| 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 | 41.4 | Very low | 43.4 | Very low | 236 Ų | 236 | 142.8 Ų | 142.8 | 100% | 1.163 | 86% | 0.855 | S | S | * | * | 0 | 124.4 | 0 | -61.4 | 147.6 | 172.8 | 0 | 0 | 108.5 | |||||
| 2 | N | 44.2 | Very low | 42.9 | Very low | 146 Ų | 146 | 137.3 Ų | 137.3 | 78% | 0.781 | 85% | 0.85 | S | S | * | * | cis | -142.7 | 128.6 | -29.1 | -103.8 | 7.8 | 0 | 0 | 0 | 107.2 | ||||
| 3 | R | 36.8 | Very low | 43 | Very low | 252 Ų | 252 | 136.2 Ų | 136.2 | 95% | 0.951 | 85% | 0.851 | S | S | * | * | trans | -91.2 | 141.9 | 157.3 | -93.1 | -175.3 | 171.3 | -178 | -2.4 | 107.3 | ||||
| 4 | M | 55.4 | Low | 42.7 | Very low | 174 Ų | 174 | 138.9 Ų | 138.9 | 86% | 0.857 | 85% | 0.848 | S | S | * | * | trans | -134.9 | 156.8 | 161.2 | -86.3 | -165.2 | 160.5 | 0 | 0 | 110.8 | ||||
| 5 | P | 46.2 | Very low | 42.7 | Very low | 122 Ų | 122 | 136.9 Ų | 136.9 | 79% | 0.792 | 84% | 0.839 | S | S | * | * | trans | -111.2 | 179.7 | -155.3 | 40.4 | -30.7 | 0 | 0 | 0 | 114.3 | ||||
| 6 | S | 37.1 | Very low | 42.6 | Very low | 114 Ų | 114 | 138.7 Ų | 138.7 | 80% | 0.797 | 84% | 0.84 | S | S | * | * | trans | -69.4 | 151.2 | 178.2 | -160.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 7 | A | 50 | Low | 42.2 | Very low | 95 Ų | 95 | 139.2 Ų | 139.2 | 79% | 0.785 | 83% | 0.831 | S | S | * | * | trans | -116.1 | 169.9 | 161.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 8 | V | 39.4 | Very low | 42.2 | Very low | 138 Ų | 138 | 140.5 Ų | 140.5 | 84% | 0.836 | 83% | 0.83 | S | S | * | * | trans | -140.1 | 166.3 | -163.3 | 177.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 9 | A | 41.8 | Very low | 41.9 | Very low | 88 Ų | 88 | 140.5 Ų | 140.5 | 73% | 0.727 | 82% | 0.821 | S | S | * | * | trans | 89.7 | 144.7 | 167.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 10 | S | 41.7 | Very low | 41.8 | Very low | 122 Ų | 122 | 139.7 Ų | 139.7 | 85% | 0.853 | 82% | 0.82 | S | S | * | * | cis | -165.1 | 155 | -11.1 | -110.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 11 | G | 43.4 | Very low | 41.9 | Very low | 84 Ų | 84 | 139.4 Ų | 139.4 | 87% | 0.866 | 82% | 0.819 | S | S | * | * | trans | 89.7 | 143.3 | 158.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 12 | G | 37.9 | Very low | 41.8 | Very low | 77 Ų | 77 | 136.3 Ų | 136.3 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | cis | 157.9 | 114 | -14.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 13 | S | 44 | Very low | 41.4 | Very low | 123 Ų | 123 | 134.5 Ų | 134.5 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | trans | -168.2 | 150.9 | 156.8 | 41.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 14 | Q | 38.5 | Very low | 41.6 | Very low | 173 Ų | 173 | 125.6 Ų | 125.6 | 81% | 0.808 | 79% | 0.787 | S | S | * | * | trans | -153.2 | 168.7 | -177.6 | -83.7 | -72.7 | -6.4 | 0 | 0 | 105.7 | ||||
| 15 | P | 42.3 | Very low | 40.8 | Very low | 109 Ų | 109 | 123.3 Ų | 123.3 | 71% | 0.708 | 79% | 0.786 | S | S | * | * | cis | -138.2 | 175.3 | 21.7 | 43.9 | -26.9 | 0 | 0 | 0 | 116.9 | ||||
| 16 | L | 41.5 | Very low | 40.5 | Very low | 166 Ų | 166 | 124.3 Ų | 124.3 | 87% | 0.869 | 79% | 0.789 | S | S | * | * | -163.9 | 156.1 | 115 | -101.9 | 173.4 | 0 | 0 | 0 | 110.7 | |||||
| 17 | H | 36 | Very low | 40.6 | Very low | 147 Ų | 147 | 126.2 Ų | 126.2 | 68% | 0.681 | 79% | 0.789 | S | S | * | * | trans | -127.5 | 129.1 | -164 | 167.9 | 91 | 0 | 0 | 0 | 113 | ||||
| 18 | M | 41.5 | Very low | 39.9 | Very low | 163 Ų | 163 | 126.9 Ų | 126.9 | 80% | 0.803 | 79% | 0.788 | S | S | * | * | trans | -147 | 150.7 | 160.2 | -99 | -67 | 106.3 | 0 | 0 | 110 | ||||
| 19 | Q | 37.9 | Very low | 39.8 | Very low | 141 Ų | 141 | 125.9 Ų | 125.9 | 66% | 0.659 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 146.2 | -167.8 | -58.9 | 173.6 | -70.2 | 0 | 0 | 113.8 | ||
| 20 | P | 38.6 | Very low | 39.6 | Very low | 124 Ų | 124 | 126.9 Ų | 126.9 | 81% | 0.805 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -88 | 135.1 | 145.5 | 33.7 | -27.7 | 0 | 0 | 0 | 110.3 | ||
| 21 | V | 44.1 | Very low | 39.6 | Very low | 133 Ų | 133 | 128.5 Ų | 128.5 | 81% | 0.806 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -97 | 154.1 | 176.1 | 177.3 | 0 | 0 | 0 | 0 | 110.6 | ||
| 22 | H | 40.5 | Very low | 39.3 | Very low | 171 Ų | 171 | 131.3 Ų | 131.3 | 79% | 0.792 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 139.4 | -166.3 | -107.9 | -107.8 | 0 | 0 | 0 | 116.1 | ||
| 23 | S | 35.9 | Very low | 39.3 | Very low | 108 Ų | 108 | 134.6 Ų | 134.6 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | trans | 52.8 | 117.9 | 130.2 | -57 | 0 | 0 | 0 | 0 | 121 | ||||
| 24 | G | 39.5 | Very low | 39 | Very low | 66 Ų | 66 | 134.2 Ų | 134.2 | 68% | 0.68 | 78% | 0.775 | S | S | * | * | trans | -149.9 | 137.1 | 151.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 25 | P | 38.7 | Very low | 38.8 | Very low | 126 Ų | 126 | 133.6 Ų | 133.6 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | -81.6 | 128.1 | -176.2 | 31.4 | -33.3 | 0 | 0 | 0 | 112.1 | I27 | P25-I27 PolarHBondContact O-N 3.43Š| ||
| 26 | V | 40 | Very low | 38.6 | Very low | 143 Ų | 143 | 134.6 Ų | 134.6 | 87% | 0.867 | 78% | 0.781 | S | S | * | * | trans | -75.6 | 110.3 | 171 | -101.9 | 0 | 0 | 0 | 0 | 110.5 | S28 | V26-S28 PolarHBondContact O-N 3.08Š| ||
| 27 | I | 40.1 | Very low | 38.5 | Very low | 154 Ų | 154 | 135.2 Ų | 135.2 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | trans | -72.3 | 121.9 | 178.1 | -54 | 174.8 | 0 | 0 | 0 | 109 | P25 S29 | P25-I27 PolarHBondContact O-N 3.43Å; I27-S29 PolarHBondContact O-N 2.81Å; I27-S29 VanDerWaalsContact O-N 3.14Å | ||
| 28 | S | 34.4 | Very low | 38.6 | Very low | 109 Ų | 109 | 133.5 Ų | 133.5 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | trans | -77.4 | 99.7 | -175.6 | -64.9 | 0 | 0 | 0 | 0 | 112 | V26 S30 | V26-S28 PolarHBondContact O-N 3.08Å; S28-S30 PolarHBondContact O-N 3.22Å | ||
| 29 | S | 37.1 | Very low | 38.5 | Very low | 116 Ų | 116 | 131.8 Ų | 131.8 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | trans | -78.6 | 99.9 | 174.7 | -65.2 | 0 | 0 | 0 | 0 | 110.8 | I27 L31 | I27-S29 PolarHBondContact O-N 2.81Å; I27-S29 VanDerWaalsContact O-N 3.14Å; S29-L31 PolarHBondContact O-N 3.36Å | ||
| 30 | S | 38.4 | Very low | 38.4 | Very low | 109 Ų | 109 | 128.5 Ų | 128.5 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | trans | -72.7 | 113 | -177.5 | -62.6 | 0 | 0 | 0 | 0 | 111.7 | S28 N32 | S28-S30 PolarHBondContact O-N 3.22Å; S30-N32 VanDerWaalsContact C-N 3.3Å; S30-N32 PolarHBondContact O-N 3.18Å | ||
| 31 | L | 40.7 | Very low | 38.4 | Very low | 157 Ų | 157 | 130.5 Ų | 130.5 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | trans | -72.9 | 86 | 168.5 | -89.3 | 169 | 0 | 0 | 0 | 110 | S29 L33 | S29-L31 PolarHBondContact O-N 3.36Å; L31-L33 PolarHBondContact O-N 3.14Å | ||
| 32 | N | 37.7 | Very low | 37.9 | Very low | 143 Ų | 143 | 130 Ų | 130 | 77% | 0.765 | 79% | 0.785 | S | S | * | * | trans | -79.9 | 96 | -177.2 | -160.2 | 37.1 | 0 | 0 | 0 | 110.5 | S30 P34 | S30-N32 VanDerWaalsContact C-N 3.3Å; S30-N32 PolarHBondContact O-N 3.18Å; N32-P34 WeakPolarHBondContact O-CD 3.22Å | ||
| 33 | L | 38.4 | Very low | 38 | Very low | 146 Ų | 146 | 129.4 Ų | 129.4 | 76% | 0.764 | 78% | 0.782 | S | S | * | * | trans | -80.3 | 112.5 | 166.6 | -93.9 | 69.7 | 0 | 0 | 0 | 108.8 | L31 N35 | L31-L33 PolarHBondContact O-N 3.14Å; L33-N35 PolarHBondContact O-N 3.28Å | ||
| 34 | P | 36.8 | Very low | 38.1 | Very low | 114 Ų | 114 | 129.5 Ų | 129.5 | 74% | 0.74 | 78% | 0.782 | S | S | * | * | trans | -83 | 98.2 | -178.7 | 32.8 | -31.9 | 0 | 0 | 0 | 110 | N32 | N32-P34 WeakPolarHBondContact O-CD 3.22Š| ||
| 35 | N | 35.7 | Very low | 38 | Very low | 160 Ų | 160 | 129.2 Ų | 129.2 | 86% | 0.856 | 78% | 0.779 | S | S | * | * | trans | -146.7 | 65.9 | 167.7 | -137.4 | 25 | 0 | 0 | 0 | 111.9 | L33 | L33-N35 PolarHBondContact O-N 3.28Š| ||
| 36 | T | 38.2 | Very low | 38.2 | Very low | 131 Ų | 131 | 132.9 Ų | 132.9 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | -133.3 | 99.5 | 177.3 | 54.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 37 | L | 39.3 | Very low | 37.9 | Very low | 178 Ų | 178 | 129.6 Ų | 129.6 | 93% | 0.932 | 78% | 0.78 | S | S | * | * | trans | -110.9 | 114.2 | 161.8 | -84.4 | 167.2 | 0 | 0 | 0 | 107.8 | ||||
| 38 | P | 37.2 | Very low | 38.1 | Very low | 112 Ų | 112 | 130.8 Ų | 130.8 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | -148.4 | -176.9 | 128.8 | 39.8 | -25.1 | 0 | 0 | 0 | 112.3 | |||||
| 39 | P | 39.9 | Very low | 38.2 | Very low | 126 Ų | 126 | 133.4 Ų | 133.4 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | cis | -120.1 | 169.3 | -49 | 35.3 | -22.4 | 0 | 0 | 0 | 110.9 | ||||
| 40 | G | 36.4 | Very low | 38.5 | Very low | 73 Ų | 73 | 135 Ų | 135 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | trans | -101.3 | 165.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 41 | M | 37.7 | Very low | 38.7 | Very low | 165 Ų | 165 | 135.7 Ų | 135.7 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | trans | -152.7 | 144.7 | 162.1 | -78.4 | -143.5 | 113.3 | 0 | 0 | 111.7 | ||||
| 42 | L | 33.6 | Very low | 38.5 | Very low | 124 Ų | 124 | 131.5 Ų | 131.5 | 65% | 0.649 | 78% | 0.782 | S | S | * | * | trans | 38.1 | 149.2 | 137.1 | -50.1 | 178.1 | 0 | 0 | 0 | 120.1 | ||||
| 43 | H | 41.9 | Very low | 38.8 | Very low | 157 Ų | 157 | 130.5 Ų | 130.5 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | cis | -166.7 | 159.3 | 21.9 | -150.9 | 54 | 0 | 0 | 0 | 112 | ||||
| 44 | S | 39.6 | Very low | 39 | Very low | 110 Ų | 110 | 132.5 Ų | 132.5 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | trans | 60.8 | 159 | 161.6 | -68.3 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 45 | G | 36.7 | Very low | 39.2 | Very low | 60 Ų | 60 | 133.6 Ų | 133.6 | 62% | 0.619 | 79% | 0.789 | S | S | * | * | cis | 167.6 | 156.6 | -7.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 46 | H | 41.6 | Very low | 39.8 | Very low | 203 Ų | 203 | 137.8 Ų | 137.8 | 94% | 0.94 | 79% | 0.793 | S | S | * | * | trans | 69.7 | 136.7 | -173.7 | -52.5 | -0.3 | 0 | 0 | 0 | 115.2 | ||||
| 47 | G | 35.2 | Very low | 39.6 | Very low | 74 Ų | 74 | 139 Ų | 139 | 76% | 0.763 | 79% | 0.789 | S | S | * | * | cis | 116.9 | 80.6 | -16.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 48 | I | 44.7 | Very low | 40.1 | Very low | 179 Ų | 179 | 136.2 Ų | 136.2 | 92% | 0.918 | 78% | 0.781 | S | S | * | * | trans | -134.4 | 160.5 | 156.5 | -72.6 | -169.7 | 0 | 0 | 0 | 108.8 | ||||
| 49 | Q | 35.7 | Very low | 40.5 | Very low | 165 Ų | 165 | 134 Ų | 134 | 77% | 0.771 | 77% | 0.772 | S | S | * | * | trans | -127.7 | 168.8 | -157.7 | -176.2 | -174.8 | 90 | 0 | 0 | 111.5 | ||||
| 50 | M | 43 | Very low | 40.9 | Very low | 149 Ų | 149 | 134.8 Ų | 134.8 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | trans | 120 | 135.4 | 148.6 | -63.5 | -66.5 | -87.1 | 0 | 0 | 118.1 | ||||
| 51 | S | 43 | Very low | 41.4 | Very low | 123 Ų | 123 | 137.2 Ų | 137.2 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | trans | 66.6 | 146.2 | 162.2 | -52.6 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 52 | G | 37 | Very low | 41.9 | Very low | 69 Ų | 69 | 134.3 Ų | 134.3 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | cis | 155.2 | 121.9 | -3.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 53 | P | 43.4 | Very low | 42.4 | Very low | 123 Ų | 123 | 134.8 Ų | 134.8 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | trans | -90.2 | 158.2 | -168.2 | 35.6 | -36.3 | 0 | 0 | 0 | 114.2 | ||||
| 54 | H | 43.4 | Very low | 42.7 | Very low | 187 Ų | 187 | 131.4 Ų | 131.4 | 87% | 0.866 | 80% | 0.802 | S | S | * | * | trans | -155.7 | 164.8 | 160.2 | -108.1 | -55.3 | 0 | 0 | 0 | 113.4 | ||||
| 55 | D | 40.7 | Very low | 43 | Very low | 137 Ų | 137 | 132.2 Ų | 132.2 | 73% | 0.733 | 81% | 0.807 | S | S | * | * | trans | -85.3 | 158 | -155.6 | -44.1 | -104.2 | 0 | 0 | 0 | 116.2 | ||||
| 56 | R | 47.5 | Very low | 43.2 | Very low | 249 Ų | 249 | 133.1 Ų | 133.1 | 94% | 0.94 | 82% | 0.816 | S | S | * | * | trans | -160 | 110.4 | 139.3 | -134.4 | 176.7 | 177.1 | 111.3 | -0.7 | 114.7 | ||||
| 57 | E | 35 | Very low | 43.5 | Very low | 156 Ų | 156 | 129 Ų | 129 | 73% | 0.729 | 81% | 0.807 | S | S | * | * | trans | -89.6 | 166.8 | 155.8 | -143.6 | -154.2 | 116.5 | 0 | 0 | 109.1 | A59 | E57-A59 PolarHBondContact OE1-N 3Š| ||
| 58 | P | 49.7 | Very low | 44 | Very low | 119 Ų | 119 | 133 Ų | 133 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | -155.1 | 145.1 | 78.2 | 38.9 | -17.9 | 0 | 0 | 0 | 118.9 | |||||
| 59 | A | 45.6 | Very low | 43.8 | Very low | 65 Ų | 65 | 129.8 Ų | 129.8 | 54% | 0.537 | 80% | 0.8 | S | S | . | * | trans | 45.9 | 127.5 | 134.5 | 0 | 0 | 0 | 0 | 0 | 122.3 | E57 | E57-A59 PolarHBondContact OE1-N 3Š| ||
| 60 | T | 47.6 | Very low | 44.1 | Very low | 143 Ų | 143 | 126.6 Ų | 126.6 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | -171.3 | 156.9 | 97.2 | 23.4 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 61 | P | 47.5 | Very low | 44 | Very low | 125 Ų | 125 | 127.6 Ų | 127.6 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | trans | -114.9 | 163.6 | -165.6 | 41.2 | -32.7 | 0 | 0 | 0 | 116.2 | ||||
| 62 | A | 47.6 | Very low | 43.9 | Very low | 104 Ų | 104 | 132.8 Ų | 132.8 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | trans | -147.9 | 153.2 | 160.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 63 | S | 43.6 | Very low | 43.7 | Very low | 134 Ų | 134 | 138.9 Ų | 138.9 | 94% | 0.937 | 81% | 0.809 | S | S | * | * | trans | -99.1 | 152.4 | -167.1 | -58.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 64 | G | 49 | Very low | 43.6 | Very low | 86 Ų | 86 | 137.9 Ų | 137.9 | 89% | 0.887 | 81% | 0.805 | S | S | * | * | trans | -165.1 | 103.1 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 65 | S | 44.4 | Very low | 43.6 | Very low | 126 Ų | 126 | 135.2 Ų | 135.2 | 88% | 0.881 | 80% | 0.802 | S | S | * | * | trans | -109.1 | 142.2 | -170.5 | 56 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 66 | G | 42.7 | Very low | 43.6 | Very low | 79 Ų | 79 | 136.3 Ų | 136.3 | 81% | 0.814 | 81% | 0.807 | S | S | * | * | trans | -170.5 | 104.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 67 | P | 46.2 | Very low | 43.6 | Very low | 116 Ų | 116 | 128.3 Ų | 128.3 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | trans | -120.8 | 132.8 | 178.2 | 36.5 | -23.9 | 0 | 0 | 0 | 114.2 | ||||
| 68 | I | 47.2 | Very low | 44.1 | Very low | 160 Ų | 160 | 128.4 Ų | 128.4 | 82% | 0.821 | 80% | 0.804 | S | S | * | * | trans | -145.5 | 114.7 | 159.6 | -54 | 179.7 | 0 | 0 | 0 | 110.7 | ||||
| 69 | P | 39.7 | Very low | 43.9 | Very low | 110 Ų | 110 | 130.4 Ų | 130.4 | 71% | 0.714 | 81% | 0.808 | S | S | * | * | trans | -110.6 | 147.6 | 153.4 | 36 | -27.2 | 0 | 0 | 0 | 111 | ||||
| 70 | S | 42.6 | Very low | 44.2 | Very low | 98 Ų | 98 | 132.9 Ų | 132.9 | 69% | 0.685 | 82% | 0.819 | S | S | * | * | trans | -139.8 | 121.1 | 176.5 | -69.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 71 | H | 39.6 | Very low | 44.2 | Very low | 171 Ų | 171 | 129.5 Ų | 129.5 | 79% | 0.792 | 81% | 0.812 | S | S | * | * | trans | -94.3 | 142.7 | 173.5 | -58.2 | -107.7 | 0 | 0 | 0 | 110.4 | ||||
| 72 | Y | 41.4 | Very low | 44.4 | Very low | 231 Ų | 231 | 129.5 Ų | 129.5 | 91% | 0.906 | 82% | 0.815 | S | S | * | * | trans | -139.5 | 132.8 | 154.3 | -75.4 | -71.8 | 0 | 0 | 0 | 111 | ||||
