162.2 | 74% | 0.74 | 78% | 0.776 | S | S | * | * | trans | -145 | 83.4 | 158.1 | -124.5 | 175.1 | -172.9 | 178.8 | 0.8 | 111.1 | ||||
| 306 | S | 38.7 | Very low | 38.9 | Very low | 113 Ų | 113 | 170.9 Ų | 170.9 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | trans | -56.6 | 126 | 147.6 | -27.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 307 | R | 37.2 | Very low | 39 | Very low | 204 Ų | 204 | 173.8 Ų | 173.8 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | trans | -162.8 | 102.3 | 153.1 | -118.8 | 170.7 | -177.5 | 179.3 | 0 | 111.5 | ||||
| 308 | S | 40.2 | Very low | 38.8 | Very low | 116 Ų | 116 | 177.3 Ų | 177.3 | 81% | 0.811 | 80% | 0.802 | S | S | * | * | trans | -43.9 | 136.2 | 151.2 | 21.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 309 | R | 40.9 | Very low | 39.2 | Very low | 234 Ų | 234 | 174.7 Ų | 174.7 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | trans | -151.1 | 100.3 | 160 | -109.4 | 175.4 | 179.1 | -176.8 | -3.7 | 109.8 | ||||
| 310 | S | 41.9 | Very low | 39.6 | Very low | 119 Ų | 119 | 173.5 Ų | 173.5 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | trans | -66.4 | 133.6 | 156.2 | 36 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 311 | Y | 39.4 | Very low | 39.7 | Very low | 201 Ų | 201 | 179.1 Ų | 179.1 | 79% | 0.788 | 81% | 0.813 | S | S | * | * | trans | -158.6 | 108.3 | 161 | -160.9 | -98.7 | 0 | 0 | 0 | 111.8 | ||||
| 312 | S | 48.9 | Very low | 40 | Very low | 117 Ų | 117 | 175.9 Ų | 175.9 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -124.7 | 131.7 | 145.1 | -77.4 | 0 | 0 | 0 | 0 | 104.2 | ||||
| 313 | P | 47.6 | Very low | 40.6 | Very low | 84 Ų | 84 | 174.6 Ų | 174.6 | 55% | 0.545 | 81% | 0.813 | S | S | . | * | -159.6 | 178 | 84.9 | 39.6 | -18.2 | 0 | 0 | 0 | 117.5 | |||||
| 314 | R | 37.8 | Very low | 40.9 | Very low | 232 Ų | 232 | 173.4 Ų | 173.4 | 88% | 0.875 | 82% | 0.82 | S | S | * | * | trans | 105.8 | 105.6 | 150.4 | -74.1 | -174 | 170.7 | -153.6 | -2.7 | 119.8 | ||||
| 315 | R | 37.9 | Very low | 41.2 | Very low | 227 Ų | 227 | 178.6 Ų | 178.6 | 86% | 0.857 | 82% | 0.824 | S | S | * | * | 17.9 | 125.2 | 116.8 | -71.9 | -89.5 | -173.2 | -160 | -0.4 | 116.7 | |||||
| 316 | Y | 48.3 | Very low | 41.7 | Very low | 300 Ų | 300 | 177 Ų | 177 | 100% | 1.176 | 83% | 0.832 | S | S | * | * | -137.8 | 0 | 110.1 | -120.7 | -94.1 | 0 | 0 | 0 | 108.3 |
Retrieved 316 of 316 residues in 995.3 ms
(Link to these results)