| 73 | F | 34.2 | Very low | 44.9 | Very low | 198 Ų | 198 | 129.3 Ų | 129.3 | 87% | 0.868 | 81% | 0.805 | S | S | * | * | trans | -123.3 | 126.8 | 178.8 | 163.9 | -83.2 | 0 | 0 | 0 | 108.3 | ||||
| 74 | S | 39.8 | Very low | 45.5 | Very low | 102 Ų | 102 | 130.8 Ų | 130.8 | 71% | 0.713 | 80% | 0.797 | S | S | * | * | trans | 178 | 149.1 | 171.1 | -82.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 75 | T | 43.1 | Very low | 45.8 | Very low | 131 Ų | 131 | 131.7 Ų | 131.7 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | cis | -155 | 166.9 | -7.7 | 9.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 76 | L | 42.6 | Very low | 46.2 | Very low | 160 Ų | 160 | 132.8 Ų | 132.8 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | trans | -65 | 153.2 | 178.3 | -68.9 | 161.1 | 0 | 0 | 0 | 113.9 | M78 | L76-M78 HydrophobicContact CB-SD 4.18Š| ||
| 77 | G | 46.3 | Very low | 46.6 | Very low | 80 Ų | 80 | 134.5 Ų | 134.5 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | trans | -156 | 98.6 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 78 | M | 46.8 | Very low | 46.6 | Very low | 159 Ų | 159 | 135.5 Ų | 135.5 | 78% | 0.783 | 78% | 0.777 | S | S | * | * | trans | -92.8 | 152.2 | -179.7 | -57.6 | 92.1 | 74.6 | 0 | 0 | 112.4 | L76 | L76-M78 HydrophobicContact CB-SD 4.18Š| ||
| 79 | N | 44.8 | Very low | 46.8 | Very low | 160 Ų | 160 | 135.1 Ų | 135.1 | 86% | 0.856 | 77% | 0.774 | S | S | * | * | trans | -145.8 | 121.1 | 152.9 | -165.4 | 16.7 | 0 | 0 | 0 | 110.7 | ||||
| 80 | P | 52.3 | Low | 47.3 | Very low | 118 Ų | 118 | 135.8 Ų | 135.8 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | trans | -111.8 | 168.5 | -175.5 | 40.4 | -33.6 | 0 | 0 | 0 | 114.9 | ||||
| 81 | G | 46.5 | Very low | 47.4 | Very low | 72 Ų | 72 | 136.1 Ų | 136.1 | 74% | 0.742 | 78% | 0.775 | S | S | * | * | trans | 118.2 | 145.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 82 | S | 52.8 | Low | 47.8 | Very low | 124 Ų | 124 | 136.8 Ų | 136.8 | 87% | 0.867 | 78% | 0.778 | S | S | * | * | cis | -147.4 | 162.3 | 1.3 | -64.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 83 | P | 57.7 | Low | 47.8 | Very low | 101 Ų | 101 | 129 Ų | 129 | 66% | 0.656 | 77% | 0.769 | S | S | * | * | trans | -125.4 | -162.7 | -153.5 | 29.4 | -6.9 | 0 | 0 | 0 | 116.3 | ||||
| 84 | H | 57.1 | Low | 48.1 | Very low | 164 Ų | 164 | 129.2 Ų | 129.2 | 76% | 0.759 | 77% | 0.772 | S | S | * | * | trans | 98.5 | 159.8 | 163 | -50.1 | -60.3 | 0 | 0 | 0 | 117.9 | ||||
| 85 | P | 53.4 | Low | 48.3 | Very low | 105 Ų | 105 | 129.6 Ų | 129.6 | 68% | 0.682 | 77% | 0.772 | S | S | * | * | cis | -133.2 | 153.8 | -46.2 | 37.4 | -21.1 | 0 | 0 | 0 | 113.5 | ||||
| 86 | I | 54.5 | Low | 48.1 | Very low | 149 Ų | 149 | 128.7 Ų | 128.7 | 76% | 0.764 | 77% | 0.771 | S | S | * | * | 53.3 | 133.7 | 94.1 | -48.6 | 169.3 | 0 | 0 | 0 | 113.4 | |||||
| 87 | P | 50 | Low | 48 | Very low | 116 Ų | 116 | 129 Ų | 129 | 75% | 0.753 | 77% | 0.768 | S | S | * | * | cis | -142.2 | 140.5 | 36.4 | 22 | 5.1 | 0 | 0 | 0 | 121.5 | ||||
| 88 | N | 46.8 | Very low | 47.7 | Very low | 136 Ų | 136 | 133.9 Ų | 133.9 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | 65.5 | 132.1 | 104.2 | -141 | 25.4 | 0 | 0 | 0 | 125.2 | |||||
| 89 | M | 50 | Low | 47.4 | Very low | 152 Ų | 152 | 133.6 Ų | 133.6 | 75% | 0.749 | 76% | 0.764 | S | S | * | * | trans | 73.3 | 154.8 | 158 | -35.8 | -144.8 | 96.5 | 0 | 0 | 118.6 | ||||
| 90 | V | 50.3 | Low | 47.2 | Very low | 125 Ų | 125 | 134.7 Ų | 134.7 | 76% | 0.758 | 76% | 0.763 | S | S | * | * | cis | -134.5 | 146.6 | 14.2 | 176.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 91 | P | 44.6 | Very low | 46.6 | Very low | 104 Ų | 104 | 136 Ų | 136 | 68% | 0.675 | 76% | 0.758 | S | S | * | * | trans | -98.8 | 146.1 | -173 | 37.1 | -34 | 0 | 0 | 0 | 115.4 | ||||
| 92 | H | 49 | Very low | 46.3 | Very low | 185 Ų | 185 | 137.5 Ų | 137.5 | 86% | 0.856 | 76% | 0.755 | S | S | * | * | trans | -155.5 | 142.7 | 163.1 | -87.4 | 90.7 | 0 | 0 | 0 | 111.3 | ||||
| 93 | G | 40.9 | Very low | 45.6 | Very low | 68 Ų | 68 | 138.3 Ų | 138.3 | 70% | 0.701 | 75% | 0.749 | S | S | * | * | trans | 76.3 | 133.7 | 156.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | P95 | G93-P95 VanDerWaalsContact O-CD 3.22Å; G93-P95 WeakPolarHBondContact O-CD 3.35Å | ||
| 94 | H | 41.7 | Very low | 44.9 | Very low | 202 Ų | 202 | 140.6 Ų | 140.6 | 94% | 0.935 | 76% | 0.755 | S | S | * | * | trans | -60.3 | 134.1 | 174.2 | -65.4 | -107.4 | 0 | 0 | 0 | 112.6 | ||||
| 95 | P | 42.4 | Very low | 43.8 | Very low | 110 Ų | 110 | 137.2 Ų | 137.2 | 71% | 0.714 | 75% | 0.75 | S | S | * | * | trans | -119.6 | 148.2 | 130.6 | 35.3 | -32 | 0 | 0 | 0 | 111.2 | G93 Q97 | G93-P95 VanDerWaalsContact O-CD 3.22Å; G93-P95 WeakPolarHBondContact O-CD 3.35Å; P95-Q97 PolarHBondContact O-N 2.81Å | ||
| 96 | S | 40.3 | Very low | 43.2 | Very low | 112 Ų | 112 | 137.3 Ų | 137.3 | 78% | 0.783 | 74% | 0.744 | S | S | * | * | trans | -58 | 132.7 | 174.4 | -59.4 | 0 | 0 | 0 | 0 | 110.8 | F98 | S96-F98 PolarHBondContact O-N 2.97Š| ||
| 97 | Q | 39.6 | Very low | 42.2 | Very low | 168 Ų | 168 | 137.8 Ų | 137.8 | 79% | 0.785 | 75% | 0.748 | S | S | * | * | trans | -65.5 | 122.2 | 178.4 | -74.7 | -169.2 | -9.2 | 0 | 0 | 110.9 | P95 H99 | P95-Q97 PolarHBondContact O-N 2.81Å; Q97-H99 VanDerWaalsContact C-N 3.27Å; Q97-H99 PolarHBondContact O-N 3.28Å; Q97-H99 PolarHBondContact O-ND1 3.39Å; Q97-H99 VanDerWaalsContact O-ND1 3.08Å | ||
| 98 | F | 40 | Very low | 41.4 | Very low | 182 Ų | 182 | 142.5 Ų | 142.5 | 80% | 0.798 | 75% | 0.751 | S | S | * | * | trans | -59.1 | 89.2 | 166.8 | -75.3 | -93.8 | 0 | 0 | 0 | 110 | S96 H100 | S96-F98 PolarHBondContact O-N 2.97Å; F98-H100 PolarHBondContact O-N 2.89Å | ||
| 99 | H | 39.8 | Very low | 40.7 | Very low | 153 Ų | 153 | 140.6 Ų | 140.6 | 71% | 0.708 | 74% | 0.741 | S | S | * | * | trans | -58.2 | 125.8 | 160.1 | -73.9 | 60.7 | 0 | 0 | 0 | 106.6 | Q97 H101 | Q97-H99 VanDerWaalsContact C-N 3.27Å; Q97-H99 PolarHBondContact O-N 3.28Å; Q97-H99 PolarHBondContact O-ND1 3.39Å; Q97-H99 VanDerWaalsContact O-ND1 3.08Å; H99-H101 PolarHBondContact O-N 2.83Å | ||
| 100 | H | 42.1 | Very low | 40.1 | Very low | 183 Ų | 183 | 138.9 Ų | 138.9 | 85% | 0.847 | 74% | 0.741 | S | S | * | * | trans | -57.5 | 115.5 | 175.6 | -78.8 | 34.5 | 0 | 0 | 0 | 108 | F98 P102 | F98-H100 PolarHBondContact O-N 2.89Å; H100-P102 WeakPolarHBondContact O-CD 3.46Å | ||
| 101 | H | 39 | Very low | 40 | Very low | 144 Ų | 144 | 138.4 Ų | 138.4 | 67% | 0.667 | 73% | 0.73 | S | S | * | * | trans | -58.1 | 126.2 | 178 | -64 | -84.4 | 0 | 0 | 0 | 108.7 | H99 L103 | H99-H101 PolarHBondContact O-N 2.83Å; H101-L103 HydrophobicContact CB-CD2 4.26Å; H101-L103 HydrophobicContact CB-CG 3.86Å; H101-L103 PolarHBondContact O-N 3.48Å | ||
| 102 | P | 40.1 | Very low | 40.2 | Very low | 104 Ų | 104 | 139.7 Ų | 139.7 | 68% | 0.675 | 73% | 0.731 | S | S | * | * | trans | -74.5 | 58.9 | 164.2 | 33.5 | -35 | 0 | 0 | 0 | 109.7 | H100 S105 | H100-P102 WeakPolarHBondContact O-CD 3.46Å; P102-S105 PolarHBondContact O-N 3.25Å; P102-S105 PolarHBondContact O-OG 3.1Å | ||
| 103 | L | 38.8 | Very low | 40.3 | Very low | 141 Ų | 141 | 137.7 Ų | 137.7 | 74% | 0.738 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.3 | 146.5 | 154.7 | -59 | -177.2 | 0 | 0 | 0 | 107 | H101 | H101-L103 HydrophobicContact CB-CD2 4.26Å; H101-L103 HydrophobicContact CB-CG 3.86Å; H101-L103 PolarHBondContact O-N 3.48Å |
| 104 | L | 43.3 | Very low | 41.3 | Very low | 150 Ų | 150 | 135.5 Ų | 135.5 | 79% | 0.785 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 69.3 | 36 | -168.8 | -38.1 | 179.9 | 0 | 0 | 0 | 114.5 | L106 | L104-L106 HydrophobicContact CD2-CD1 4.03Å; L104-L106 PolarHBondContact O-N 3.35Å |
| 105 | S | 32.9 | Very low | 43.2 | Very low | 93 Ų | 93 | 130.3 Ų | 130.3 | 65% | 0.65 | 68% | 0.678 | S | S | * | * | trans | -67.9 | 56.3 | 147.3 | -65.1 | 0 | 0 | 0 | 0 | 111 | P102 N107 | P102-S105 PolarHBondContact O-N 3.25Å; P102-S105 PolarHBondContact O-OG 3.1Å; S105-N107 PolarHBondContact O-N 2.91Å | ||
| 106 | L | 41.7 | Very low | 45.5 | Very low | 106 Ų | 106 | 125.1 Ų | 125.1 | 56% | 0.555 | 64% | 0.644 | S | S | * | * | trans | -77.6 | 41.9 | -177.1 | -110.4 | 162.1 | 0 | 0 | 0 | 111.5 | L104 R108 L109 | L104-L106 HydrophobicContact CD2-CD1 4.03Å; L104-L106 PolarHBondContact O-N 3.35Å; L106-R108 VanDerWaalsContact C-N 3.3Å; L106-R108 PolarHBondContact O-N 3.4Å; L106-L109 HydrophobicContact CD2-CD1 3.96Å | ||
| 107 | N | 32.4 | Very low | 47.9 | Very low | 159 Ų | 159 | 122.3 Ų | 122.3 | 85% | 0.85 | 62% | 0.619 | S | S | * | * | trans | -91 | 12.1 | -177.3 | -94.2 | 81.1 | 0 | 0 | 0 | 113.9 | S105 | S105-N107 PolarHBondContact O-N 2.91Š| ||
| 108 | R | 33.8 | Very low | 50.5 | Low | 215 Ų | 215 | 118.5 Ų | 118.5 | 81% | 0.811 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -123.2 | 131.3 | 148.5 | -63.2 | -173.8 | -175.7 | -150.6 | 3.9 | 106.9 | L106 | L106-R108 VanDerWaalsContact C-N 3.3Å; L106-R108 PolarHBondContact O-N 3.4Å |
| 109 | L | 31.3 | Very low | 53.1 | Low | 97 Ų | 97 | 111.7 Ų | 111.7 | 51% | 0.508 | 57% | 0.572 | S | S | . | * | trans | 159.5 | 66.9 | 141.3 | -82.3 | 168.5 | 0 | 0 | 0 | 111.1 | L106 H111 | L106-L109 HydrophobicContact CD2-CD1 3.96Å; L109-H111 VanDerWaalsContact CA-CD2 3.44Å; L109-H111 WeakPolarHBondContact CA-CD2 3.44Å; L109-H111 VanDerWaalsContact CD2-CD2 3.46Å; L109-H111 WeakPolarHBondContact CD2-CD2 3.49Å; L109-H111 PolarHBondContact O-N 2.95Å | ||
| 110 | P | 39.1 | Very low | 55.8 | Low | 116 Ų | 116 | 104.6 Ų | 104.6 | 75% | 0.753 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | 39 | 167 | 35.8 | -39 | 0 | 0 | 0 | 112.7 | ||
| 111 | H | 48 | Very low | 58.3 | Low | 114 Ų | 114 | 102.2 Ų | 102.2 | 53% | 0.528 | 53% | 0.527 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.8 | 8 | -175.1 | -24.1 | -97.8 | 0 | 0 | 0 | 113 | L109 | L109-H111 VanDerWaalsContact CA-CD2 3.44Å; L109-H111 WeakPolarHBondContact CA-CD2 3.44Å; L109-H111 VanDerWaalsContact CD2-CD2 3.46Å; L109-H111 WeakPolarHBondContact CD2-CD2 3.49Å; L109-H111 PolarHBondContact O-N 2.95Å |
| 112 | L | 48.6 | Very low | 61 | Low | 132 Ų | 132 | 99.7 Ų | 99.7 | 69% | 0.691 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -92.4 | -13.4 | 172.9 | -82.3 | 161.8 | 0 | 0 | 0 | 112.8 | ||
| 113 | I | 50.7 | Low | 63.8 | Low | 142 Ų | 142 | 94.7 Ų | 94.7 | 73% | 0.728 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -98 | 121.2 | 165.1 | -78.9 | 167.2 | 0 | 0 | 0 | 106.5 | ||
| 114 | G | 62.4 | Low | 66.6 | Low | 22 Ų | 22 | 88.9 Ų | 88.9 | 23% | 0.227 | 45% | 0.453 | C | S | . | . | trans | 98.7 | 26.6 | 167.5 | 0 | 0 | 0 | 0 | 0 | 118.9 | P116 L204 M241 | G114-P116 WeakPolarHBondContact O-CD 3.26Å; G114-L204 WeakPolarHBondContact O-CD2 3.27Å; G114-M241 VanDerWaalsContact CA-CE 3.5Å | ||
| 115 | Q | 82 | Confident | 69.2 | Low | 94 Ų | 94 | 86.5 Ų | 86.5 | 44% | 0.439 | 44% | 0.436 | S | S | . | . | trans | -74.7 | 117.5 | 166.6 | -75.5 | -171.6 | -15.2 | 0 | 0 | 111 | E117 L118 | Q115-E117 PolarHBondContact O-N 3.36Å; Q115-L118 HydrophobicContact CB-CB 4.45Å; Q115-L118 HydrophobicContact CB-CD1 3.93Å; Q115-L118 HydrophobicContact CB-CG 3.9Å; Q115-L118 PolarHBondContact O-N 3.45Å | ||
| 116 | P | 89.2 | Confident | 72.2 | Confident | 0 Ų | 0 | 85.1 Ų | 85.1 | 0% | 0 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -69.8 | -29.7 | -173.3 | 23.6 | -27.9 | 0 | 0 | 0 | 113.2 | G114 L118 R119 I120 E197 L204 L206 F235 | G114-P116 WeakPolarHBondContact O-CD 3.26Å; P116-L118 VanDerWaalsContact C-N 3.28Å; P116-L118 PolarHBondContact O-N 3.23Å; P116-R119 PolarHBondContact O-N 3.25Å; P116-I120 PolarHBondContact O-N 3.33Å; P116-E197 VanDerWaalsContact CD-OE2 3.31Å; P116-E197 WeakPolarHBondContact CD-OE2 3.4Å; P116-E197 HydrophobicContact CG-CG 4.02Å; P116-L204 HydrophobicContact CB-CD2 4.27Å; P116-L204 HydrophobicContact CG-CD2 3.94Å; P116-L204 HydrophobicContact CG-CG 4.48Å; P116-L206 HydrophobicContact CB-CB 4.17Å; P116-L206 HydrophobicContact CB-CD1 3.85Å; P116-L206 HydrophobicContact CG-CB 4.19Å; P116-L206 HydrophobicContact CG-CD1 3.94Å; P116-L206 HydrophobicContact CG-CG 4.48Å; P116-F235 HydrophobicContact CB-CD2 3.79Å; P116-F235 HydrophobicContact CB-CE2 3.48Å; P116-F235 VanDerWaalsContact CB-CE2 3.48Å; P116-F235 HydrophobicContact CB-CG 4.49Å; P116-F235 HydrophobicContact CB-CZ 3.95Å |
| 117 | E | 91.7 | Very high | 74.9 | Confident | 54 Ų | 54 | 80.1 Ų | 80.1 | 25% | 0.252 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60.1 | -35.9 | 173.4 | -73 | 72.6 | -165.7 | 0 | 0 | 112.6 | Q115 R119 I120 F121 N195 L206 | Q115-E117 PolarHBondContact O-N 3.36Å; E117-R119 VanDerWaalsContact C-N 3.31Å; E117-R119 PolarHBondContact O-N 2.96Å; E117-I120 PolarHBondContact O-N 2.86Å; E117-F121 PolarHBondContact O-N 3.02Å; E117-N195 WeakPolarHBondContact CG-ND2 3.39Å; E117-N195 WeakPolarHBondContact OE1-CB 3.4Å; E117-N195 PolarHBondContact OE1-ND2 3.46Å; E117-L206 HydrophobicContact CG-CD1 4.23Å; E117-L206 WeakPolarHBondContact OE1-CD1 3.33Å |
| 118 | L | 92.7 | Very high | 77.9 | Confident | 87 Ų | 87 | 78 Ų | 78 | 46% | 0.455 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65.8 | -36.6 | -179.9 | -65.8 | -177.3 | 0 | 0 | 0 | 111.2 | Q115 P116 I120 F121 E122 | Q115-L118 HydrophobicContact CB-CB 4.45Å; Q115-L118 HydrophobicContact CB-CD1 3.93Å; Q115-L118 HydrophobicContact CB-CG 3.9Å; Q115-L118 PolarHBondContact O-N 3.45Å; P116-L118 VanDerWaalsContact C-N 3.28Å; P116-L118 PolarHBondContact O-N 3.23Å; L118-I120 VanDerWaalsContact C-N 3.32Å; L118-I120 PolarHBondContact O-N 3.42Å; L118-F121 WeakPolarHBondContact O-CB 3.4Å; L118-F121 PolarHBondContact O-N 3.31Å; L118-E122 WeakPolarHBondContact O-CG 3.37Å; L118-E122 PolarHBondContact O-N 3.49Å |
| 119 | R | 95.1 | Very high | 80.7 | Confident | 40 Ų | 40 | 73.7 Ų | 73.7 | 15% | 0.151 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -65.4 | -35.7 | 175.7 | -60.9 | -67.6 | -72.8 | 129.6 | -2.1 | 111.9 | P116 E117 E122 M123 D145 F235 L240 M241 | P116-R119 PolarHBondContact O-N 3.25Å; E117-R119 VanDerWaalsContact C-N 3.31Å; E117-R119 PolarHBondContact O-N 2.96Å; R119-E122 IonicContact CZ-OE2 2.83Å; R119-E122 IonicContact NH1-OE2 3.24Å; R119-E122 PolarHBondContact NH1-OE2 2.84Å; R119-E122 PolarHBondContact O-N 3.45Å; R119-M123 WeakPolarHBondContact O-CB 3.45Å; R119-M123 PolarHBondContact O-N 2.97Å; R119-D145 PolarHBondContact NH2-O 3.47Å; R119-F235 HydrophobicContact CB-CE1 3.86Å; R119-F235 HydrophobicContact CB-CZ 4.47Å; R119-F235 HydrophobicContact CG-CE1 4.34Å; R119-L240 PolarHBondContact NE-O 3.29Å; R119-L240 PolarHBondContact NH2-O 2.92Å; R119-M241 HydrophobicContact CG-CB 3.9Å; R119-M241 PolarHBondContact NE-O 3.06Å; R119-M241 PolarHBondContact NH2-O 2.92Å |
| 120 | I | 96.3 | Very high | 83.6 | Confident | 3 Ų | 3 | 70.5 Ų | 70.5 | 2% | 0.015 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -73.1 | -35 | 173.9 | -62.5 | -63 | 0 | 0 | 0 | 111.7 | P116 E117 L118 M123 N124 L192 L233 F235 I243 W246 | P116-I120 PolarHBondContact O-N 3.33Å; E117-I120 PolarHBondContact O-N 2.86Å; L118-I120 VanDerWaalsContact C-N 3.32Å; L118-I120 PolarHBondContact O-N 3.42Å; I120-M123 HydrophobicContact CD1-CE 4.08Å; I120-M123 HydrophobicContact CD1-SD 4.31Å; I120-M123 HydrophobicContact CG2-CE 4.37Å; I120-M123 PolarHBondContact O-N 3.22Å; I120-N124 WeakPolarHBondContact O-CB 3.35Å; I120-N124 PolarHBondContact O-N 3.36Å; I120-N124 PolarHBondContact O-ND2 2.71Å; I120-L192 HydrophobicContact CB-CD1 4.18Å; I120-L192 HydrophobicContact CG1-CD1 4.05Å; I120-L192 HydrophobicContact CG2-CD1 3.99Å; I120-L192 HydrophobicContact CG2-CG 4.29Å; I120-L233 HydrophobicContact CD1-CD1 3.64Å; I120-L233 HydrophobicContact CG1-CD1 3.79Å; I120-F235 HydrophobicContact CD1-CZ 4.38Å; I120-F235 HydrophobicContact CG1-CZ 4.21Å; I120-I243 HydrophobicContact CD1-CD1 3.78Å; I120-W246 HydrophobicContact CD1-CZ3 4.07Å |
| 121 | F | 95.1 | Very high | 86.1 | Confident | 134 Ų | 134 | 68.2 Ų | 68.2 | 59% | 0.588 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -62.9 | -43.4 | 169.8 | 175 | -98.7 | 0 | 0 | 0 | 112.2 | E117 L118 N124 K125 | E117-F121 PolarHBondContact O-N 3.02Å; L118-F121 WeakPolarHBondContact O-CB 3.4Å; L118-F121 PolarHBondContact O-N 3.31Å; F121-N124 PolarHBondContact O-N 3.42Å; F121-K125 WeakPolarHBondContact O-CB 3.34Å; F121-K125 PolarHBondContact O-N 3.23Å |
| 122 | E | 96.5 | Very high | 88 | Confident | 90 Ų | 90 | 69 Ų | 69 | 42% | 0.421 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.8 | -44.2 | 173.7 | -73.6 | 179.2 | 154.8 | 0 | 0 | 112.4 | L118 R119 K125 R126 F146 | L118-E122 WeakPolarHBondContact O-CG 3.37Å; L118-E122 PolarHBondContact O-N 3.49Å; R119-E122 IonicContact CZ-OE2 2.83Å; R119-E122 IonicContact NH1-OE2 3.24Å; R119-E122 PolarHBondContact NH1-OE2 2.84Å; R119-E122 PolarHBondContact O-N 3.45Å; E122-K125 WeakPolarHBondContact O-CB 3.45Å; E122-K125 PolarHBondContact O-N 3.26Å; E122-R126 WeakPolarHBondContact O-CB 3.4Å; E122-R126 PolarHBondContact O-N 3.45Å; E122-F146 HydrophobicContact CB-CE1 3.83Å; E122-F146 HydrophobicContact CB-CZ 4.17Å |
| 123 | M | 97.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.2 | -45.7 | 176.7 | -175.1 | -161.5 | 70.3 | 0 | 0 | 111.5 | R119 I120 K125 R126 L127 F142 F146 Y190 W246 | R119-M123 WeakPolarHBondContact O-CB 3.45Å; R119-M123 PolarHBondContact O-N 2.97Å; I120-M123 HydrophobicContact CD1-CE 4.08Å; I120-M123 HydrophobicContact CD1-SD 4.31Å; I120-M123 HydrophobicContact CG2-CE 4.37Å; I120-M123 PolarHBondContact O-N 3.22Å; M123-K125 VanDerWaalsContact C-N 3.35Å; M123-K125 PolarHBondContact O-N 3.47Å; M123-R126 PolarHBondContact O-N 3.44Å; M123-L127 HydrophobicContact CE-CD1 4.47Å; M123-L127 HydrophobicContact CG-CD1 4.46Å; M123-L127 WeakPolarHBondContact O-CG 3.48Å; M123-L127 PolarHBondContact O-N 2.9Å; M123-F142 HydrophobicContact CG-CE2 3.72Å; M123-F142 HydrophobicContact CG-CZ 3.63Å; M123-F142 HydrophobicContact SD-CZ 4.26Å; M123-F146 VanDerWaalsContact CA-CZ 3.43Å; M123-F146 HydrophobicContact CB-CD1 3.81Å; M123-F146 HydrophobicContact CB-CD2 4.16Å; M123-F146 HydrophobicContact CB-CE1 3.79Å; M123-F146 HydrophobicContact CB-CE2 4.16Å; M123-F146 HydrophobicContact CB-CG 4.02Å; M123-F146 HydrophobicContact CB-CZ 3.99Å; M123-F146 HydrophobicContact CG-CD1 4.33Å; M123-F146 HydrophobicContact CG-CD2 3.97Å; M123-F146 HydrophobicContact CG-CE2 4.28Å; M123-F146 HydrophobicContact CG-CG 4.02Å; M123-Y190 HydrophobicContact CE-CD2 3.56Å; M123-Y190 HydrophobicContact CE-CE2 4.01Å; M123-Y190 HydrophobicContact CE-CG 4.42Å; M123-W246 HydrophobicContact CE-CH2 3.82Å; M123-W246 HydrophobicContact CE-CZ3 3.91Å; M123-W246 HydrophobicContact SD-CH2 4.27Å; M123-W246 HydrophobicContact SD-CZ3 3.81Å |
| 124 | N | 97.8 | Very high | 91.8 | Very high | 18 Ų | 18 | 64 Ų | 64 | 10% | 0.096 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -57.7 | -46.6 | 173.3 | -72.8 | -29.6 | 0 | 0 | 0 | 111.6 | I120 F121 R126 L127 Q128 Y189 Y190 | I120-N124 WeakPolarHBondContact O-CB 3.35Å; I120-N124 PolarHBondContact O-N 3.36Å; I120-N124 PolarHBondContact O-ND2 2.71Å; F121-N124 PolarHBondContact O-N 3.42Å; N124-R126 VanDerWaalsContact C-N 3.33Å; N124-R126 PolarHBondContact O-N 2.94Å; N124-L127 PolarHBondContact O-N 3.46Å; N124-Q128 WeakPolarHBondContact O-CG 3.5Å; N124-Q128 PolarHBondContact O-N 2.72Å; N124-Y189 WeakPolarHBondContact OD1-CA 3.23Å; N124-Y190 PolarHBondContact ND2-O 2.6Å; N124-Y190 PolarHBondContact OD1-N 3.39Å |
| 125 | K | 97.5 | Very high | 93.3 | Very high | 101 Ų | 101 | 67 Ų | 67 | 44% | 0.439 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61 | -40.1 | 177 | 179.5 | -176.3 | 174.6 | -171.4 | 0 | 111.7 | F121 E122 M123 Q128 Q129 | F121-K125 WeakPolarHBondContact O-CB 3.34Å; F121-K125 PolarHBondContact O-N 3.23Å; E122-K125 WeakPolarHBondContact O-CB 3.45Å; E122-K125 PolarHBondContact O-N 3.26Å; M123-K125 VanDerWaalsContact C-N 3.35Å; M123-K125 PolarHBondContact O-N 3.47Å; K125-Q128 PolarHBondContact O-N 2.79Å; K125-Q129 WeakPolarHBondContact O-CB 3.38Å; K125-Q129 VanDerWaalsContact O-CG 3.25Å; K125-Q129 WeakPolarHBondContact O-CG 3.31Å; K125-Q129 PolarHBondContact O-N 2.9Å |
| 126 | R | 97.3 | Very high | 93.9 | Very high | 63 Ų | 63 | 66.2 Ų | 66.2 | 24% | 0.238 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -66.4 | -38.3 | 176.4 | -167 | 76.8 | 174.1 | 84.3 | 10.4 | 112.1 | E122 M123 N124 Q129 F142 D145 F146 | E122-R126 WeakPolarHBondContact O-CB 3.4Å; E122-R126 PolarHBondContact O-N 3.45Å; M123-R126 PolarHBondContact O-N 3.44Å; N124-R126 VanDerWaalsContact C-N 3.33Å; N124-R126 PolarHBondContact O-N 2.94Å; R126-Q129 PolarHBondContact O-N 2.85Å; R126-F142 HydrophobicContact CB-CD2 4.37Å; R126-F142 HydrophobicContact CB-CE2 4.45Å; R126-F142 HydrophobicContact CG-CD2 3.91Å; R126-F142 HydrophobicContact CG-CE2 4.48Å; R126-D145 IonicContact NE-OD2 2.76Å; R126-F146 HydrophobicContact CB-CE2 3.83Å; R126-F146 HydrophobicContact CB-CZ 4.09Å; R126-F146 HydrophobicContact CG-CE2 3.99Å |
| 127 | L | 97.6 | Very high | 94.3 | Very high | 2 Ų | 2 | 72.3 Ų | 72.3 | 1% | 0.01 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -67.2 | -38.7 | 174 | -70.9 | 170.2 | 0 | 0 | 0 | 112.4 | M123 N124 Q129 R130 W139 F142 F181 L188 | M123-L127 HydrophobicContact CE-CD1 4.47Å; M123-L127 HydrophobicContact CG-CD1 4.46Å; M123-L127 WeakPolarHBondContact O-CG 3.48Å; M123-L127 PolarHBondContact O-N 2.9Å; N124-L127 PolarHBondContact O-N 3.46Å; L127-Q129 VanDerWaalsContact C-N 3.29Å; L127-Q129 PolarHBondContact O-N 2.87Å; L127-R130 WeakPolarHBondContact O-CB 3.29Å; L127-R130 PolarHBondContact O-N 2.92Å; L127-W139 HydrophobicContact CD2-CZ3 4.29Å; L127-F142 HydrophobicContact CD1-CE2 4.46Å; L127-F142 HydrophobicContact CD1-CZ 4.26Å; L127-F142 HydrophobicContact CD2-CD2 4.4Å; L127-F142 HydrophobicContact CD2-CE1 4.39Å; L127-F142 HydrophobicContact CD2-CE2 3.73Å; L127-F142 HydrophobicContact CD2-CZ 3.72Å; L127-F142 HydrophobicContact CG-CE2 3.76Å; L127-F142 HydrophobicContact CG-CZ 3.95Å; L127-F181 HydrophobicContact CD2-CE2 4.09Å; L127-F181 HydrophobicContact CD2-CZ 4.33Å; L127-L188 HydrophobicContact CD1-CD2 4.15Å; L127-L188 HydrophobicContact CD1-CG 4.28Å |
| 128 | Q | 94.6 | Very high | 94.6 | Very high | 115 Ų | 115 | 71.6 Ų | 71.6 | 54% | 0.537 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -68.4 | -26 | 173.8 | -71.5 | 169.6 | -4 | 0 | 0 | 113 | N124 K125 R130 | N124-Q128 WeakPolarHBondContact O-CG 3.5Å; N124-Q128 PolarHBondContact O-N 2.72Å; K125-Q128 PolarHBondContact O-N 2.79Å; Q128-R130 VanDerWaalsContact C-N 3.3Å |
| 129 | Q | 93.1 | Very high | 94.8 | Very high | 124 Ų | 124 | 67.8 Ų | 67.8 | 58% | 0.579 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | 11.6 | 176.5 | -70.5 | 177 | -17.8 | 0 | 0 | 113.7 | K125 R126 L127 | K125-Q129 WeakPolarHBondContact O-CB 3.38Å; K125-Q129 VanDerWaalsContact O-CG 3.25Å; K125-Q129 WeakPolarHBondContact O-CG 3.31Å; K125-Q129 PolarHBondContact O-N 2.9Å; R126-Q129 PolarHBondContact O-N 2.85Å; L127-Q129 VanDerWaalsContact C-N 3.29Å; L127-Q129 PolarHBondContact O-N 2.87Å |
| 130 | R | 93.4 | Very high | 94.9 | Very high | 30 Ų | 30 | 69.4 Ų | 69.4 | 11% | 0.113 | 35% | 0.348 | C | S | . | . | trans | -76.7 | 127.5 | 177.5 | -174.4 | -154.9 | 62.8 | 92.1 | 2.2 | 110.7 | L127 Q128 D132 C134 W138 W139 F181 | L127-R130 WeakPolarHBondContact O-CB 3.29Å; L127-R130 PolarHBondContact O-N 2.92Å; Q128-R130 VanDerWaalsContact C-N 3.3Å; R130-D132 IonicContact CZ-OD1 2.69Å; R130-D132 IonicContact NH1-OD1 3.7Å; R130-D132 PolarHBondContact NH1-OD1 2.86Å; R130-D132 IonicContact NH2-OD1 3.47Å; R130-D132 PolarHBondContact NH2-OD1 3.31Å; R130-C134 HydrophobicContact CG-CB 3.97Å; R130-C134 WeakPolarHBondContact CG-SG 3.4Å; R130-W138 HydrophobicContact CB-CH2 3.7Å; R130-W138 HydrophobicContact CB-CZ2 3.73Å; R130-W138 HydrophobicContact CG-CH2 3.69Å; R130-W138 HydrophobicContact CG-CZ2 3.86Å; R130-W138 HydrophobicContact CG-CZ3 4.06Å; R130-W139 HydrophobicContact CG-CZ2 4.46Å; R130-F181 VanDerWaalsContact NE-CE1 3.3Å | ||
| 131 | S | 90.5 | Very high | 95 | Very high | 68 Ų | 68 | 71.6 Ų | 71.6 | 48% | 0.476 | 36% | 0.364 | S | S | . | . | trans | -77.8 | 155.8 | 166.6 | 52.7 | 0 | 0 | 0 | 0 | 111.4 | D133 C134 | S131-D133 VanDerWaalsContact C-N 3.28Å; S131-D133 PolarHBondContact O-N 3.08Å; S131-C134 PolarHBondContact N-SG 2.84Å; S131-C134 WeakPolarHBondContact O-CB 3.4Å; S131-C134 PolarHBondContact O-N 3.33Å; S131-C134 PolarHBondContact O-SG 2.92Å; S131-C134 PolarHBondContact OG-SG 2.83Å | ||
| 132 | D | 87.4 | Confident | 95.2 | Very high | 130 Ų | 130 | 65.2 Ų | 65.2 | 70% | 0.695 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -34.1 | 179.2 | -80.1 | -49.6 | 0 | 0 | 0 | 113.7 | R130 C134 | R130-D132 IonicContact CZ-OD1 2.69Å; R130-D132 IonicContact NH1-OD1 3.7Å; R130-D132 PolarHBondContact NH1-OD1 2.86Å; R130-D132 IonicContact NH2-OD1 3.47Å; R130-D132 PolarHBondContact NH2-OD1 3.31Å; D132-C134 PolarHBondContact O-N 2.72Å |
| 133 | D | 89.3 | Confident | 95.2 | Very high | 155 Ų | 155 | 61 Ų | 61 | 83% | 0.829 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | 22.8 | 178.2 | -49.6 | -74.6 | 0 | 0 | 0 | 114.6 | S131 D135 | S131-D133 VanDerWaalsContact C-N 3.28Å; S131-D133 PolarHBondContact O-N 3.08Å; D133-D135 PolarHBondContact O-N 2.87Å |
| 134 | C | 91.2 | Very high | 95.2 | Very high | 13 Ų | 13 | 64 Ų | 64 | 9% | 0.088 | 33% | 0.334 | C | S | . | . | trans | -61.9 | 117.1 | 179.3 | -84.6 | 0 | 0 | 0 | 0 | 112.8 | R130 S131 D132 W138 W139 | R130-C134 HydrophobicContact CG-CB 3.97Å; R130-C134 WeakPolarHBondContact CG-SG 3.4Å; S131-C134 PolarHBondContact N-SG 2.84Å; S131-C134 WeakPolarHBondContact O-CB 3.4Å; S131-C134 PolarHBondContact O-N 3.33Å; S131-C134 PolarHBondContact O-SG 2.92Å; S131-C134 PolarHBondContact OG-SG 2.83Å; D132-C134 PolarHBondContact O-N 2.72Å; C134-W138 HydrophobicContact CB-CB 4.28Å; C134-W138 HydrophobicContact CB-CD2 3.99Å; C134-W138 HydrophobicContact CB-CE3 4.2Å; C134-W138 HydrophobicContact CB-CG 4.03Å; C134-W138 VanDerWaalsContact SG-CD1 3.53Å; C134-W138 VanDerWaalsContact SG-CD2 3.5Å; C134-W138 VanDerWaalsContact SG-CG 3.6Å; C134-W138 PolarHBondContact SG-NE1 2.85Å; C134-W138 VanDerWaalsContact SG-NE1 3.39Å; C134-W139 PolarHBondContact O-NE1 2.97Å | ||
| 135 | D | 94.1 | Very high | 95.2 | Very high | 87 Ų | 87 | 66.1 Ų | 66.1 | 47% | 0.465 | 35% | 0.346 | S | S | . | . | trans | -78.8 | 177.8 | -175.1 | 94.8 | -57.3 | 0 | 0 | 0 | 113.5 | D133 L137 W138 W139 | D133-D135 PolarHBondContact O-N 2.87Å; D135-L137 VanDerWaalsContact C-N 3.3Å; D135-L137 VanDerWaalsContact CG-N 3.28Å; D135-L137 PolarHBondContact O-N 2.87Å; D135-L137 PolarHBondContact OD1-N 2.97Å; D135-L137 VanDerWaalsContact OD2-CB 3.26Å; D135-L137 WeakPolarHBondContact OD2-CB 3.32Å; D135-L137 PolarHBondContact OD2-N 3.24Å; D135-W138 PolarHBondContact O-N 3.24Å; D135-W138 PolarHBondContact OD1-N 2.86Å; D135-W139 PolarHBondContact O-N 2.85Å | ||
| 136 | S | 94.9 | Very high | 95.2 | Very high | 76 Ų | 76 | 61.9 Ų | 61.9 | 53% | 0.531 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.8 | -32.4 | 178.2 | -59.1 | 0 | 0 | 0 | 0 | 113.6 | W139 E140 R178 | S136-W139 PolarHBondContact O-N 2.93Å; S136-E140 PolarHBondContact O-N 2.92Å; S136-E140 VanDerWaalsContact O-N 3.12Å; S136-R178 PolarHBondContact OG-NH1 3.23Å |
| 137 | L | 96.4 | Very high | 95.3 | Very high | 128 Ų | 128 | 58.9 Ų | 58.9 | 67% | 0.67 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -69.8 | -39.1 | 177.8 | -176.5 | 61.6 | 0 | 0 | 0 | 111.7 | D135 W139 E140 S141 | D135-L137 VanDerWaalsContact C-N 3.3Å; D135-L137 VanDerWaalsContact CG-N 3.28Å; D135-L137 PolarHBondContact O-N 2.87Å; D135-L137 PolarHBondContact OD1-N 2.97Å; D135-L137 VanDerWaalsContact OD2-CB 3.26Å; D135-L137 WeakPolarHBondContact OD2-CB 3.32Å; D135-L137 PolarHBondContact OD2-N 3.24Å; L137-W139 VanDerWaalsContact C-N 3.3Å; L137-W139 PolarHBondContact O-N 3.28Å; L137-E140 PolarHBondContact O-N 2.87Å; L137-S141 WeakPolarHBondContact O-CB 3.45Å; L137-S141 PolarHBondContact O-N 3.48Å |
| 138 | W | 97.7 | Very high | 95.3 | Very high | 39 Ų | 39 | 60 Ų | 60 | 15% | 0.148 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -57.2 | -43.7 | 172.3 | -170.1 | 107.1 | 0 | 0 | 0 | 111.7 | R130 C134 D135 S141 F142 | R130-W138 HydrophobicContact CB-CH2 3.7Å; R130-W138 HydrophobicContact CB-CZ2 3.73Å; R130-W138 HydrophobicContact CG-CH2 3.69Å; R130-W138 HydrophobicContact CG-CZ2 3.86Å; R130-W138 HydrophobicContact CG-CZ3 4.06Å; C134-W138 HydrophobicContact CB-CB 4.28Å; C134-W138 HydrophobicContact CB-CD2 3.99Å; C134-W138 HydrophobicContact CB-CE3 4.2Å; C134-W138 HydrophobicContact CB-CG 4.03Å; C134-W138 VanDerWaalsContact SG-CD1 3.53Å; C134-W138 VanDerWaalsContact SG-CD2 3.5Å; C134-W138 VanDerWaalsContact SG-CG 3.6Å; C134-W138 PolarHBondContact SG-NE1 2.85Å; C134-W138 VanDerWaalsContact SG-NE1 3.39Å; D135-W138 PolarHBondContact O-N 3.24Å; D135-W138 PolarHBondContact OD1-N 2.86Å; W138-S141 PolarHBondContact O-N 2.7Å; W138-F142 HydrophobicContact CE3-CB 4.2Å; W138-F142 HydrophobicContact CH2-CD2 4.43Å; W138-F142 HydrophobicContact CZ3-CB 3.94Å; W138-F142 HydrophobicContact CZ3-CD2 4.43Å; W138-F142 HydrophobicContact CZ3-CG 4.21Å; W138-F142 WeakPolarHBondContact O-CB 3.37Å; W138-F142 PolarHBondContact O-N 2.95Å |
| 139 | W | 97.8 | Very high | 95.5 | Very high | 8 Ų | 8 | 60 Ų | 60 | 3% | 0.03 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -68.7 | -35.2 | 179 | -73.2 | 109.3 | 0 | 0 | 0 | 113.5 | L127 R130 C134 D135 S136 L137 F142 A143 P174 F177 R178 F181 | L127-W139 HydrophobicContact CD2-CZ3 4.29Å; R130-W139 HydrophobicContact CG-CZ2 4.46Å; C134-W139 PolarHBondContact O-NE1 2.97Å; D135-W139 PolarHBondContact O-N 2.85Å; S136-W139 PolarHBondContact O-N 2.93Å; L137-W139 VanDerWaalsContact C-N 3.3Å; L137-W139 PolarHBondContact O-N 3.28Å; W139-F142 HydrophobicContact CE3-CD1 4.37Å; W139-A143 PolarHBondContact O-N 3.35Å; W139-A143 VanDerWaalsContact O-N 3.13Å; W139-P174 HydrophobicContact CB-CB 4.03Å; W139-F177 HydrophobicContact CE3-CB 4.09Å; W139-F177 HydrophobicContact CH2-CB 4.29Å; W139-F177 HydrophobicContact CZ3-CB 3.53Å; W139-R178 HydrophobicContact CD2-CB 3.9Å; W139-R178 HydrophobicContact CE3-CB 4.43Å; W139-R178 HydrophobicContact CG-CB 4.2Å; W139-R178 HydrophobicContact CZ2-CB 4.13Å; W139-R178 HydrophobicContact CZ2-CG 4.49Å; W139-F181 AromaticContact CH2-CD2 3.5Å; W139-F181 HydrophobicContact CH2-CD2 3.5Å; W139-F181 VanDerWaalsContact CH2-CD2 3.5Å; W139-F181 AromaticContact CH2-CE2 3.72Å; W139-F181 HydrophobicContact CH2-CE2 3.72Å; W139-F181 HydrophobicContact CH2-CG 4.39Å; W139-F181 HydrophobicContact CZ2-CD2 4.01Å |
| 140 | E | 97.8 | Very high | 95.7 | Very high | 73 Ų | 73 | 58.3 Ų | 58.3 | 34% | 0.341 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -70.6 | -38.8 | 172 | -71.3 | -65.1 | 172.1 | 0 | 0 | 112.1 | S136 L137 A143 T144 R170 P174 | S136-E140 PolarHBondContact O-N 2.92Å; S136-E140 VanDerWaalsContact O-N 3.12Å; L137-E140 PolarHBondContact O-N 2.87Å; E140-A143 PolarHBondContact O-N 2.81Å; E140-T144 PolarHBondContact O-N 3.27Å; E140-T144 PolarHBondContact O-OG1 3.27Å; E140-T144 VanDerWaalsContact O-OG1 3.11Å; E140-R170 PolarHBondContact O-NH2 3.08Å; E140-R170 IonicContact OE2-CZ 3.29Å; E140-R170 IonicContact OE2-NH1 3.15Å; E140-R170 PolarHBondContact OE2-NH1 3.48Å; E140-R170 IonicContact OE2-NH2 3.7Å; E140-R170 PolarHBondContact OE2-NH2 2.86Å; E140-P174 VanDerWaalsContact CD-CG 3.46Å; E140-P174 HydrophobicContact CG-CG 4.44Å; E140-P174 WeakPolarHBondContact OE1-CG 3.35Å; E140-P174 VanDerWaalsContact OE2-CG 3.26Å; E140-P174 WeakPolarHBondContact OE2-CG 3.46Å |
| 141 | S | 97.7 | Very high | 95.9 | Very high | 50 Ų | 50 | 56.9 Ų | 56.9 | 35% | 0.35 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59.3 | -51.5 | 173.2 | -172.5 | 0 | 0 | 0 | 0 | 110.7 | L137 W138 A143 T144 D145 | L137-S141 WeakPolarHBondContact O-CB 3.45Å; L137-S141 PolarHBondContact O-N 3.48Å; W138-S141 PolarHBondContact O-N 2.7Å; S141-A143 PolarHBondContact O-N 3.2Å; S141-T144 PolarHBondContact O-N 2.76Å; S141-D145 PolarHBondContact O-N 3.35Å |
| 142 | F | 98.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -53 | -42.9 | 175.4 | 168.6 | -92.8 | 0 | 0 | 0 | 112.1 | M123 R126 L127 W138 W139 D145 F146 F147 F177 | M123-F142 HydrophobicContact CG-CE2 3.72Å; M123-F142 HydrophobicContact CG-CZ 3.63Å; M123-F142 HydrophobicContact SD-CZ 4.26Å; R126-F142 HydrophobicContact CB-CD2 4.37Å; R126-F142 HydrophobicContact CB-CE2 4.45Å; R126-F142 HydrophobicContact CG-CD2 3.91Å; R126-F142 HydrophobicContact CG-CE2 4.48Å; L127-F142 HydrophobicContact CD1-CE2 4.46Å; L127-F142 HydrophobicContact CD1-CZ 4.26Å; L127-F142 HydrophobicContact CD2-CD2 4.4Å; L127-F142 HydrophobicContact CD2-CE1 4.39Å; L127-F142 HydrophobicContact CD2-CE2 3.73Å; L127-F142 HydrophobicContact CD2-CZ 3.72Å; L127-F142 HydrophobicContact CG-CE2 3.76Å; L127-F142 HydrophobicContact CG-CZ 3.95Å; W138-F142 HydrophobicContact CE3-CB 4.2Å; W138-F142 HydrophobicContact CH2-CD2 4.43Å; W138-F142 HydrophobicContact CZ3-CB 3.94Å; W138-F142 HydrophobicContact CZ3-CD2 4.43Å; W138-F142 HydrophobicContact CZ3-CG 4.21Å; W138-F142 WeakPolarHBondContact O-CB 3.37Å; W138-F142 PolarHBondContact O-N 2.95Å; W139-F142 HydrophobicContact CE3-CD1 4.37Å; F142-D145 PolarHBondContact O-N 3.04Å; F142-F146 AromaticContact CD2-CD2 3.85Å; F142-F146 HydrophobicContact CD2-CD2 3.85Å; F142-F146 AromaticContact CD2-CE2 3.94Å; F142-F146 HydrophobicContact CD2-CE2 3.94Å; F142-F146 AromaticContact CE2-CD2 3.7Å; F142-F146 HydrophobicContact CE2-CD2 3.7Å; F142-F146 AromaticContact CE2-CE2 3.88Å; F142-F146 HydrophobicContact CE2-CE2 3.88Å; F142-F146 HydrophobicContact CZ-CD2 4.26Å; F142-F146 WeakPolarHBondContact O-CD2 3.45Å; F142-F146 PolarHBondContact O-N 3.39Å; F142-F147 HydrophobicContact CE1-CE2 4.45Å; F142-F177 HydrophobicContact CD1-CD2 4.5Å; F142-F177 AromaticContact CE1-CD2 3.66Å; F142-F177 HydrophobicContact CE1-CD2 3.66Å; F142-F177 AromaticContact CE1-CE2 3.9Å; F142-F177 HydrophobicContact CE1-CE2 3.9Å; F142-F177 HydrophobicContact CE1-CG 4.02Å; F142-F177 HydrophobicContact CE1-CZ 4.46Å |
| 143 | A | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -70.9 | -31.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | W139 E140 S141 F147 P174 | W139-A143 PolarHBondContact O-N 3.35Å; W139-A143 VanDerWaalsContact O-N 3.13Å; E140-A143 PolarHBondContact O-N 2.81Å; S141-A143 PolarHBondContact O-N 3.2Å; A143-F147 WeakPolarHBondContact O-CA 3.43Å; A143-F147 VanDerWaalsContact O-CB 3.29Å; A143-F147 WeakPolarHBondContact O-CB 3.44Å; A143-F147 PolarHBondContact O-N 3.24Å; A143-P174 HydrophobicContact CB-CG 3.66Å |
| 144 | T | 97.6 | Very high | 97.2 | Very high | 63 Ų | 63 | 43.6 Ų | 43.6 | 39% | 0.387 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -72.2 | -34.6 | 173.2 | -60.9 | 0 | 0 | 0 | 0 | 112.6 | E140 S141 F146 R170 R242 | E140-T144 PolarHBondContact O-N 3.27Å; E140-T144 PolarHBondContact O-OG1 3.27Å; E140-T144 VanDerWaalsContact O-OG1 3.11Å; S141-T144 PolarHBondContact O-N 2.76Å; T144-F146 VanDerWaalsContact C-N 3.26Å; T144-F146 PolarHBondContact O-N 3.28Å; T144-R170 PolarHBondContact OG1-NH2 2.85Å; T144-R242 VanDerWaalsContact O-CD 3.32Å; T144-R242 WeakPolarHBondContact O-CD 3.33Å |
| 145 | D | 97.3 | Very high | 97.5 | Very high | 63 Ų | 63 | 43 Ų | 43 | 34% | 0.337 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -64.5 | -29.4 | 179 | -62.3 | -19.8 | 0 | 0 | 0 | 112.2 | R119 R126 S141 F142 | R119-D145 PolarHBondContact NH2-O 3.47Å; R126-D145 IonicContact NE-OD2 2.76Å; S141-D145 PolarHBondContact O-N 3.35Å; F142-D145 PolarHBondContact O-N 3.04Å |
| 146 | F | 97.9 | Very high | 97.7 | Very high | 12 Ų | 12 | 39.7 Ų | 39.7 | 5% | 0.053 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -126.4 | -15.3 | -171.2 | -62.9 | -68 | 0 | 0 | 0 | 116.4 | E122 M123 R126 F142 T144 I243 | E122-F146 HydrophobicContact CB-CE1 3.83Å; E122-F146 HydrophobicContact CB-CZ 4.17Å; M123-F146 VanDerWaalsContact CA-CZ 3.43Å; M123-F146 HydrophobicContact CB-CD1 3.81Å; M123-F146 HydrophobicContact CB-CD2 4.16Å; M123-F146 HydrophobicContact CB-CE1 3.79Å; M123-F146 HydrophobicContact CB-CE2 4.16Å; M123-F146 HydrophobicContact CB-CG 4.02Å; M123-F146 HydrophobicContact CB-CZ 3.99Å; M123-F146 HydrophobicContact CG-CD1 4.33Å; M123-F146 HydrophobicContact CG-CD2 3.97Å; M123-F146 HydrophobicContact CG-CE2 4.28Å; M123-F146 HydrophobicContact CG-CG 4.02Å; R126-F146 HydrophobicContact CB-CE2 3.83Å; R126-F146 HydrophobicContact CB-CZ 4.09Å; R126-F146 HydrophobicContact CG-CE2 3.99Å; F142-F146 AromaticContact CD2-CD2 3.85Å; F142-F146 HydrophobicContact CD2-CD2 3.85Å; F142-F146 AromaticContact CD2-CE2 3.94Å; F142-F146 HydrophobicContact CD2-CE2 3.94Å; F142-F146 AromaticContact CE2-CD2 3.7Å; F142-F146 HydrophobicContact CE2-CD2 3.7Å; F142-F146 AromaticContact CE2-CE2 3.88Å; F142-F146 HydrophobicContact CE2-CE2 3.88Å; F142-F146 HydrophobicContact CZ-CD2 4.26Å; F142-F146 WeakPolarHBondContact O-CD2 3.45Å; F142-F146 PolarHBondContact O-N 3.39Å; T144-F146 VanDerWaalsContact C-N 3.26Å; T144-F146 PolarHBondContact O-N 3.28Å; F146-I243 WeakPolarHBondContact O-CB 3.36Å; F146-I243 WeakPolarHBondContact O-CG1 3.48Å; F146-I243 PolarHBondContact O-N 2.92Å |
| 147 | F | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 146.4 | -177.4 | -63.2 | -98.4 | 0 | 0 | 0 | 112.7 | F142 A143 A151 I173 F177 I243 W246 | F142-F147 HydrophobicContact CE1-CE2 4.45Å; A143-F147 WeakPolarHBondContact O-CA 3.43Å; A143-F147 VanDerWaalsContact O-CB 3.29Å; A143-F147 WeakPolarHBondContact O-CB 3.44Å; A143-F147 PolarHBondContact O-N 3.24Å; F147-A151 HydrophobicContact CB-CB 3.96Å; F147-A151 HydrophobicContact CD1-CB 4.26Å; F147-I173 HydrophobicContact CD1-CD1 3.75Å; F147-I173 HydrophobicContact CD1-CG2 4.3Å; F147-I173 HydrophobicContact CD2-CG2 4.04Å; F147-I173 HydrophobicContact CE1-CD1 4.15Å; F147-I173 HydrophobicContact CE1-CG2 4.17Å; F147-I173 HydrophobicContact CE2-CG2 3.92Å; F147-I173 HydrophobicContact CG-CD1 4.23Å; F147-I173 HydrophobicContact CG-CG2 4.24Å; F147-I173 HydrophobicContact CZ-CG2 3.99Å; F147-F177 AromaticContact CE2-CE2 3.8Å; F147-F177 HydrophobicContact CE2-CE2 3.8Å; F147-F177 HydrophobicContact CE2-CZ 4.3Å; F147-F177 AromaticContact CZ-CE2 3.73Å; F147-F177 HydrophobicContact CZ-CE2 3.73Å; F147-F177 AromaticContact CZ-CZ 3.96Å; F147-F177 HydrophobicContact CZ-CZ 3.96Å; F147-I243 VanDerWaalsContact CA-O 3.29Å; F147-I243 WeakPolarHBondContact CA-O 3.44Å; F147-I243 HydrophobicContact CD1-CB 3.82Å; F147-I243 HydrophobicContact CD1-CG2 3.98Å; F147-I243 HydrophobicContact CE1-CB 4.01Å; F147-I243 HydrophobicContact CE1-CD1 4.29Å; F147-I243 HydrophobicContact CE1-CG2 3.89Å; F147-I243 HydrophobicContact CG-CB 4.41Å; F147-I243 HydrophobicContact CZ-CD1 4.27Å; F147-W246 HydrophobicContact CE1-CB 4.25Å; F147-W246 AromaticContact CE1-CE3 3.96Å; F147-W246 HydrophobicContact CE1-CE3 3.96Å; F147-W246 AromaticContact CZ-CE3 3.84Å; F147-W246 HydrophobicContact CZ-CE3 3.84Å; F147-W246 HydrophobicContact CZ-CZ3 4.31Å |
| 148 | E | 97.9 | Very high | 97.4 | Very high | 27 Ų | 27 | 36.2 Ų | 36.2 | 13% | 0.126 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 159 | 172.8 | -86.1 | -55 | 131 | 0 | 0 | 113.3 | D150 A151 R170 A236 R242 I243 R244 | E148-D150 VanDerWaalsContact C-N 3.26Å; E148-D150 PolarHBondContact O-N 2.95Å; E148-A151 HydrophobicContact CB-CB 4.11Å; E148-A151 WeakPolarHBondContact O-CB 3.22Å; E148-A151 PolarHBondContact O-N 3.22Å; E148-A151 VanDerWaalsContact O-N 3.09Å; E148-R170 WeakPolarHBondContact O-CD 3.37Å; E148-R170 WeakPolarHBondContact O-CG 3.17Å; E148-A236 HydrophobicContact CG-CB 4.1Å; E148-R242 HydrophobicContact CG-CB 4.13Å; E148-R242 IonicContact OE1-CZ 3.42Å; E148-R242 IonicContact OE1-NE 2.85Å; E148-R242 PolarHBondContact OE1-NE 3.28Å; E148-R242 IonicContact OE1-NH2 2.78Å; E148-R242 PolarHBondContact OE1-NH2 3.26Å; E148-R242 IonicContact OE2-CZ 3.75Å; E148-R242 IonicContact OE2-NH2 3.23Å; E148-R242 PolarHBondContact OE2-NH2 3.11Å; E148-I243 PolarHBondContact N-O 3.13Å; E148-R244 HydrophobicContact CB-CB 4.25Å; E148-R244 HydrophobicContact CB-CG 4.32Å; E148-R244 HydrophobicContact CG-CB 4.14Å; E148-R244 HydrophobicContact CG-CG 4.44Å |
| 149 | D | 97.5 | Very high | 97 | Very high | 115 Ų | 115 | 34.8 Ų | 34.8 | 62% | 0.615 | 19% | 0.192 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -68.9 | -25.6 | 179.3 | -70.8 | -50.3 | 0 | 0 | 0 | 112.7 | R242 | D149-R242 IonicContact OD2-NH2 2.6Å |
| 150 | D | 97.3 | Very high | 96.6 | Very high | 87 Ų | 87 | 43.6 Ų | 43.6 | 47% | 0.465 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 9.3 | 171.9 | 81.6 | -25.9 | 0 | 0 | 0 | 113.9 | E148 R244 | E148-D150 VanDerWaalsContact C-N 3.26Å; E148-D150 PolarHBondContact O-N 2.95Å; D150-R244 WeakPolarHBondContact OD1-CG 3.29Å; D150-R244 IonicContact OD1-NE 2.72Å; D150-R244 PolarHBondContact OD1-NE 3.44Å; D150-R244 IonicContact OD2-CZ 3.24Å; D150-R244 VanDerWaalsContact OD2-CZ 3.26Å; D150-R244 IonicContact OD2-NE 2.65Å; D150-R244 PolarHBondContact OD2-NE 3.33Å; D150-R244 IonicContact OD2-NH2 2.82Å; D150-R244 PolarHBondContact OD2-NH2 3.49Å |
| 151 | A | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 148.4 | -169.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | F147 E148 G169 R170 I173 I243 R244 | F147-A151 HydrophobicContact CB-CB 3.96Å; F147-A151 HydrophobicContact CD1-CB 4.26Å; E148-A151 HydrophobicContact CB-CB 4.11Å; E148-A151 WeakPolarHBondContact O-CB 3.22Å; E148-A151 PolarHBondContact O-N 3.22Å; E148-A151 VanDerWaalsContact O-N 3.09Å; A151-G169 CarbonylContact O-C 3.49Å; A151-G169 WeakPolarHBondContact O-CA 3.46Å; A151-R170 HydrophobicContact CB-CB 4.4Å; A151-R170 PolarHBondContact O-N 3.34Å; A151-I173 HydrophobicContact CB-CD1 4.19Å; A151-I243 VanDerWaalsContact CB-O 3.31Å; A151-I243 WeakPolarHBondContact CB-O 3.39Å; A151-R244 VanDerWaalsContact CA-O 3.26Å; A151-R244 WeakPolarHBondContact CA-O 3.47Å |
| 152 | T | 98.2 | Very high | 95.9 | Very high | 56 Ų | 56 | 45.5 Ų | 45.5 | 34% | 0.344 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 143.1 | 176 | 56.9 | 0 | 0 | 0 | 0 | 111.6 | I168 R244 W246 | T152-I168 WeakPolarHBondContact CA-O 3.38Å; T152-R244 PolarHBondContact N-O 3.42Å; T152-W246 PolarHBondContact O-N 2.83Å |
| 153 | L | 98.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 119.3 | 175.2 | -175.1 | 153.1 | 0 | 0 | 0 | 109.5 | T167 I168 I173 Y176 F177 W246 F290 | L153-T167 CarbonylContact O-C 3.6Å; L153-T167 WeakPolarHBondContact O-CA 3.39Å; L153-I168 HydrophobicContact CB-CG1 3.95Å; L153-I168 HydrophobicContact CD2-CD1 4.21Å; L153-I168 HydrophobicContact CD2-CG1 4.19Å; L153-I168 PolarHBondContact N-O 2.9Å; L153-I168 PolarHBondContact O-N 3.07Å; L153-I173 HydrophobicContact CB-CD1 3.89Å; L153-I173 HydrophobicContact CB-CG1 3.89Å; L153-I173 HydrophobicContact CD1-CG1 4.4Å; L153-I173 HydrophobicContact CD1-CG2 4.22Å; L153-Y176 HydrophobicContact CD1-CD1 3.58Å; L153-Y176 HydrophobicContact CD1-CE1 3.76Å; L153-Y176 HydrophobicContact CD1-CG 4.42Å; L153-Y176 HydrophobicContact CD2-CD1 4.09Å; L153-Y176 HydrophobicContact CD2-CE1 4.16Å; L153-Y176 HydrophobicContact CD2-CG 4.29Å; L153-F177 HydrophobicContact CD1-CE2 4.22Å; L153-F177 HydrophobicContact CD1-CZ 4.37Å; L153-W246 CarbonylContact C-O 3.57Å; L153-W246 WeakPolarHBondContact CA-O 3.46Å; L153-W246 HydrophobicContact CB-CB 4.32Å; L153-W246 HydrophobicContact CD1-CB 4.47Å; L153-W246 HydrophobicContact CD1-CD2 4.42Å; L153-W246 HydrophobicContact CD1-CG 4.07Å; L153-W246 HydrophobicContact CG-CB 4.15Å; L153-W246 HydrophobicContact CG-CG 3.95Å; L153-F290 HydrophobicContact CD2-CZ 4.31Å |
| 154 | T | 98.2 | Very high | 95.4 | Very high | 19 Ų | 19 | 53.3 Ų | 53.3 | 12% | 0.117 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 127.2 | 178.2 | -63.1 | 0 | 0 | 0 | 0 | 110.2 | S165 Y166 T167 W246 I247 F248 | T154-S165 VanDerWaalsContact CG2-OG 3.29Å; T154-S165 WeakPolarHBondContact CG2-OG 3.41Å; T154-Y166 WeakPolarHBondContact CA-O 3.48Å; T154-T167 WeakPolarHBondContact OG1-CG2 3.26Å; T154-T167 PolarHBondContact OG1-OG1 3.23Å; T154-W246 PolarHBondContact N-O 2.82Å; T154-I247 HydrophobicContact CG2-CG2 4.41Å; T154-F248 PolarHBondContact O-N 2.74Å |
| 155 | L | 97.8 | Very high | 95.2 | Very high | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 119.8 | 169.7 | -171.3 | 71.3 | 0 | 0 | 0 | 109.9 | F157 S165 Y166 F248 I250 M282 F290 | L155-F157 HydrophobicContact CD2-CE1 4.33Å; L155-F157 HydrophobicContact CG-CD1 4.37Å; L155-S165 WeakPolarHBondContact O-CA 3.34Å; L155-Y166 PolarHBondContact N-O 2.87Å; L155-Y166 PolarHBondContact O-N 3.43Å; L155-F248 HydrophobicContact CD1-CB 3.97Å; L155-F248 HydrophobicContact CD1-CD1 3.61Å; L155-F248 HydrophobicContact CD1-CG 4.21Å; L155-I250 HydrophobicContact CD1-CD1 3.95Å; L155-I250 HydrophobicContact CD1-CG1 4.22Å; L155-I250 HydrophobicContact CG-CD1 4.45Å; L155-M282 HydrophobicContact CD2-CE 4.08Å; L155-M282 HydrophobicContact CD2-CG 3.76Å; L155-M282 HydrophobicContact CD2-SD 3.91Å; L155-F290 HydrophobicContact CB-CE1 4.49Å; L155-F290 HydrophobicContact CB-CE2 4.19Å; L155-F290 HydrophobicContact CB-CZ 3.82Å; L155-F290 HydrophobicContact CD2-CD2 4.25Å; L155-F290 HydrophobicContact CD2-CE2 3.42Å; L155-F290 VanDerWaalsContact CD2-CE2 3.42Å; L155-F290 HydrophobicContact CD2-CZ 3.9Å; L155-F290 HydrophobicContact CG-CE2 4.45Å |
| 156 | A | 97.2 | Very high | 95.2 | Very high | 16 Ų | 16 | 51.5 Ų | 51.5 | 13% | 0.132 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 141.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | K164 F248 L249 I250 | A156-K164 WeakPolarHBondContact CA-O 3.25Å; A156-F248 PolarHBondContact N-O 2.87Å; A156-L249 HydrophobicContact CB-CD1 3.75Å; A156-L249 WeakPolarHBondContact O-CA 3.48Å; A156-I250 PolarHBondContact O-N 3.21Å |
| 157 | F | 95.4 | Very high | 95.1 | Very high | 7 Ų | 7 | 54.7 Ų | 54.7 | 3% | 0.031 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 151.7 | 177.4 | 49.5 | -93 | 0 | 0 | 0 | 111.7 | L155 T159 K164 Y166 I250 Y280 L287 | L155-F157 HydrophobicContact CD2-CE1 4.33Å; L155-F157 HydrophobicContact CG-CD1 4.37Å; F157-T159 HydrophobicContact CD2-CG2 3.51Å; F157-T159 HydrophobicContact CE2-CG2 3.54Å; F157-K164 HydrophobicContact CE2-CB 4.36Å; F157-K164 PolarHBondContact N-O 3.41Å; F157-K164 PolarHBondContact O-N 2.93Å; F157-K164 VanDerWaalsContact O-O 3.13Å; F157-Y166 AromaticContact CE1-CD2 3.88Å; F157-Y166 HydrophobicContact CE1-CD2 3.88Å; F157-Y166 AromaticContact CE1-CE2 3.9Å; F157-Y166 HydrophobicContact CE1-CE2 3.9Å; F157-Y166 HydrophobicContact CE2-CE2 4.39Å; F157-Y166 HydrophobicContact CZ-CD2 4.01Å; F157-Y166 AromaticContact CZ-CE2 3.52Å; F157-Y166 HydrophobicContact CZ-CE2 3.52Å; F157-I250 HydrophobicContact CB-CB 4.13Å; F157-Y280 HydrophobicContact CD2-CD1 4.08Å; F157-Y280 AromaticContact CD2-CD2 3.72Å; F157-Y280 HydrophobicContact CD2-CD2 3.72Å; F157-Y280 HydrophobicContact CD2-CE2 4.43Å; F157-Y280 AromaticContact CD2-CG 3.51Å; F157-Y280 HydrophobicContact CD2-CG 3.51Å; F157-Y280 AromaticContact CE2-CD2 3.44Å; F157-Y280 HydrophobicContact CE2-CD2 3.44Å; F157-Y280 VanDerWaalsContact CE2-CD2 3.44Å; F157-Y280 HydrophobicContact CE2-CE2 4.04Å; F157-Y280 AromaticContact CE2-CG 3.77Å; F157-Y280 HydrophobicContact CE2-CG 3.77Å; F157-Y280 HydrophobicContact CG-CG 4.3Å; F157-Y280 HydrophobicContact CZ-CD2 4.3Å; F157-L287 HydrophobicContact CE1-CD2 4.08Å; F157-L287 HydrophobicContact CZ-CD2 3.65Å |
| 158 | L | 90.8 | Very high | 95 | Very high | 125 Ų | 125 | 55 Ų | 55 | 65% | 0.654 | 30% | 0.301 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 136 | 173.8 | -173 | 62.6 | 0 | 0 | 0 | 110.4 | P163 Y280 | L158-P163 HydrophobicContact CD1-CB 4.37Å; L158-Y280 VanDerWaalsContact O-CD1 3.3Å; L158-Y280 WeakPolarHBondContact O-CD1 3.18Å; L158-Y280 WeakPolarHBondContact O-CE1 3.26Å |
| 159 | T | 88.6 | Confident | 95 | Very high | 9 Ų | 9 | 55.2 Ų | 55.2 | 6% | 0.055 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 168.3 | 173.2 | 65.4 | 0 | 0 | 0 | 0 | 110.5 | F157 E161 G162 K164 Y280 | F157-T159 HydrophobicContact CD2-CG2 3.51Å; F157-T159 HydrophobicContact CE2-CG2 3.54Å; T159-E161 WeakPolarHBondContact CB-OE2 3.44Å; T159-E161 PolarHBondContact O-N 3.43Å; T159-E161 PolarHBondContact OG1-OE2 2.91Å; T159-G162 WeakPolarHBondContact CA-O 3.46Å; T159-G162 PolarHBondContact N-O 2.91Å; T159-G162 PolarHBondContact O-N 3.18Å; T159-G162 PolarHBondContact OG1-O 2.8Å; T159-K164 HydrophobicContact CG2-CB 4.31Å; T159-K164 HydrophobicContact CG2-CD 3.93Å; T159-K164 HydrophobicContact CG2-CG 4.03Å; T159-K164 PolarHBondContact OG1-NZ 2.92Å; T159-Y280 WeakPolarHBondContact CB-OH 3.49Å; T159-Y280 HydrophobicContact CG2-CD1 4.19Å; T159-Y280 HydrophobicContact CG2-CD2 4.18Å; T159-Y280 HydrophobicContact CG2-CE1 3.71Å; T159-Y280 HydrophobicContact CG2-CE2 3.68Å; T159-Y280 HydrophobicContact CG2-CG 4.41Å; T159-Y280 VanDerWaalsContact CG2-CZ 3.42Å |
| 160 | E | 88.4 | Confident | 95 | Very high | 193 Ų | 193 | 50.8 Ų | 50.8 | 90% | 0.902 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -32 | 179.1 | -62 | 179 | 165.3 | 0 | 0 | 112.1 | G162 | E160-G162 VanDerWaalsContact C-N 3.27Å; E160-G162 PolarHBondContact O-N 3.08Å |
| 161 | E | 91.1 | Very high | 94.9 | Very high | 141 Ų | 141 | 51.9 Ų | 51.9 | 66% | 0.659 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | 10.7 | 176.2 | -35.6 | 95 | 104.4 | 0 | 0 | 113.4 | T159 K164 | T159-E161 WeakPolarHBondContact CB-OE2 3.44Å; T159-E161 PolarHBondContact O-N 3.43Å; T159-E161 PolarHBondContact OG1-OE2 2.91Å; E161-K164 IonicContact OE1-NZ 3.23Å; E161-K164 PolarHBondContact OE1-NZ 2.87Å; E161-K164 IonicContact OE2-NZ 3.72Å; E161-K164 PolarHBondContact OE2-NZ 3.09Å |
| 162 | G | 90.2 | Very high | 94.8 | Very high | 21 Ų | 21 | 54.2 Ų | 54.2 | 22% | 0.216 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 110.1 | -175.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | T159 E160 K164 | T159-G162 WeakPolarHBondContact CA-O 3.46Å; T159-G162 PolarHBondContact N-O 2.91Å; T159-G162 PolarHBondContact O-N 3.18Å; T159-G162 PolarHBondContact OG1-O 2.8Å; E160-G162 VanDerWaalsContact C-N 3.27Å; E160-G162 PolarHBondContact O-N 3.08Å; G162-K164 PolarHBondContact O-N 3.49Å |
| 163 | P | 92.6 | Very high | 94.9 | Very high | 107 Ų | 107 | 51.6 Ų | 51.6 | 70% | 0.695 | 29% | 0.291 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 130.1 | 178.4 | 28.4 | -33.9 | 0 | 0 | 0 | 111.1 | L158 | L158-P163 HydrophobicContact CD1-CB 4.37Å |
| 164 | K | 93.4 | Very high | 94.8 | Very high | 58 Ų | 58 | 51.8 Ų | 51.8 | 25% | 0.252 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 140.7 | 173.6 | -65.5 | -167.8 | 176.7 | 95 | 0 | 110 | A156 F157 T159 E161 G162 Y166 | A156-K164 WeakPolarHBondContact CA-O 3.25Å; F157-K164 HydrophobicContact CE2-CB 4.36Å; F157-K164 PolarHBondContact N-O 3.41Å; F157-K164 PolarHBondContact O-N 2.93Å; F157-K164 VanDerWaalsContact O-O 3.13Å; T159-K164 HydrophobicContact CG2-CB 4.31Å; T159-K164 HydrophobicContact CG2-CD 3.93Å; T159-K164 HydrophobicContact CG2-CG 4.03Å; T159-K164 PolarHBondContact OG1-NZ 2.92Å; E161-K164 IonicContact OE1-NZ 3.23Å; E161-K164 PolarHBondContact OE1-NZ 2.87Å; E161-K164 IonicContact OE2-NZ 3.72Å; E161-K164 PolarHBondContact OE2-NZ 3.09Å; G162-K164 PolarHBondContact O-N 3.49Å; K164-Y166 HydrophobicContact CB-CE2 4.1Å |
| 165 | S | 94.9 | Very high | 94.8 | Very high | 65 Ų | 65 | 58.2 Ų | 58.2 | 46% | 0.455 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 136.9 | 177.6 | -171.2 | 0 | 0 | 0 | 0 | 109.6 | T154 L155 | T154-S165 VanDerWaalsContact CG2-OG 3.29Å; T154-S165 WeakPolarHBondContact CG2-OG 3.41Å; L155-S165 WeakPolarHBondContact O-CA 3.34Å |
| 166 | Y | 96 | Very high | 94.8 | Very high | 23 Ų | 23 | 58.2 Ų | 58.2 | 9% | 0.09 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 109.6 | -179.5 | -65.9 | -89.5 | 0 | 0 | 0 | 108.9 | T154 L155 F157 K164 F290 I294 | T154-Y166 WeakPolarHBondContact CA-O 3.48Å; L155-Y166 PolarHBondContact N-O 2.87Å; L155-Y166 PolarHBondContact O-N 3.43Å; F157-Y166 AromaticContact CE1-CD2 3.88Å; F157-Y166 HydrophobicContact CE1-CD2 3.88Å; F157-Y166 AromaticContact CE1-CE2 3.9Å; F157-Y166 HydrophobicContact CE1-CE2 3.9Å; F157-Y166 HydrophobicContact CE2-CE2 4.39Å; F157-Y166 HydrophobicContact CZ-CD2 4.01Å; F157-Y166 AromaticContact CZ-CE2 3.52Å; F157-Y166 HydrophobicContact CZ-CE2 3.52Å; K164-Y166 HydrophobicContact CB-CE2 4.1Å; Y166-F290 HydrophobicContact CD1-CB 3.6Å; Y166-F290 HydrophobicContact CD1-CG 4.3Å; Y166-F290 HydrophobicContact CE1-CB 4.09Å; Y166-F290 HydrophobicContact CG-CB 3.87Å; Y166-F290 HydrophobicContact CG-CD1 4.24Å; Y166-F290 HydrophobicContact CG-CG 4.11Å; Y166-I294 HydrophobicContact CD1-CD1 3.36Å; Y166-I294 HydrophobicContact CD1-CG1 4.01Å; Y166-I294 HydrophobicContact CE1-CD1 3.53Å; Y166-I294 HydrophobicContact CE1-CG1 4.37Å; Y166-I294 HydrophobicContact CG-CD1 4.39Å |
| 167 | T | 96.6 | Very high | 94.8 | Very high | 78 Ų | 78 | 57.4 Ų | 57.4 | 48% | 0.479 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 138.9 | 176.7 | -57.7 | 0 | 0 | 0 | 0 | 110.5 | L153 T154 | L153-T167 CarbonylContact O-C 3.6Å; L153-T167 WeakPolarHBondContact O-CA 3.39Å; T154-T167 WeakPolarHBondContact OG1-CG2 3.26Å; T154-T167 PolarHBondContact OG1-OG1 3.23Å |
| 168 | I | 96.6 | Very high | 94.9 | Very high | 7 Ų | 7 | 60.9 Ų | 60.9 | 4% | 0.036 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 150.2 | 174.1 | 64.8 | 177.4 | 0 | 0 | 0 | 110.4 | T152 L153 L172 I173 Y176 F289 F290 C293 | T152-I168 WeakPolarHBondContact CA-O 3.38Å; L153-I168 HydrophobicContact CB-CG1 3.95Å; L153-I168 HydrophobicContact CD2-CD1 4.21Å; L153-I168 HydrophobicContact CD2-CG1 4.19Å; L153-I168 PolarHBondContact N-O 2.9Å; L153-I168 PolarHBondContact O-N 3.07Å; I168-L172 HydrophobicContact CB-CB 3.97Å; I168-L172 HydrophobicContact CB-CD1 4.25Å; I168-L172 HydrophobicContact CD1-CB 4.08Å; I168-L172 HydrophobicContact CG1-CB 4.41Å; I168-L172 HydrophobicContact CG2-CB 4.48Å; I168-L172 HydrophobicContact CG2-CD1 4.28Å; I168-I173 HydrophobicContact CD1-CG1 4.43Å; I168-I173 HydrophobicContact CG1-CG1 4.39Å; I168-Y176 HydrophobicContact CD1-CG 4.38Å; I168-F289 HydrophobicContact CD1-CE1 4.03Å; I168-F289 HydrophobicContact CD1-CZ 4.21Å; I168-F290 HydrophobicContact CD1-CE1 4.24Å; I168-F290 HydrophobicContact CG2-CD1 4.18Å; I168-F290 HydrophobicContact CG2-CE1 4.16Å; I168-C293 HydrophobicContact CG2-CB 3.97Å |
| 169 | G | 96.9 | Very high | 95.1 | Very high | 31 Ų | 31 | 55.1 Ų | 55.1 | 32% | 0.32 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 169.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | A151 T171 L172 I173 | A151-G169 CarbonylContact O-C 3.49Å; A151-G169 WeakPolarHBondContact O-CA 3.46Å; G169-T171 PolarHBondContact O-N 2.87Å; G169-L172 PolarHBondContact O-N 2.86Å; G169-I173 PolarHBondContact O-N 2.84Å |
| 170 | R | 97.5 | Very high | 95.5 | Very high | 23 Ų | 23 | 54.7 Ų | 54.7 | 9% | 0.087 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -42.6 | -34.6 | -177.9 | 173.2 | 59.6 | -173.1 | 76.7 | 2.1 | 116.2 | E140 T144 E148 A151 L172 P174 | E140-R170 PolarHBondContact O-NH2 3.08Å; E140-R170 IonicContact OE2-CZ 3.29Å; E140-R170 IonicContact OE2-NH1 3.15Å; E140-R170 PolarHBondContact OE2-NH1 3.48Å; E140-R170 IonicContact OE2-NH2 3.7Å; E140-R170 PolarHBondContact OE2-NH2 2.86Å; T144-R170 PolarHBondContact OG1-NH2 2.85Å; E148-R170 WeakPolarHBondContact O-CD 3.37Å; E148-R170 WeakPolarHBondContact O-CG 3.17Å; A151-R170 HydrophobicContact CB-CB 4.4Å; A151-R170 PolarHBondContact O-N 3.34Å; R170-L172 PolarHBondContact O-N 2.83Å; R170-P174 WeakPolarHBondContact O-CD 3.35Å |
| 171 | T | 96.1 | Very high | 95.9 | Very high | 109 Ų | 109 | 46 Ų | 46 | 67% | 0.669 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -8.9 | 178.8 | 56 | 0 | 0 | 0 | 0 | 114.7 | G169 | G169-T171 PolarHBondContact O-N 2.87Š|
| 172 | L | 96.9 | Very high | 96 | Very high | 50 Ų | 50 | 43.7 Ų | 43.7 | 26% | 0.262 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.5 | -17.2 | 179.4 | -68 | 173.2 | 0 | 0 | 0 | 112.9 | I168 G169 R170 R175 Y176 F289 C293 | I168-L172 HydrophobicContact CB-CB 3.97Å; I168-L172 HydrophobicContact CB-CD1 4.25Å; I168-L172 HydrophobicContact CD1-CB 4.08Å; I168-L172 HydrophobicContact CG1-CB 4.41Å; I168-L172 HydrophobicContact CG2-CB 4.48Å; I168-L172 HydrophobicContact CG2-CD1 4.28Å; G169-L172 PolarHBondContact O-N 2.86Å; R170-L172 PolarHBondContact O-N 2.83Å; L172-R175 WeakPolarHBondContact O-CA 3.47Å; L172-R175 WeakPolarHBondContact O-CB 3.3Å; L172-R175 PolarHBondContact O-N 2.9Å; L172-Y176 PolarHBondContact O-N 3.07Å; L172-F289 HydrophobicContact CB-CZ 4.28Å; L172-C293 HydrophobicContact CD1-CB 4.34Å |
| 173 | I | 98.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -53 | -45.8 | 174.9 | -61.6 | -178 | 0 | 0 | 0 | 112.8 | F147 A151 L153 I168 G169 R175 Y176 F177 | F147-I173 HydrophobicContact CD1-CD1 3.75Å; F147-I173 HydrophobicContact CD1-CG2 4.3Å; F147-I173 HydrophobicContact CD2-CG2 4.04Å; F147-I173 HydrophobicContact CE1-CD1 4.15Å; F147-I173 HydrophobicContact CE1-CG2 4.17Å; F147-I173 HydrophobicContact CE2-CG2 3.92Å; F147-I173 HydrophobicContact CG-CD1 4.23Å; F147-I173 HydrophobicContact CG-CG2 4.24Å; F147-I173 HydrophobicContact CZ-CG2 3.99Å; A151-I173 HydrophobicContact CB-CD1 4.19Å; L153-I173 HydrophobicContact CB-CD1 3.89Å; L153-I173 HydrophobicContact CB-CG1 3.89Å; L153-I173 HydrophobicContact CD1-CG1 4.4Å; L153-I173 HydrophobicContact CD1-CG2 4.22Å; I168-I173 HydrophobicContact CD1-CG1 4.43Å; I168-I173 HydrophobicContact CG1-CG1 4.39Å; G169-I173 PolarHBondContact O-N 2.84Å; I173-R175 PolarHBondContact O-N 3.29Å; I173-Y176 WeakPolarHBondContact O-CB 3.27Å; I173-Y176 PolarHBondContact O-N 2.84Å; I173-Y176 VanDerWaalsContact O-N 3.16Å; I173-F177 HydrophobicContact CG2-CD2 3.95Å; I173-F177 HydrophobicContact CG2-CE2 3.66Å; I173-F177 WeakPolarHBondContact O-CD2 3.41Å; I173-F177 PolarHBondContact O-N 3.47Å |
| 174 | P | 97.7 | Very high | 96.2 | Very high | 4 Ų | 4 | 39.1 Ų | 39.1 | 3% | 0.026 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -51.7 | -39.6 | 172.2 | -25.3 | 28.9 | 0 | 0 | 0 | 113.6 | W139 E140 A143 R170 R178 | W139-P174 HydrophobicContact CB-CB 4.03Å; E140-P174 VanDerWaalsContact CD-CG 3.46Å; E140-P174 HydrophobicContact CG-CG 4.44Å; E140-P174 WeakPolarHBondContact OE1-CG 3.35Å; E140-P174 VanDerWaalsContact OE2-CG 3.26Å; E140-P174 WeakPolarHBondContact OE2-CG 3.46Å; A143-P174 HydrophobicContact CB-CG 3.66Å; R170-P174 WeakPolarHBondContact O-CD 3.35Å; P174-R178 VanDerWaalsContact O-CB 3.27Å; P174-R178 WeakPolarHBondContact O-CB 3.37Å; P174-R178 PolarHBondContact O-N 2.8Å |
| 175 | R | 97 | Very high | 96.3 | Very high | 155 Ų | 155 | 36.5 Ų | 36.5 | 59% | 0.585 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -79 | -30.7 | -177.2 | -59.3 | -175.6 | -176.4 | -161.3 | -1.4 | 112.5 | L172 I173 S179 F289 | L172-R175 WeakPolarHBondContact O-CA 3.47Å; L172-R175 WeakPolarHBondContact O-CB 3.3Å; L172-R175 PolarHBondContact O-N 2.9Å; I173-R175 PolarHBondContact O-N 3.29Å; R175-S179 WeakPolarHBondContact O-CB 3.2Å; R175-S179 PolarHBondContact O-N 2.87Å; R175-F289 HydrophobicContact CB-CD2 4.3Å; R175-F289 HydrophobicContact CB-CE2 3.45Å; R175-F289 VanDerWaalsContact CB-CE2 3.45Å; R175-F289 HydrophobicContact CB-CZ 3.86Å |
| 176 | Y | 98 | Very high | 96.3 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58.5 | -58.2 | 172.4 | 163.2 | -109.6 | 0 | 0 | 0 | 110.9 | L153 I168 L172 I173 R178 S179 I180 M282 T286 F290 | L153-Y176 HydrophobicContact CD1-CD1 3.58Å; L153-Y176 HydrophobicContact CD1-CE1 3.76Å; L153-Y176 HydrophobicContact CD1-CG 4.42Å; L153-Y176 HydrophobicContact CD2-CD1 4.09Å; L153-Y176 HydrophobicContact CD2-CE1 4.16Å; L153-Y176 HydrophobicContact CD2-CG 4.29Å; I168-Y176 HydrophobicContact CD1-CG 4.38Å; L172-Y176 PolarHBondContact O-N 3.07Å; I173-Y176 WeakPolarHBondContact O-CB 3.27Å; I173-Y176 PolarHBondContact O-N 2.84Å; I173-Y176 VanDerWaalsContact O-N 3.16Å; Y176-R178 PolarHBondContact O-N 3.11Å; Y176-S179 PolarHBondContact O-N 2.94Å; Y176-S179 VanDerWaalsContact O-N 3.14Å; Y176-S179 PolarHBondContact O-OG 2.84Å; Y176-I180 HydrophobicContact CE1-CD1 4.29Å; Y176-I180 HydrophobicContact CE2-CD1 4.14Å; Y176-M282 HydrophobicContact CE2-CE 4.18Å; Y176-T286 HydrophobicContact CD2-CG2 3.92Å; Y176-T286 HydrophobicContact CE2-CG2 3.8Å; Y176-F290 HydrophobicContact CD2-CE1 4.23Å; Y176-F290 AromaticContact CD2-CE2 3.66Å; Y176-F290 HydrophobicContact CD2-CE2 3.66Å; Y176-F290 AromaticContact CD2-CZ 3.35Å; Y176-F290 HydrophobicContact CD2-CZ 3.35Å; Y176-F290 AromaticContact CE2-CE2 3.6Å; Y176-F290 HydrophobicContact CE2-CE2 3.6Å; Y176-F290 AromaticContact CE2-CZ 3.48Å; Y176-F290 HydrophobicContact CE2-CZ 3.48Å; Y176-F290 VanDerWaalsContact CE2-CZ 3.48Å; Y176-F290 HydrophobicContact CG-CZ 4.32Å |
| 177 | F | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.3 | -44.4 | -180 | -71.1 | -73.8 | 0 | 0 | 0 | 111.7 | W139 F142 F147 L153 I173 S179 I180 F181 L188 Y190 | W139-F177 HydrophobicContact CE3-CB 4.09Å; W139-F177 HydrophobicContact CH2-CB 4.29Å; W139-F177 HydrophobicContact CZ3-CB 3.53Å; F142-F177 HydrophobicContact CD1-CD2 4.5Å; F142-F177 AromaticContact CE1-CD2 3.66Å; F142-F177 HydrophobicContact CE1-CD2 3.66Å; F142-F177 AromaticContact CE1-CE2 3.9Å; F142-F177 HydrophobicContact CE1-CE2 3.9Å; F142-F177 HydrophobicContact CE1-CG 4.02Å; F142-F177 HydrophobicContact CE1-CZ 4.46Å; F147-F177 AromaticContact CE2-CE2 3.8Å; F147-F177 HydrophobicContact CE2-CE2 3.8Å; F147-F177 HydrophobicContact CE2-CZ 4.3Å; F147-F177 AromaticContact CZ-CE2 3.73Å; F147-F177 HydrophobicContact CZ-CE2 3.73Å; F147-F177 AromaticContact CZ-CZ 3.96Å; F147-F177 HydrophobicContact CZ-CZ 3.96Å; L153-F177 HydrophobicContact CD1-CE2 4.22Å; L153-F177 HydrophobicContact CD1-CZ 4.37Å; I173-F177 HydrophobicContact CG2-CD2 3.95Å; I173-F177 HydrophobicContact CG2-CE2 3.66Å; I173-F177 WeakPolarHBondContact O-CD2 3.41Å; I173-F177 PolarHBondContact O-N 3.47Å; F177-S179 VanDerWaalsContact C-N 3.29Å; F177-S179 PolarHBondContact O-N 3.2Å; F177-I180 WeakPolarHBondContact O-CB 3.4Å; F177-I180 PolarHBondContact O-N 3.49Å; F177-I180 VanDerWaalsContact O-N 3.11Å; F177-F181 WeakPolarHBondContact O-CD2 3.48Å; F177-L188 HydrophobicContact CD1-CD2 3.92Å; F177-L188 HydrophobicContact CE1-CD2 4.39Å; F177-Y190 HydrophobicContact CE1-CE2 4.1Å |
| 178 | R | 96.5 | Very high | 96.4 | Very high | 80 Ų | 80 | 34.4 Ų | 34.4 | 30% | 0.302 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -53.8 | -42.2 | 174.1 | -179.3 | 176 | 162.4 | 137.9 | 10.8 | 113 | S136 W139 P174 Y176 I180 F181 E182 | S136-R178 PolarHBondContact OG-NH1 3.23Å; W139-R178 HydrophobicContact CD2-CB 3.9Å; W139-R178 HydrophobicContact CE3-CB 4.43Å; W139-R178 HydrophobicContact CG-CB 4.2Å; W139-R178 HydrophobicContact CZ2-CB 4.13Å; W139-R178 HydrophobicContact CZ2-CG 4.49Å; P174-R178 VanDerWaalsContact O-CB 3.27Å; P174-R178 WeakPolarHBondContact O-CB 3.37Å; P174-R178 PolarHBondContact O-N 2.8Å; Y176-R178 PolarHBondContact O-N 3.11Å; R178-I180 PolarHBondContact O-N 2.94Å; R178-F181 PolarHBondContact O-N 2.58Å; R178-E182 HydrophobicContact CG-CG 4.15Å; R178-E182 IonicContact CZ-OE1 3.46Å; R178-E182 VanDerWaalsContact CZ-OE1 3.24Å; R178-E182 IonicContact NE-OE1 2.83Å; R178-E182 PolarHBondContact NE-OE1 2.92Å; R178-E182 IonicContact NH2-OE1 2.73Å; R178-E182 PolarHBondContact NH2-OE1 2.78Å; R178-E182 WeakPolarHBondContact O-CG 3.14Å; R178-E182 PolarHBondContact O-N 2.64Å |
| 179 | S | 96.7 | Very high | 96.4 | Very high | 3 Ų | 3 | 37.8 Ų | 37.8 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.7 | -25.1 | -179.5 | 75.7 | 0 | 0 | 0 | 0 | 114.1 | R175 Y176 F177 S183 T286 | R175-S179 WeakPolarHBondContact O-CB 3.2Å; R175-S179 PolarHBondContact O-N 2.87Å; Y176-S179 PolarHBondContact O-N 2.94Å; Y176-S179 VanDerWaalsContact O-N 3.14Å; Y176-S179 PolarHBondContact O-OG 2.84Å; F177-S179 VanDerWaalsContact C-N 3.29Å; F177-S179 PolarHBondContact O-N 3.2Å; S179-S183 PolarHBondContact O-N 3.39Å; S179-T286 WeakPolarHBondContact OG-CG2 3.32Å; S179-T286 PolarHBondContact OG-OG1 3.05Å |
| 180 | I | 97 | Very high | 96.5 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -69.9 | -49.4 | 174.5 | -61.5 | 170.3 | 0 | 0 | 0 | 109.8 | Y176 F177 R178 S183 C185 L188 M215 M282 T286 | Y176-I180 HydrophobicContact CE1-CD1 4.29Å; Y176-I180 HydrophobicContact CE2-CD1 4.14Å; F177-I180 WeakPolarHBondContact O-CB 3.4Å; F177-I180 PolarHBondContact O-N 3.49Å; F177-I180 VanDerWaalsContact O-N 3.11Å; R178-I180 PolarHBondContact O-N 2.94Å; I180-S183 WeakPolarHBondContact O-CB 3.44Å; I180-S183 PolarHBondContact O-N 3.3Å; I180-S183 VanDerWaalsContact O-N 3.16Å; I180-S183 PolarHBondContact O-OG 3.36Å; I180-C185 HydrophobicContact CG2-CB 3.8Å; I180-C185 VanDerWaalsContact O-CB 3.31Å; I180-C185 WeakPolarHBondContact O-CB 3.23Å; I180-L188 HydrophobicContact CD1-CD2 3.93Å; I180-L188 HydrophobicContact CG2-CD2 4.36Å; I180-M215 HydrophobicContact CG2-CG 4.33Å; I180-M215 HydrophobicContact CG2-SD 3.55Å; I180-M215 VanDerWaalsContact CG2-SD 3.55Å; I180-M282 HydrophobicContact CD1-CE 4.44Å; I180-T286 HydrophobicContact CG1-CG2 4.19Å |
| 181 | F | 95.9 | Very high | 96.5 | Very high | 12 Ų | 12 | 39.1 Ų | 39.1 | 5% | 0.053 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -68.7 | -37.4 | 177.3 | -66.7 | -87.4 | 0 | 0 | 0 | 112.4 | L127 R130 W139 F177 R178 S183 G184 C185 G186 L188 R219 | L127-F181 HydrophobicContact CD2-CE2 4.09Å; L127-F181 HydrophobicContact CD2-CZ 4.33Å; R130-F181 VanDerWaalsContact NE-CE1 3.3Å; W139-F181 AromaticContact CH2-CD2 3.5Å; W139-F181 HydrophobicContact CH2-CD2 3.5Å; W139-F181 VanDerWaalsContact CH2-CD2 3.5Å; W139-F181 AromaticContact CH2-CE2 3.72Å; W139-F181 HydrophobicContact CH2-CE2 3.72Å; W139-F181 HydrophobicContact CH2-CG 4.39Å; W139-F181 HydrophobicContact CZ2-CD2 4.01Å; F177-F181 WeakPolarHBondContact O-CD2 3.48Å; R178-F181 PolarHBondContact O-N 2.58Å; F181-S183 PolarHBondContact O-N 3.46Å; F181-S183 VanDerWaalsContact O-N 3.13Å; F181-G184 PolarHBondContact O-N 3.19Å; F181-G184 VanDerWaalsContact O-N 3.11Å; F181-C185 VanDerWaalsContact CD1-O 3.25Å; F181-C185 WeakPolarHBondContact CD1-O 3.36Å; F181-G186 WeakPolarHBondContact CE1-O 3.47Å; F181-L188 HydrophobicContact CE1-CB 4.4Å; F181-L188 HydrophobicContact CE2-CB 4.09Å; F181-L188 HydrophobicContact CE2-CD2 4.07Å; F181-L188 HydrophobicContact CZ-CB 3.65Å; F181-L188 HydrophobicContact CZ-CD2 4.46Å; F181-R219 PolarHBondContact O-NH2 2.81Å |
| 182 | E | 94.1 | Very high | 96.5 | Very high | 91 Ų | 91 | 35.3 Ų | 35.3 | 43% | 0.425 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -58.9 | -24.7 | 171.9 | -74.9 | -179.2 | 161.9 | 0 | 0 | 112.6 | R178 R219 T285 | R178-E182 HydrophobicContact CG-CG 4.15Å; R178-E182 IonicContact CZ-OE1 3.46Å; R178-E182 VanDerWaalsContact CZ-OE1 3.24Å; R178-E182 IonicContact NE-OE1 2.83Å; R178-E182 PolarHBondContact NE-OE1 2.92Å; R178-E182 IonicContact NH2-OE1 2.73Å; R178-E182 PolarHBondContact NH2-OE1 2.78Å; R178-E182 WeakPolarHBondContact O-CG 3.14Å; R178-E182 PolarHBondContact O-N 2.64Å; E182-R219 VanDerWaalsContact C-NH2 3.26Å; E182-R219 PolarHBondContact O-NH1 2.84Å; E182-R219 PolarHBondContact O-NH2 3.16Å; E182-T285 HydrophobicContact CB-CG2 4.44Å |
| 183 | S | 93.2 | Very high | 96.3 | Very high | 29 Ų | 29 | 40 Ų | 40 | 20% | 0.203 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -16.1 | 176.8 | 77 | 0 | 0 | 0 | 0 | 116.2 | S179 I180 F181 T283 T285 | S179-S183 PolarHBondContact O-N 3.39Å; I180-S183 WeakPolarHBondContact O-CB 3.44Å; I180-S183 PolarHBondContact O-N 3.3Å; I180-S183 VanDerWaalsContact O-N 3.16Å; I180-S183 PolarHBondContact O-OG 3.36Å; F181-S183 PolarHBondContact O-N 3.46Å; F181-S183 VanDerWaalsContact O-N 3.13Å; S183-T283 WeakPolarHBondContact CB-OG1 3.34Å; S183-T283 WeakPolarHBondContact OG-CB 3.43Å; S183-T283 VanDerWaalsContact OG-CG2 3.26Å; S183-T283 WeakPolarHBondContact OG-CG2 3.49Å; S183-T283 PolarHBondContact OG-OG1 2.87Å; S183-T285 WeakPolarHBondContact CB-OG1 3.39Å |
| 184 | G | 93.3 | Very high | 95.8 | Very high | 3 Ų | 3 | 45.9 Ų | 45.9 | 3% | 0.031 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 124 | 0.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | F181 M217 V218 R219 | F181-G184 PolarHBondContact O-N 3.19Å; F181-G184 VanDerWaalsContact O-N 3.11Å; G184-M217 WeakPolarHBondContact O-CA 3.07Å; G184-V218 PolarHBondContact O-N 3.46Å; G184-R219 VanDerWaalsContact CA-CZ 3.48Å; G184-R219 PolarHBondContact O-N 2.6Å |
| 185 | C | 95.5 | Very high | 95.4 | Very high | 3 Ų | 3 | 47.6 Ų | 47.6 | 2% | 0.02 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 127.8 | 172.4 | -168.3 | 0 | 0 | 0 | 0 | 110.2 | I180 F181 E187 M217 | I180-C185 HydrophobicContact CG2-CB 3.8Å; I180-C185 VanDerWaalsContact O-CB 3.31Å; I180-C185 WeakPolarHBondContact O-CB 3.23Å; F181-C185 VanDerWaalsContact CD1-O 3.25Å; F181-C185 WeakPolarHBondContact CD1-O 3.36Å; C185-E187 VanDerWaalsContact SG-C 3.59Å; C185-E187 PolarHBondContact SG-O 3.39Å; C185-M217 VanDerWaalsContact CA-SD 3.57Å; C185-M217 HydrophobicContact CB-CE 4.26Å; C185-M217 HydrophobicContact CB-SD 3.77Å; C185-M217 PolarHBondContact N-SD 3.45Å; C185-M217 VanDerWaalsContact N-SD 3.43Å |
| 186 | G | 94.6 | Very high | 95.1 | Very high | 24 Ų | 24 | 45.1 Ų | 45.1 | 25% | 0.247 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | -38.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | F181 T216 | F181-G186 WeakPolarHBondContact CE1-O 3.47Å; G186-T216 PolarHBondContact N-O 2.97Å |
| 187 | E | 96 | Very high | 94.9 | Very high | 98 Ų | 98 | 50.2 Ų | 50.2 | 46% | 0.458 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 131.5 | -178.6 | -52 | 173.7 | 129.4 | 0 | 0 | 110.9 | C185 M215 T216 | C185-E187 VanDerWaalsContact SG-C 3.59Å; C185-E187 PolarHBondContact SG-O 3.39Å; E187-M215 CarbonylContact O-C 3.56Å; E187-M215 WeakPolarHBondContact O-CA 3.25Å; E187-T216 PolarHBondContact O-N 2.7Å; E187-T216 VanDerWaalsContact OE2-CB 3.29Å; E187-T216 WeakPolarHBondContact OE2-CB 3.3Å; E187-T216 PolarHBondContact OE2-OG1 2.91Å |
| 188 | L | 98 | Very high | 94.5 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 131 | 173.9 | 171.5 | 66.8 | 0 | 0 | 0 | 109.1 | L127 F177 I180 F181 Y190 M213 T214 M215 | L127-L188 HydrophobicContact CD1-CD2 4.15Å; L127-L188 HydrophobicContact CD1-CG 4.28Å; F177-L188 HydrophobicContact CD1-CD2 3.92Å; F177-L188 HydrophobicContact CE1-CD2 4.39Å; I180-L188 HydrophobicContact CD1-CD2 3.93Å; I180-L188 HydrophobicContact CG2-CD2 4.36Å; F181-L188 HydrophobicContact CE1-CB 4.4Å; F181-L188 HydrophobicContact CE2-CB 4.09Å; F181-L188 HydrophobicContact CE2-CD2 4.07Å; F181-L188 HydrophobicContact CZ-CB 3.65Å; F181-L188 HydrophobicContact CZ-CD2 4.46Å; L188-Y190 HydrophobicContact CD1-CE2 4.14Å; L188-Y190 HydrophobicContact CD2-CE2 4.17Å; L188-Y190 HydrophobicContact CG-CE2 4.05Å; L188-M213 HydrophobicContact CD1-CG 3.66Å; L188-M213 HydrophobicContact CD1-SD 4.01Å; L188-T214 WeakPolarHBondContact CA-O 3.44Å; L188-M215 HydrophobicContact CD1-CG 3.7Å; L188-M215 HydrophobicContact CD1-SD 4.48Å |
| 189 | Y | 97.8 | Very high | 94.2 | Very high | 78 Ų | 78 | 57.7 Ų | 57.7 | 31% | 0.306 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 157.3 | 169.8 | 65.1 | -91.8 | 0 | 0 | 0 | 112.9 | N124 T214 | N124-Y189 WeakPolarHBondContact OD1-CA 3.23Å; Y189-T214 HydrophobicContact CE1-CG2 3.85Å; Y189-T214 HydrophobicContact CE2-CG2 4.46Å; Y189-T214 PolarHBondContact N-O 2.95Å; Y189-T214 VanDerWaalsContact N-O 3.09Å; Y189-T214 PolarHBondContact O-N 3.32Å |
| 190 | Y | 98.1 | Very high | 93.7 | Very high | 6 Ų | 6 | 64.6 Ų | 64.6 | 2% | 0.024 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 121.2 | 178.4 | -59.9 | -93.2 | 0 | 0 | 0 | 109.8 | M123 N124 F177 L188 M213 W246 | M123-Y190 HydrophobicContact CE-CD2 3.56Å; M123-Y190 HydrophobicContact CE-CE2 4.01Å; M123-Y190 HydrophobicContact CE-CG 4.42Å; N124-Y190 PolarHBondContact ND2-O 2.6Å; N124-Y190 PolarHBondContact OD1-N 3.39Å; F177-Y190 HydrophobicContact CE1-CE2 4.1Å; L188-Y190 HydrophobicContact CD1-CE2 4.14Å; L188-Y190 HydrophobicContact CD2-CE2 4.17Å; L188-Y190 HydrophobicContact CG-CE2 4.05Å; Y190-M213 HydrophobicContact CD1-CB 3.73Å; Y190-M213 HydrophobicContact CD1-CG 3.87Å; Y190-M213 HydrophobicContact CE1-CB 3.61Å; Y190-M213 HydrophobicContact CE1-CG 3.36Å; Y190-M213 HydrophobicContact CE1-SD 3.58Å; Y190-M213 VanDerWaalsContact CE1-SD 3.58Å; Y190-M213 PolarHBondContact OH-SD 2.85Å; Y190-W246 HydrophobicContact CD1-CH2 4.06Å; Y190-W246 AromaticContact CD1-CZ2 3.89Å; Y190-W246 HydrophobicContact CD1-CZ2 3.89Å; Y190-W246 AromaticContact CD2-CH2 4Å; Y190-W246 HydrophobicContact CD2-CH2 4Å; Y190-W246 HydrophobicContact CD2-CZ2 4.5Å; Y190-W246 HydrophobicContact CE1-CH2 4Å; Y190-W246 AromaticContact CE1-CZ2 3.54Å; Y190-W246 HydrophobicContact CE1-CZ2 3.54Å; Y190-W246 AromaticContact CE2-CH2 3.94Å; Y190-W246 HydrophobicContact CE2-CH2 3.94Å; Y190-W246 HydrophobicContact CE2-CZ2 4.2Å; Y190-W246 HydrophobicContact CG-CH2 4.07Å; Y190-W246 HydrophobicContact CG-CZ2 4.37Å; Y190-W246 AromaticContact CZ-CH2 3.94Å; Y190-W246 AromaticContact CZ-CZ2 3.71Å |
| 191 | N | 96.9 | Very high | 93.3 | Very high | 77 Ų | 77 | 71.3 Ų | 71.3 | 41% | 0.412 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 131.7 | 172.3 | -171.3 | -65.9 | 0 | 0 | 0 | 108.7 | R193 A211 T212 | N191-R193 VanDerWaalsContact OD1-CG 3.27Å; N191-R193 WeakPolarHBondContact OD1-CG 3.48Å; N191-A211 WeakPolarHBondContact O-CA 3.42Å; N191-T212 PolarHBondContact N-O 3.04Å; N191-T212 PolarHBondContact O-N 2.65Å |
| 192 | L | 96.3 | Very high | 93.1 | Very high | 28 Ų | 28 | 74.5 Ų | 74.5 | 15% | 0.147 | 36% | 0.357 | C | S | . | . | trans | -112.5 | 133.1 | -175.2 | -52.5 | -175.6 | 0 | 0 | 0 | 109.3 | I120 N195 L206 A211 L231 | I120-L192 HydrophobicContact CB-CD1 4.18Å; I120-L192 HydrophobicContact CG1-CD1 4.05Å; I120-L192 HydrophobicContact CG2-CD1 3.99Å; I120-L192 HydrophobicContact CG2-CG 4.29Å; L192-N195 VanDerWaalsContact C-OD1 3.24Å; L192-N195 WeakPolarHBondContact CB-ND2 3.46Å; L192-N195 WeakPolarHBondContact CB-OD1 3.45Å; L192-L206 HydrophobicContact CD1-CD1 3.84Å; L192-L206 HydrophobicContact CD1-CD2 3.97Å; L192-A211 HydrophobicContact CD2-CB 3.94Å; L192-L231 HydrophobicContact CD2-CB 4.4Å; L192-L231 HydrophobicContact CD2-CD2 3.51Å | ||
| 193 | R | 93.1 | Very high | 93 | Very high | 149 Ų | 149 | 72 Ų | 72 | 56% | 0.562 | 35% | 0.347 | S | S | * | . | trans | -145.5 | 142.6 | -175.7 | -50.4 | 176.6 | 65 | -156.3 | -1.9 | 110 | N191 N195 S208 S210 | N191-R193 VanDerWaalsContact OD1-CG 3.27Å; N191-R193 WeakPolarHBondContact OD1-CG 3.48Å; R193-N195 VanDerWaalsContact C-OD1 3.24Å; R193-N195 WeakPolarHBondContact CA-OD1 3.12Å; R193-N195 PolarHBondContact N-OD1 3.23Å; R193-S208 PolarHBondContact N-OG 3.41Å; R193-S208 PolarHBondContact O-OG 3.18Å; R193-S210 WeakPolarHBondContact CB-O 3.49Å; R193-S210 PolarHBondContact N-O 2.87Å; R193-S210 CarbonylContact O-C 3.55Å; R193-S210 WeakPolarHBondContact O-CA 3.48Å; R193-S210 WeakPolarHBondContact O-CB 3.3Å; R193-S210 PolarHBondContact O-N 3.39Å | ||
| 194 | L | 88.3 | Confident | 93.1 | Very high | 123 Ų | 123 | 71.1 Ų | 71.1 | 64% | 0.644 | 34% | 0.339 | S | S | * | . | S | Bend | trans | 57.2 | 58.1 | -173 | -50 | 176.9 | 0 | 0 | 0 | 109.8 | E209 | L194-E209 PolarHBondContact O-N 3.22Š|
| 195 | N | 88.3 | Confident | 93.2 | Very high | 41 Ų | 41 | 72.3 Ų | 72.3 | 22% | 0.219 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 140.4 | -178.1 | -52.8 | -1 | 0 | 0 | 0 | 109.4 | E117 L192 R193 D207 S208 | E117-N195 WeakPolarHBondContact CG-ND2 3.39Å; E117-N195 WeakPolarHBondContact OE1-CB 3.4Å; E117-N195 PolarHBondContact OE1-ND2 3.46Å; L192-N195 VanDerWaalsContact C-OD1 3.24Å; L192-N195 WeakPolarHBondContact CB-ND2 3.46Å; L192-N195 WeakPolarHBondContact CB-OD1 3.45Å; R193-N195 VanDerWaalsContact C-OD1 3.24Å; R193-N195 WeakPolarHBondContact CA-OD1 3.12Å; R193-N195 PolarHBondContact N-OD1 3.23Å; N195-D207 CarbonylContact C-O 3.24Å; N195-D207 WeakPolarHBondContact CA-O 3.38Å; N195-S208 WeakPolarHBondContact OD1-CB 3.49Å; N195-S208 PolarHBondContact OD1-OG 3.2Å |
| 196 | H | 92.3 | Very high | 93.2 | Very high | 102 Ų | 102 | 72.2 Ų | 72.2 | 47% | 0.472 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 124.2 | 169.5 | -65.3 | -66 | 0 | 0 | 0 | 109.3 | Y198 D207 | H196-Y198 HydrophobicContact CB-CD2 4.46Å; H196-Y198 HydrophobicContact CB-CE2 3.57Å; H196-D207 PolarHBondContact N-O 2.88Å; H196-D207 PolarHBondContact O-N 3.2Å |
| 197 | E | 92.3 | Very high | 93.3 | Very high | 107 Ų | 107 | 71.8 Ų | 71.8 | 50% | 0.5 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 128.7 | 176.9 | -65.1 | 174.2 | -101.7 | 0 | 0 | 110 | P116 T205 | P116-E197 VanDerWaalsContact CD-OE2 3.31Å; P116-E197 WeakPolarHBondContact CD-OE2 3.4Å; P116-E197 HydrophobicContact CG-CG 4.02Å; E197-T205 CarbonylContact C-O 3.6Å; E197-T205 WeakPolarHBondContact CA-O 3.44Å |
| 198 | Y | 91 | Very high | 93.3 | Very high | 129 Ų | 129 | 67.1 Ų | 67.1 | 51% | 0.506 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 114.5 | 176.2 | -54.8 | -88.8 | 0 | 0 | 0 | 109.3 | H196 T205 D207 | H196-Y198 HydrophobicContact CB-CD2 4.46Å; H196-Y198 HydrophobicContact CB-CE2 3.57Å; Y198-T205 PolarHBondContact N-O 3.42Å; Y198-T205 PolarHBondContact O-N 2.82Å; Y198-D207 HydrophobicContact CE2-CB 4.14Å |
| 199 | F | 89.4 | Confident | 93.2 | Very high | 109 Ų | 109 | 71.7 Ų | 71.7 | 48% | 0.478 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 119.9 | 176.6 | -178.2 | -121.5 | 0 | 0 | 0 | 111.5 | H201 I203 L204 F237 | F199-H201 HydrophobicContact CE1-CB 4.13Å; F199-H201 HydrophobicContact CE2-CB 4.3Å; F199-H201 HydrophobicContact CZ-CB 3.67Å; F199-I203 VanDerWaalsContact CD2-O 3.3Å; F199-I203 WeakPolarHBondContact CD2-O 3.4Å; F199-L204 HydrophobicContact CB-CD1 4.07Å; F199-L204 HydrophobicContact CD2-CB 4.36Å; F199-L204 HydrophobicContact CD2-CD1 4.35Å; F199-F237 AromaticContact CD2-CD2 3.82Å; F199-F237 HydrophobicContact CD2-CD2 3.82Å; F199-F237 HydrophobicContact CD2-CE2 4.1Å; F199-F237 HydrophobicContact CD2-CG 4.29Å; F199-F237 HydrophobicContact CE2-CB 3.88Å; F199-F237 AromaticContact CE2-CD1 3.81Å; F199-F237 HydrophobicContact CE2-CD1 3.81Å; F199-F237 AromaticContact CE2-CD2 3.36Å; F199-F237 HydrophobicContact CE2-CD2 3.36Å; F199-F237 HydrophobicContact CE2-CE1 4.17Å; F199-F237 AromaticContact CE2-CE2 3.78Å; F199-F237 HydrophobicContact CE2-CE2 3.78Å; F199-F237 AromaticContact CE2-CG 3.4Å; F199-F237 HydrophobicContact CE2-CG 3.4Å; F199-F237 HydrophobicContact CE2-CZ 4.16Å; F199-F237 AromaticContact CZ-CD1 3.93Å; F199-F237 HydrophobicContact CZ-CD1 3.93Å; F199-F237 HydrophobicContact CZ-CD2 4.18Å; F199-F237 HydrophobicContact CZ-CE1 4.04Å; F199-F237 HydrophobicContact CZ-CE2 4.3Å; F199-F237 HydrophobicContact CZ-CG 4.02Å; F199-F237 HydrophobicContact CZ-CZ 4.23Å |
| 200 | H | 87.3 | Confident | 93.1 | Very high | 147 Ų | 147 | 70 Ų | 70 | 68% | 0.681 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 86.9 | 172.6 | -179.7 | -68 | 0 | 0 | 0 | 108.8 | I203 | H200-I203 CarbonylContact C-O 3.47Å; H200-I203 VanDerWaalsContact C-O 3.24Å; H200-I203 PolarHBondContact N-O 2.73Å; H200-I203 WeakPolarHBondContact O-CA 3.33Å; H200-I203 PolarHBondContact O-N 3.29Å; H200-I203 VanDerWaalsContact O-O 3.11Å |
| 201 | H | 86.9 | Confident | 93.1 | Very high | 142 Ų | 142 | 69.8 Ų | 69.8 | 66% | 0.657 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -39.7 | 126.9 | -177.6 | -170 | -50.6 | 0 | 0 | 0 | 112.7 | F199 | F199-H201 HydrophobicContact CE1-CB 4.13Å; F199-H201 HydrophobicContact CE2-CB 4.3Å; F199-H201 HydrophobicContact CZ-CB 3.67Å |
| 202 | P | 91.9 | Very high | 93.2 | Very high | 79 Ų | 79 | 67.3 Ų | 67.3 | 51% | 0.513 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -94.2 | 26.5 | 7.7 | 39.7 | -37.2 | 0 | 0 | 0 | 114.4 | F237 | P202-F237 WeakPolarHBondContact O-CB 3.46Å; P202-F237 PolarHBondContact O-N 3.18Å |
| 203 | I | 92.9 | Very high | 93.3 | Very high | 39 Ų | 39 | 66 Ų | 66 | 20% | 0.2 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 140.7 | -174.7 | -60.6 | 175.7 | 0 | 0 | 0 | 110.7 | F199 H200 D234 F235 | F199-I203 VanDerWaalsContact CD2-O 3.3Å; F199-I203 WeakPolarHBondContact CD2-O 3.4Å; H200-I203 CarbonylContact C-O 3.47Å; H200-I203 VanDerWaalsContact C-O 3.24Å; H200-I203 PolarHBondContact N-O 2.73Å; H200-I203 WeakPolarHBondContact O-CA 3.33Å; H200-I203 PolarHBondContact O-N 3.29Å; H200-I203 VanDerWaalsContact O-O 3.11Å; I203-D234 HydrophobicContact CG2-CB 3.76Å; I203-F235 WeakPolarHBondContact CA-O 3.32Å |
| 204 | L | 94.3 | Very high | 93.5 | Very high | 9 Ų | 9 | 59.2 Ų | 59.2 | 5% | 0.047 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 113.2 | 165.3 | 177.8 | 64.8 | 0 | 0 | 0 | 109 | G114 P116 F199 F235 F237 M241 | G114-L204 WeakPolarHBondContact O-CD2 3.27Å; P116-L204 HydrophobicContact CB-CD2 4.27Å; P116-L204 HydrophobicContact CG-CD2 3.94Å; P116-L204 HydrophobicContact CG-CG 4.48Å; F199-L204 HydrophobicContact CB-CD1 4.07Å; F199-L204 HydrophobicContact CD2-CB 4.36Å; F199-L204 HydrophobicContact CD2-CD1 4.35Å; L204-F235 HydrophobicContact CB-CB 4.45Å; L204-F235 PolarHBondContact N-O 3.27Å; L204-F235 PolarHBondContact O-N 2.86Å; L204-F237 HydrophobicContact CB-CD2 4.18Å; L204-M241 HydrophobicContact CD2-CE 3.67Å; L204-M241 HydrophobicContact CD2-SD 4.39Å |
| 205 | T | 95.3 | Very high | 94 | Very high | 29 Ų | 29 | 53.3 Ų | 53.3 | 18% | 0.178 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 119.3 | 178.8 | -54.5 | 0 | 0 | 0 | 0 | 110.1 | E197 Y198 T232 L233 D234 | E197-T205 CarbonylContact C-O 3.6Å; E197-T205 WeakPolarHBondContact CA-O 3.44Å; Y198-T205 PolarHBondContact N-O 3.42Å; Y198-T205 PolarHBondContact O-N 2.82Å; T205-T232 HydrophobicContact CG2-CG2 3.88Å; T205-L233 CarbonylContact C-O 3.5Å; T205-L233 VanDerWaalsContact CA-O 3.27Å; T205-L233 WeakPolarHBondContact CA-O 3.49Å; T205-D234 WeakPolarHBondContact CB-OD1 3.4Å; T205-D234 WeakPolarHBondContact CG2-OD1 3.25Å; T205-D234 PolarHBondContact OG1-OD1 3.18Å |
| 206 | L | 95.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 124.9 | 164.8 | -179.6 | 167.9 | 0 | 0 | 0 | 108.3 | P116 E117 L192 T232 L233 F235 | P116-L206 HydrophobicContact CB-CB 4.17Å; P116-L206 HydrophobicContact CB-CD1 3.85Å; P116-L206 HydrophobicContact CG-CB 4.19Å; P116-L206 HydrophobicContact CG-CD1 3.94Å; P116-L206 HydrophobicContact CG-CG 4.48Å; E117-L206 HydrophobicContact CG-CD1 4.23Å; E117-L206 WeakPolarHBondContact OE1-CD1 3.33Å; L192-L206 HydrophobicContact CD1-CD1 3.84Å; L192-L206 HydrophobicContact CD1-CD2 3.97Å; L206-T232 CarbonylContact O-C 3.5Å; L206-T232 WeakPolarHBondContact O-CA 3.49Å; L206-L233 HydrophobicContact CB-CB 4.41Å; L206-L233 PolarHBondContact N-O 3.29Å; L206-L233 PolarHBondContact O-N 3.43Å; L206-F235 HydrophobicContact CB-CE2 4.18Å |
| 207 | D | 96.7 | Very high | 94.5 | Very high | 16 Ų | 16 | 48.4 Ų | 48.4 | 9% | 0.086 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 106 | 172.6 | -170.3 | 40.6 | 0 | 0 | 0 | 111.1 | N195 H196 Y198 R230 T232 | N195-D207 CarbonylContact C-O 3.24Å; N195-D207 WeakPolarHBondContact CA-O 3.38Å; H196-D207 PolarHBondContact N-O 2.88Å; H196-D207 PolarHBondContact O-N 3.2Å; Y198-D207 HydrophobicContact CE2-CB 4.14Å; D207-R230 VanDerWaalsContact CG-NH2 3.26Å; D207-R230 IonicContact OD1-CZ 3.58Å; D207-R230 IonicContact OD1-NE 2.81Å; D207-R230 PolarHBondContact OD1-NE 3.03Å; D207-R230 IonicContact OD1-NH2 3.36Å; D207-R230 PolarHBondContact OD1-NH2 3.33Å; D207-R230 IonicContact OD2-CZ 3.42Å; D207-R230 VanDerWaalsContact OD2-CZ 3.24Å; D207-R230 IonicContact OD2-NE 3.2Å; D207-R230 PolarHBondContact OD2-NE 3.2Å; D207-R230 IonicContact OD2-NH2 2.7Å; D207-R230 PolarHBondContact OD2-NH2 2.94Å; D207-T232 HydrophobicContact CB-CG2 4.26Å; D207-T232 PolarHBondContact OD1-OG1 3.14Å |
| 208 | S | 96.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 103.1 | 179 | 166.1 | 0 | 0 | 0 | 0 | 109.6 | R193 N195 S210 A211 R230 L231 | R193-S208 PolarHBondContact N-OG 3.41Å; R193-S208 PolarHBondContact O-OG 3.18Å; N195-S208 WeakPolarHBondContact OD1-CB 3.49Å; N195-S208 PolarHBondContact OD1-OG 3.2Å; S208-S210 VanDerWaalsContact C-N 3.27Å; S208-S210 PolarHBondContact O-N 2.8Å; S208-A211 WeakPolarHBondContact OG-CB 3.31Å; S208-A211 PolarHBondContact OG-N 3.4Å; S208-R230 WeakPolarHBondContact O-CA 3.34Å; S208-L231 PolarHBondContact N-O 3.4Å; S208-L231 PolarHBondContact O-N 2.79Å |
| 209 | E | 96.3 | Very high | 94.1 | Very high | 96 Ų | 96 | 48 Ų | 48 | 45% | 0.449 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | -29.2 | 179.4 | -179.9 | 162.1 | -150.2 | 0 | 0 | 112.8 | L194 G229 R251 | L194-E209 PolarHBondContact O-N 3.22Å; E209-G229 VanDerWaalsContact O-O 3.14Å; E209-R251 PolarHBondContact O-NH1 2.91Å; E209-R251 IonicContact OE1-CZ 3.97Å; E209-R251 IonicContact OE1-NH1 3.02Å; E209-R251 PolarHBondContact OE1-NH1 3.42Å; E209-R251 IonicContact OE1-NH2 3.94Å; E209-R251 PolarHBondContact OE1-NH2 3.11Å |
| 210 | S | 96.2 | Very high | 93.6 | Very high | 42 Ų | 42 | 48.4 Ų | 48.4 | 29% | 0.294 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 55.2 | -178.5 | -164.7 | 0 | 0 | 0 | 0 | 111.5 | R193 S208 | R193-S210 WeakPolarHBondContact CB-O 3.49Å; R193-S210 PolarHBondContact N-O 2.87Å; R193-S210 CarbonylContact O-C 3.55Å; R193-S210 WeakPolarHBondContact O-CA 3.48Å; R193-S210 WeakPolarHBondContact O-CB 3.3Å; R193-S210 PolarHBondContact O-N 3.39Å; S208-S210 VanDerWaalsContact C-N 3.27Å; S208-S210 PolarHBondContact O-N 2.8Å |
| 211 | A | 97.8 | Very high | 93.6 | Very high | 2 Ų | 2 | 41.9 Ų | 41.9 | 2% | 0.017 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 140.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | N191 L192 S208 G229 L231 F248 | N191-A211 WeakPolarHBondContact O-CA 3.42Å; L192-A211 HydrophobicContact CD2-CB 3.94Å; S208-A211 WeakPolarHBondContact OG-CB 3.31Å; S208-A211 PolarHBondContact OG-N 3.4Å; A211-G229 PolarHBondContact N-O 2.94Å; A211-G229 PolarHBondContact O-N 2.89Å; A211-G229 VanDerWaalsContact O-O 3.06Å; A211-L231 HydrophobicContact CB-CB 3.44Å; A211-L231 VanDerWaalsContact CB-CB 3.44Å; A211-F248 HydrophobicContact CB-CE2 4.29Å |
| 212 | T | 98.1 | Very high | 93.8 | Very high | 25 Ų | 25 | 37 Ų | 37 | 15% | 0.153 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 119.2 | 172.4 | 68.6 | 0 | 0 | 0 | 0 | 111.4 | N191 V227 E228 | N191-T212 PolarHBondContact N-O 3.04Å; N191-T212 PolarHBondContact O-N 2.65Å; T212-V227 CarbonylContact C-O 3.58Å; T212-V227 VanDerWaalsContact CA-O 3.29Å; T212-V227 WeakPolarHBondContact CA-O 3.26Å; T212-E228 HydrophobicContact CG2-CG 4.11Å |
| 213 | M | 98.4 | Very high | 94 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 124.4 | 166.6 | -179.8 | -175.5 | 74.7 | 0 | 0 | 108.2 | L188 Y190 M215 V227 F248 M282 | L188-M213 HydrophobicContact CD1-CG 3.66Å; L188-M213 HydrophobicContact CD1-SD 4.01Å; Y190-M213 HydrophobicContact CD1-CB 3.73Å; Y190-M213 HydrophobicContact CD1-CG 3.87Å; Y190-M213 HydrophobicContact CE1-CB 3.61Å; Y190-M213 HydrophobicContact CE1-CG 3.36Å; Y190-M213 HydrophobicContact CE1-SD 3.58Å; Y190-M213 VanDerWaalsContact CE1-SD 3.58Å; Y190-M213 PolarHBondContact OH-SD 2.85Å; M213-M215 HydrophobicContact CE-CE 3.82Å; M213-M215 HydrophobicContact CE-CG 4.43Å; M213-M215 HydrophobicContact CE-SD 3.95Å; M213-V227 HydrophobicContact CB-CB 4.3Å; M213-V227 HydrophobicContact CE-CB 4.01Å; M213-V227 HydrophobicContact CE-CG1 4.4Å; M213-V227 HydrophobicContact CE-CG2 3.69Å; M213-V227 PolarHBondContact N-O 3.13Å; M213-V227 PolarHBondContact O-N 2.93Å; M213-F248 HydrophobicContact CB-CE1 3.82Å; M213-F248 HydrophobicContact CB-CZ 3.89Å; M213-F248 HydrophobicContact CE-CE1 4.35Å; M213-F248 HydrophobicContact SD-CE1 4.23Å; M213-M282 HydrophobicContact CE-CE 4.27Å; M213-M282 HydrophobicContact CE-SD 3.61Å |
| 214 | T | 98.1 | Very high | 94.2 | Very high | 6 Ų | 6 | 33.6 Ų | 33.6 | 4% | 0.037 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 135.8 | 176.3 | -58.8 | 0 | 0 | 0 | 0 | 110.5 | L188 Y189 T224 V225 V226 | L188-T214 WeakPolarHBondContact CA-O 3.44Å; Y189-T214 HydrophobicContact CE1-CG2 3.85Å; Y189-T214 HydrophobicContact CE2-CG2 4.46Å; Y189-T214 PolarHBondContact N-O 2.95Å; Y189-T214 VanDerWaalsContact N-O 3.09Å; Y189-T214 PolarHBondContact O-N 3.32Å; T214-T224 HydrophobicContact CG2-CG2 3.63Å; T214-V225 WeakPolarHBondContact CA-O 3.34Å; T214-V226 HydrophobicContact CG2-CG2 4.11Å |
| 215 | M | 97.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 117.6 | 179.2 | -62.8 | -176.8 | -65.8 | 0 | 0 | 110.1 | I180 E187 L188 M213 M217 V225 V227 G281 | I180-M215 HydrophobicContact CG2-CG 4.33Å; I180-M215 HydrophobicContact CG2-SD 3.55Å; I180-M215 VanDerWaalsContact CG2-SD 3.55Å; E187-M215 CarbonylContact O-C 3.56Å; E187-M215 WeakPolarHBondContact O-CA 3.25Å; L188-M215 HydrophobicContact CD1-CG 3.7Å; L188-M215 HydrophobicContact CD1-SD 4.48Å; M213-M215 HydrophobicContact CE-CE 3.82Å; M213-M215 HydrophobicContact CE-CG 4.43Å; M213-M215 HydrophobicContact CE-SD 3.95Å; M215-M217 HydrophobicContact CB-CE 3.73Å; M215-M217 HydrophobicContact CE-CE 3.79Å; M215-M217 HydrophobicContact CG-CE 4.39Å; M215-M217 PolarHBondContact O-N 3.17Å; M215-M217 HydrophobicContact SD-CE 3.85Å; M215-V225 HydrophobicContact CB-CB 4.35Å; M215-V225 HydrophobicContact CE-CB 4.02Å; M215-V225 HydrophobicContact CE-CG1 3.95Å; M215-V225 PolarHBondContact N-O 3.11Å; M215-V225 PolarHBondContact O-N 2.88Å; M215-V227 HydrophobicContact CE-CG2 4.39Å; M215-G281 WeakPolarHBondContact CE-O 3.49Å |
| 216 | T | 96.5 | Very high | 94.4 | Very high | 32 Ų | 32 | 33 Ų | 33 | 20% | 0.196 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 103.9 | 171.8 | -54.3 | 0 | 0 | 0 | 0 | 108.6 | G186 E187 V218 | G186-T216 PolarHBondContact N-O 2.97Å; E187-T216 PolarHBondContact O-N 2.7Å; E187-T216 VanDerWaalsContact OE2-CB 3.29Å; E187-T216 WeakPolarHBondContact OE2-CB 3.3Å; E187-T216 PolarHBondContact OE2-OG1 2.91Å; T216-V218 HydrophobicContact CG2-CG1 4.14Å |
| 217 | M | 94.9 | Very high | 94.6 | Very high | 8 Ų | 8 | 33 Ų | 33 | 4% | 0.039 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 128.6 | 174.4 | -56.7 | -65.5 | 174 | 0 | 0 | 109.5 | G184 C185 M215 P222 V223 V225 I277 T283 | G184-M217 WeakPolarHBondContact O-CA 3.07Å; C185-M217 VanDerWaalsContact CA-SD 3.57Å; C185-M217 HydrophobicContact CB-CE 4.26Å; C185-M217 HydrophobicContact CB-SD 3.77Å; C185-M217 PolarHBondContact N-SD 3.45Å; C185-M217 VanDerWaalsContact N-SD 3.43Å; M215-M217 HydrophobicContact CB-CE 3.73Å; M215-M217 HydrophobicContact CE-CE 3.79Å; M215-M217 HydrophobicContact CG-CE 4.39Å; M215-M217 PolarHBondContact O-N 3.17Å; M215-M217 HydrophobicContact SD-CE 3.85Å; M217-P222 WeakPolarHBondContact O-CA 3.48Å; M217-V223 VanDerWaalsContact CB-O 3.32Å; M217-V223 WeakPolarHBondContact CB-O 3.35Å; M217-V223 PolarHBondContact N-O 2.9Å; M217-V223 PolarHBondContact O-N 3.22Å; M217-V225 HydrophobicContact CE-CG2 4.08Å; M217-V225 HydrophobicContact CG-CG2 4.13Å; M217-I277 HydrophobicContact CB-CD1 4.12Å; M217-I277 HydrophobicContact CG-CD1 3.66Å; M217-T283 HydrophobicContact CE-CG2 3.36Å; M217-T283 HydrophobicContact SD-CG2 4.3Å |
| 218 | V | 91.6 | Very high | 94.6 | Very high | 91 Ų | 91 | 34.7 Ų | 34.7 | 55% | 0.552 | 19% | 0.193 | S | C | * | . | trans | -118.8 | -16.5 | -174.6 | -61 | 0 | 0 | 0 | 0 | 113.5 | G184 T216 | G184-V218 PolarHBondContact O-N 3.46Å; T216-V218 HydrophobicContact CG2-CG1 4.14Å | ||
| 219 | R | 83.3 | Confident | 94.7 | Very high | 137 Ų | 137 | 34.9 Ų | 34.9 | 52% | 0.517 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -89.8 | 147 | 174.1 | -71.5 | -166.9 | -92.5 | 124.1 | -8.7 | 111.2 | F181 E182 G184 I221 | F181-R219 PolarHBondContact O-NH2 2.81Å; E182-R219 VanDerWaalsContact C-NH2 3.26Å; E182-R219 PolarHBondContact O-NH1 2.84Å; E182-R219 PolarHBondContact O-NH2 3.16Å; G184-R219 VanDerWaalsContact CA-CZ 3.48Å; G184-R219 PolarHBondContact O-N 2.6Å; R219-I221 VanDerWaalsContact C-N 3.3Å; R219-I221 PolarHBondContact O-N 2.85Å |
| 220 | S | 80.3 | Confident | 94.7 | Very high | 117 Ų | 117 | 35 Ų | 35 | 82% | 0.818 | 19% | 0.191 | S | C | * | . | S | Bend | trans | 54.3 | -70.3 | -172.4 | 62.4 | 0 | 0 | 0 | 0 | 116.1 | ||
| 221 | I | 86.1 | Confident | 94.8 | Very high | 10 Ų | 10 | 33 Ų | 33 | 5% | 0.051 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -125.3 | 121.1 | -177.2 | -58.2 | 168.5 | 0 | 0 | 0 | 107.8 | R219 V223 M261 Q272 L273 | R219-I221 VanDerWaalsContact C-N 3.3Å; R219-I221 PolarHBondContact O-N 2.85Å; I221-V223 HydrophobicContact CB-CG2 4.22Å; I221-V223 HydrophobicContact CG2-CG2 3.65Å; I221-V223 PolarHBondContact O-N 2.94Å; I221-V223 VanDerWaalsContact O-N 3.08Å; I221-M261 HydrophobicContact CG2-SD 3.86Å; I221-Q272 HydrophobicContact CD1-CG 3.98Å; I221-L273 HydrophobicContact CD1-CD2 4.21Å; I221-L273 HydrophobicContact CG2-CD2 3.6Å |
| 222 | P | 92 | Very high | 94.8 | Very high | 38 Ų | 38 | 34.3 Ų | 34.3 | 25% | 0.247 | 19% | 0.185 | C | C | . | . | trans | -69.2 | 104.4 | 176.4 | 27.1 | -34.2 | 0 | 0 | 0 | 111.3 | M217 M258 M261 | M217-P222 WeakPolarHBondContact O-CA 3.48Å; P222-M258 HydrophobicContact CB-CE 3.89Å; P222-M258 HydrophobicContact CG-CE 3.64Å; P222-M261 HydrophobicContact CG-CE 3.74Å; P222-M261 HydrophobicContact CG-SD 3.93Å | ||
| 223 | V | 94.8 | Very high | 94.8 | Very high | 4 Ų | 4 | 33.1 Ų | 33.1 | 2% | 0.024 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 129.6 | -177.5 | -177.3 | 0 | 0 | 0 | 0 | 109.7 | M217 I221 V225 E255 M256 I257 I277 | M217-V223 VanDerWaalsContact CB-O 3.32Å; M217-V223 WeakPolarHBondContact CB-O 3.35Å; M217-V223 PolarHBondContact N-O 2.9Å; M217-V223 PolarHBondContact O-N 3.22Å; I221-V223 HydrophobicContact CB-CG2 4.22Å; I221-V223 HydrophobicContact CG2-CG2 3.65Å; I221-V223 PolarHBondContact O-N 2.94Å; I221-V223 VanDerWaalsContact O-N 3.08Å; V223-V225 HydrophobicContact CG1-CG2 4.3Å; V223-E255 HydrophobicContact CG1-CB 3.89Å; V223-M256 WeakPolarHBondContact CA-O 3.32Å; V223-I257 HydrophobicContact CG2-CG1 4.24Å; V223-I277 HydrophobicContact CB-CD1 3.88Å; V223-I277 HydrophobicContact CG1-CD1 4.14Å; V223-I277 HydrophobicContact CG1-CG1 4.49Å; V223-I277 HydrophobicContact CG2-CD1 4.16Å |
| 224 | T | 96.8 | Very high | 94.7 | Very high | 44 Ų | 44 | 35.1 Ų | 35.1 | 27% | 0.27 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 113.9 | 167.5 | -50.6 | 0 | 0 | 0 | 0 | 108.9 | T214 V226 M256 | T214-T224 HydrophobicContact CG2-CG2 3.63Å; T224-V226 HydrophobicContact CG2-CG2 4.31Å; T224-M256 HydrophobicContact CG2-CE 3.8Å; T224-M256 PolarHBondContact N-O 3.11Å; T224-M256 PolarHBondContact O-N 2.62Å |
| 225 | V | 97.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 123 | 174 | -172.1 | 0 | 0 | 0 | 0 | 108.4 | T214 M215 M217 V223 V227 R254 E255 I277 T278 | T214-V225 WeakPolarHBondContact CA-O 3.34Å; M215-V225 HydrophobicContact CB-CB 4.35Å; M215-V225 HydrophobicContact CE-CB 4.02Å; M215-V225 HydrophobicContact CE-CG1 3.95Å; M215-V225 PolarHBondContact N-O 3.11Å; M215-V225 PolarHBondContact O-N 2.88Å; M217-V225 HydrophobicContact CE-CG2 4.08Å; M217-V225 HydrophobicContact CG-CG2 4.13Å; V223-V225 HydrophobicContact CG1-CG2 4.3Å; V225-V227 HydrophobicContact CG1-CG2 3.96Å; V225-R254 WeakPolarHBondContact CA-O 3.41Å; V225-E255 HydrophobicContact CG1-CG 4.29Å; V225-E255 HydrophobicContact CG2-CG 4.26Å; V225-I277 HydrophobicContact CG2-CD1 4.2Å; V225-T278 HydrophobicContact CB-CG2 4.46Å; V225-T278 HydrophobicContact CG1-CG2 3.91Å; V225-T278 HydrophobicContact CG2-CG2 3.81Å |
| 226 | V | 97.9 | Very high | 94.5 | Very high | 24 Ų | 24 | 35.6 Ų | 35.6 | 15% | 0.145 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 122.2 | 174.3 | 178.3 | 0 | 0 | 0 | 0 | 108.4 | T214 T224 E228 H253 R254 M256 | T214-V226 HydrophobicContact CG2-CG2 4.11Å; T224-V226 HydrophobicContact CG2-CG2 4.31Å; V226-E228 HydrophobicContact CG1-CG 4.43Å; V226-H253 CarbonylContact O-C 3.57Å; V226-H253 VanDerWaalsContact O-CA 3.26Å; V226-H253 WeakPolarHBondContact O-CA 3.49Å; V226-R254 PolarHBondContact N-O 2.86Å; V226-R254 PolarHBondContact O-N 2.96Å; V226-M256 HydrophobicContact CG2-CE 3.68Å |
| 227 | V | 98.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 115.5 | -177.2 | -173.7 | 0 | 0 | 0 | 0 | 108.4 | T212 M213 M215 V225 F248 I250 H253 G281 | T212-V227 CarbonylContact C-O 3.58Å; T212-V227 VanDerWaalsContact CA-O 3.29Å; T212-V227 WeakPolarHBondContact CA-O 3.26Å; M213-V227 HydrophobicContact CB-CB 4.3Å; M213-V227 HydrophobicContact CE-CB 4.01Å; M213-V227 HydrophobicContact CE-CG1 4.4Å; M213-V227 HydrophobicContact CE-CG2 3.69Å; M213-V227 PolarHBondContact N-O 3.13Å; M213-V227 PolarHBondContact O-N 2.93Å; M215-V227 HydrophobicContact CE-CG2 4.39Å; V225-V227 HydrophobicContact CG1-CG2 3.96Å; V227-F248 HydrophobicContact CG1-CE1 4.05Å; V227-F248 HydrophobicContact CG1-CZ 4.12Å; V227-I250 HydrophobicContact CG1-CB 4.16Å; V227-I250 HydrophobicContact CG1-CD1 3.69Å; V227-I250 HydrophobicContact CG1-CG1 3.65Å; V227-I250 HydrophobicContact CG1-CG2 3.53Å; V227-H253 HydrophobicContact CG2-CB 4.19Å; V227-G281 WeakPolarHBondContact CG2-O 3.36Å |
| 228 | E | 97.9 | Very high | 93.9 | Very high | 53 Ų | 53 | 41.5 Ų | 41.5 | 25% | 0.248 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 131.8 | -175.8 | -64.8 | 168.5 | -161.8 | 0 | 0 | 109.4 | T212 V226 R251 T252 R254 | T212-E228 HydrophobicContact CG2-CG 4.11Å; V226-E228 HydrophobicContact CG1-CG 4.43Å; E228-R251 PolarHBondContact O-N 2.88Å; E228-T252 HydrophobicContact CB-CG2 3.8Å; E228-T252 HydrophobicContact CG-CG2 4.34Å; E228-T252 PolarHBondContact N-O 3.24Å; E228-T252 PolarHBondContact O-N 3.02Å; E228-T252 WeakPolarHBondContact OE2-CG2 3.36Å; E228-R254 IonicContact OE1-CZ 2.98Å; E228-R254 IonicContact OE1-NE 2.75Å; E228-R254 PolarHBondContact OE1-NE 3.28Å; E228-R254 IonicContact OE1-NH2 2.72Å; E228-R254 PolarHBondContact OE1-NH2 2.93Å; E228-R254 IonicContact OE2-CZ 2.86Å; E228-R254 IonicContact OE2-NE 3.2Å; E228-R254 IonicContact OE2-NH2 2.71Å; E228-R254 PolarHBondContact OE2-NH2 3.41Å |
| 229 | G | 97.4 | Very high | 93.8 | Very high | 3 Ų | 3 | 44.9 Ų | 44.9 | 3% | 0.031 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.2 | -178 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | E209 A211 L249 | E209-G229 VanDerWaalsContact O-O 3.14Å; A211-G229 PolarHBondContact N-O 2.94Å; A211-G229 PolarHBondContact O-N 2.89Å; A211-G229 VanDerWaalsContact O-O 3.06Å; G229-L249 CarbonylContact C-O 3.53Å; G229-L249 WeakPolarHBondContact CA-O 3.41Å |
| 230 | R | 97.6 | Very high | 94.2 | Very high | 100 Ų | 100 | 43 Ų | 43 | 38% | 0.377 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 130.9 | 166 | 176.8 | 175.2 | 177.9 | -170.9 | -1.5 | 108.4 | D207 S208 F248 L249 | D207-R230 VanDerWaalsContact CG-NH2 3.26Å; D207-R230 IonicContact OD1-CZ 3.58Å; D207-R230 IonicContact OD1-NE 2.81Å; D207-R230 PolarHBondContact OD1-NE 3.03Å; D207-R230 IonicContact OD1-NH2 3.36Å; D207-R230 PolarHBondContact OD1-NH2 3.33Å; D207-R230 IonicContact OD2-CZ 3.42Å; D207-R230 VanDerWaalsContact OD2-CZ 3.24Å; D207-R230 IonicContact OD2-NE 3.2Å; D207-R230 PolarHBondContact OD2-NE 3.2Å; D207-R230 IonicContact OD2-NH2 2.7Å; D207-R230 PolarHBondContact OD2-NH2 2.94Å; S208-R230 WeakPolarHBondContact O-CA 3.34Å; R230-F248 WeakPolarHBondContact O-CD2 3.3Å; R230-L249 PolarHBondContact N-O 3.25Å; R230-L249 PolarHBondContact O-N 2.92Å |
| 231 | L | 98.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 117.4 | 172.3 | -174 | 74.1 | 0 | 0 | 0 | 109 | L192 S208 A211 L233 W246 I247 F248 | L192-L231 HydrophobicContact CD2-CB 4.4Å; L192-L231 HydrophobicContact CD2-CD2 3.51Å; S208-L231 PolarHBondContact N-O 3.4Å; S208-L231 PolarHBondContact O-N 2.79Å; A211-L231 HydrophobicContact CB-CB 3.44Å; A211-L231 VanDerWaalsContact CB-CB 3.44Å; L231-L233 HydrophobicContact CD1-CD2 4.05Å; L231-L233 HydrophobicContact CD2-CD1 3.9Å; L231-L233 HydrophobicContact CD2-CD2 3.97Å; L231-L233 HydrophobicContact CD2-CG 3.98Å; L231-L233 HydrophobicContact CG-CD1 4.44Å; L231-L233 HydrophobicContact CG-CD2 3.88Å; L231-L233 HydrophobicContact CG-CG 3.97Å; L231-W246 HydrophobicContact CD1-CD2 4.25Å; L231-W246 HydrophobicContact CD1-CZ2 3.86Å; L231-W246 HydrophobicContact CD2-CH2 4.38Å; L231-W246 HydrophobicContact CD2-CZ2 4.31Å; L231-I247 WeakPolarHBondContact CA-O 3.32Å; L231-F248 HydrophobicContact CB-CD2 4.09Å; L231-F248 HydrophobicContact CD1-CB 3.62Å; L231-F248 HydrophobicContact CD1-CD2 3.88Å; L231-F248 HydrophobicContact CD1-CG 4.03Å |
| 232 | T | 97.7 | Very high | 95.4 | Very high | 29 Ų | 29 | 38.9 Ų | 38.9 | 18% | 0.178 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 129.8 | 172.6 | -45.2 | 0 | 0 | 0 | 0 | 108.3 | T205 L206 D207 I247 | T205-T232 HydrophobicContact CG2-CG2 3.88Å; L206-T232 CarbonylContact O-C 3.5Å; L206-T232 WeakPolarHBondContact O-CA 3.49Å; D207-T232 HydrophobicContact CB-CG2 4.26Å; D207-T232 PolarHBondContact OD1-OG1 3.14Å; T232-I247 PolarHBondContact N-O 3.31Å; T232-I247 PolarHBondContact O-N 3.23Å |
| 233 | L | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 125.8 | -175.3 | -59 | 176 | 0 | 0 | 0 | 109.8 | I120 T205 L206 L231 F235 I243 S245 W246 | I120-L233 HydrophobicContact CD1-CD1 3.64Å; I120-L233 HydrophobicContact CG1-CD1 3.79Å; T205-L233 CarbonylContact C-O 3.5Å; T205-L233 VanDerWaalsContact CA-O 3.27Å; T205-L233 WeakPolarHBondContact CA-O 3.49Å; L206-L233 HydrophobicContact CB-CB 4.41Å; L206-L233 PolarHBondContact N-O 3.29Å; L206-L233 PolarHBondContact O-N 3.43Å; L231-L233 HydrophobicContact CD1-CD2 4.05Å; L231-L233 HydrophobicContact CD2-CD1 3.9Å; L231-L233 HydrophobicContact CD2-CD2 3.97Å; L231-L233 HydrophobicContact CD2-CG 3.98Å; L231-L233 HydrophobicContact CG-CD1 4.44Å; L231-L233 HydrophobicContact CG-CD2 3.88Å; L231-L233 HydrophobicContact CG-CG 3.97Å; L233-F235 HydrophobicContact CB-CD2 4.21Å; L233-F235 HydrophobicContact CB-CE2 3.65Å; L233-F235 HydrophobicContact CB-CZ 4.34Å; L233-F235 HydrophobicContact CD1-CE2 3.88Å; L233-F235 HydrophobicContact CD1-CZ 3.91Å; L233-F235 HydrophobicContact CG-CE2 4.44Å; L233-I243 HydrophobicContact CD2-CG2 4.34Å; L233-S245 CarbonylContact C-O 3.6Å; L233-S245 VanDerWaalsContact CA-O 3.3Å; L233-S245 WeakPolarHBondContact CA-O 3.41Å; L233-W246 HydrophobicContact CD2-CB 4.15Å; L233-W246 HydrophobicContact CD2-CD2 3.74Å; L233-W246 HydrophobicContact CD2-CE3 3.58Å; L233-W246 HydrophobicContact CD2-CG 4.02Å; L233-W246 HydrophobicContact CD2-CZ3 4.17Å |
| 234 | D | 97 | Very high | 95.8 | Very high | 41 Ų | 41 | 42 Ų | 42 | 22% | 0.219 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 121.3 | 166.7 | -65.2 | -41.4 | 0 | 0 | 0 | 109.3 | I203 T205 R244 S245 | I203-D234 HydrophobicContact CG2-CB 3.76Å; T205-D234 WeakPolarHBondContact CB-OD1 3.4Å; T205-D234 WeakPolarHBondContact CG2-OD1 3.25Å; T205-D234 PolarHBondContact OG1-OD1 3.18Å; D234-R244 PolarHBondContact O-N 3.42Å; D234-S245 PolarHBondContact N-O 2.9Å; D234-S245 PolarHBondContact O-N 3.35Å; D234-S245 WeakPolarHBondContact OD2-CB 3.1Å |
| 235 | F | 96.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 142.3 | 172.6 | -66.3 | -96 | 0 | 0 | 0 | 110.8 | P116 R119 I120 I203 L204 L206 L233 M241 R242 I243 | P116-F235 HydrophobicContact CB-CD2 3.79Å; P116-F235 HydrophobicContact CB-CE2 3.48Å; P116-F235 VanDerWaalsContact CB-CE2 3.48Å; P116-F235 HydrophobicContact CB-CG 4.49Å; P116-F235 HydrophobicContact CB-CZ 3.95Å; R119-F235 HydrophobicContact CB-CE1 3.86Å; R119-F235 HydrophobicContact CB-CZ 4.47Å; R119-F235 HydrophobicContact CG-CE1 4.34Å; I120-F235 HydrophobicContact CD1-CZ 4.38Å; I120-F235 HydrophobicContact CG1-CZ 4.21Å; I203-F235 WeakPolarHBondContact CA-O 3.32Å; L204-F235 HydrophobicContact CB-CB 4.45Å; L204-F235 PolarHBondContact N-O 3.27Å; L204-F235 PolarHBondContact O-N 2.86Å; L206-F235 HydrophobicContact CB-CE2 4.18Å; L233-F235 HydrophobicContact CB-CD2 4.21Å; L233-F235 HydrophobicContact CB-CE2 3.65Å; L233-F235 HydrophobicContact CB-CZ 4.34Å; L233-F235 HydrophobicContact CD1-CE2 3.88Å; L233-F235 HydrophobicContact CD1-CZ 3.91Å; L233-F235 HydrophobicContact CG-CE2 4.44Å; F235-M241 HydrophobicContact CB-SD 3.96Å; F235-M241 WeakPolarHBondContact CD1-O 3.27Å; F235-R242 CarbonylContact C-O 3.59Å; F235-R242 WeakPolarHBondContact CA-O 3.46Å; F235-I243 HydrophobicContact CD1-CG1 3.87Å; F235-I243 HydrophobicContact CE1-CD1 4.19Å; F235-I243 HydrophobicContact CE1-CG1 3.43Å; F235-I243 VanDerWaalsContact CE1-CG1 3.43Å; F235-I243 HydrophobicContact CZ-CD1 4.4Å; F235-I243 HydrophobicContact CZ-CG1 3.93Å |
| 236 | A | 94.8 | Very high | 95.9 | Very high | 16 Ų | 16 | 40.7 Ų | 40.7 | 13% | 0.132 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 127.3 | 163.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | E148 D238 M241 R242 | E148-A236 HydrophobicContact CG-CB 4.1Å; A236-D238 VanDerWaalsContact C-N 3.3Å; A236-D238 PolarHBondContact O-N 3.32Å; A236-M241 WeakPolarHBondContact O-CA 3.29Å; A236-R242 PolarHBondContact N-O 2.89Å |
| 237 | F | 89.4 | Confident | 95.9 | Very high | 96 Ų | 96 | 42.7 Ų | 42.7 | 42% | 0.421 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -83.4 | 74.7 | 179.8 | -165 | -94.3 | 0 | 0 | 0 | 110.7 | F199 P202 L204 M241 | F199-F237 AromaticContact CD2-CD2 3.82Å; F199-F237 HydrophobicContact CD2-CD2 3.82Å; F199-F237 HydrophobicContact CD2-CE2 4.1Å; F199-F237 HydrophobicContact CD2-CG 4.29Å; F199-F237 HydrophobicContact CE2-CB 3.88Å; F199-F237 AromaticContact CE2-CD1 3.81Å; F199-F237 HydrophobicContact CE2-CD1 3.81Å; F199-F237 AromaticContact CE2-CD2 3.36Å; F199-F237 HydrophobicContact CE2-CD2 3.36Å; F199-F237 HydrophobicContact CE2-CE1 4.17Å; F199-F237 AromaticContact CE2-CE2 3.78Å; F199-F237 HydrophobicContact CE2-CE2 3.78Å; F199-F237 AromaticContact CE2-CG 3.4Å; F199-F237 HydrophobicContact CE2-CG 3.4Å; F199-F237 HydrophobicContact CE2-CZ 4.16Å; F199-F237 AromaticContact CZ-CD1 3.93Å; F199-F237 HydrophobicContact CZ-CD1 3.93Å; F199-F237 HydrophobicContact CZ-CD2 4.18Å; F199-F237 HydrophobicContact CZ-CE1 4.04Å; F199-F237 HydrophobicContact CZ-CE2 4.3Å; F199-F237 HydrophobicContact CZ-CG 4.02Å; F199-F237 HydrophobicContact CZ-CZ 4.23Å; P202-F237 WeakPolarHBondContact O-CB 3.46Å; P202-F237 PolarHBondContact O-N 3.18Å; L204-F237 HydrophobicContact CB-CD2 4.18Å; F237-M241 HydrophobicContact CD2-CE 3.42Å; F237-M241 VanDerWaalsContact CD2-CE 3.42Å; F237-M241 HydrophobicContact CE2-CE 3.72Å; F237-M241 HydrophobicContact CG-CE 4.27Å |
| 238 | D | 89.6 | Confident | 95.9 | Very high | 69 Ų | 69 | 42.7 Ų | 42.7 | 37% | 0.369 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -136 | -174.9 | 176.3 | 71.7 | 6.8 | 0 | 0 | 0 | 111.6 | A236 L240 M241 | A236-D238 VanDerWaalsContact C-N 3.3Å; A236-D238 PolarHBondContact O-N 3.32Å; D238-L240 PolarHBondContact O-N 3.39Å; D238-L240 WeakPolarHBondContact OD1-CA 3.4Å; D238-L240 WeakPolarHBondContact OD1-CB 3.29Å; D238-L240 PolarHBondContact OD1-N 3Å; D238-M241 PolarHBondContact O-N 3.44Å; D238-M241 PolarHBondContact OD1-N 2.85Å |
| 239 | D | 88.9 | Confident | 95.9 | Very high | 161 Ų | 161 | 43.9 Ų | 43.9 | 86% | 0.861 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -16.3 | 179.7 | -63.9 | -40.9 | 0 | 0 | 0 | 113.8 | ||
| 240 | L | 92.4 | Very high | 96 | Very high | 98 Ų | 98 | 44.2 Ų | 44.2 | 51% | 0.513 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | -21.8 | -177.9 | -59.9 | 179.5 | 0 | 0 | 0 | 112.9 | R119 D238 R242 | R119-L240 PolarHBondContact NE-O 3.29Å; R119-L240 PolarHBondContact NH2-O 2.92Å; D238-L240 PolarHBondContact O-N 3.39Å; D238-L240 WeakPolarHBondContact OD1-CA 3.4Å; D238-L240 WeakPolarHBondContact OD1-CB 3.29Å; D238-L240 PolarHBondContact OD1-N 3Å; L240-R242 HydrophobicContact CB-CG 3.84Å; L240-R242 PolarHBondContact O-N 3.25Å |
| 241 | M | 93.6 | Very high | 95.9 | Very high | 11 Ų | 11 | 46.1 Ų | 46.1 | 5% | 0.054 | 22% | 0.224 | C | C | . | . | trans | 43.3 | 61.2 | -179.2 | -83.7 | -71.3 | -164.4 | 0 | 0 | 112 | G114 R119 L204 F235 A236 F237 D238 | G114-M241 VanDerWaalsContact CA-CE 3.5Å; R119-M241 HydrophobicContact CG-CB 3.9Å; R119-M241 PolarHBondContact NE-O 3.06Å; R119-M241 PolarHBondContact NH2-O 2.92Å; L204-M241 HydrophobicContact CD2-CE 3.67Å; L204-M241 HydrophobicContact CD2-SD 4.39Å; F235-M241 HydrophobicContact CB-SD 3.96Å; F235-M241 WeakPolarHBondContact CD1-O 3.27Å; A236-M241 WeakPolarHBondContact O-CA 3.29Å; F237-M241 HydrophobicContact CD2-CE 3.42Å; F237-M241 VanDerWaalsContact CD2-CE 3.42Å; F237-M241 HydrophobicContact CE2-CE 3.72Å; F237-M241 HydrophobicContact CG-CE 4.27Å; D238-M241 PolarHBondContact O-N 3.44Å; D238-M241 PolarHBondContact OD1-N 2.85Å | ||
| 242 | R | 96.6 | Very high | 95.8 | Very high | 30 Ų | 30 | 49.1 Ų | 49.1 | 11% | 0.113 | 24% | 0.243 | C | C | . | . | trans | -93.6 | 147.7 | -179.3 | -60.6 | -170.7 | -61.6 | 172.5 | 2.6 | 111.6 | T144 E148 D149 F235 A236 L240 R244 | T144-R242 VanDerWaalsContact O-CD 3.32Å; T144-R242 WeakPolarHBondContact O-CD 3.33Å; E148-R242 HydrophobicContact CG-CB 4.13Å; E148-R242 IonicContact OE1-CZ 3.42Å; E148-R242 IonicContact OE1-NE 2.85Å; E148-R242 PolarHBondContact OE1-NE 3.28Å; E148-R242 IonicContact OE1-NH2 2.78Å; E148-R242 PolarHBondContact OE1-NH2 3.26Å; E148-R242 IonicContact OE2-CZ 3.75Å; E148-R242 IonicContact OE2-NH2 3.23Å; E148-R242 PolarHBondContact OE2-NH2 3.11Å; D149-R242 IonicContact OD2-NH2 2.6Å; F235-R242 CarbonylContact C-O 3.59Å; F235-R242 WeakPolarHBondContact CA-O 3.46Å; A236-R242 PolarHBondContact N-O 2.89Å; L240-R242 HydrophobicContact CB-CG 3.84Å; L240-R242 PolarHBondContact O-N 3.25Å; R242-R244 PolarHBondContact O-N 3.37Å | ||
| 243 | I | 98.1 | Very high | 95.8 | Very high | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.015 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 119.5 | -178.4 | -57.1 | 170.3 | 0 | 0 | 0 | 109.2 | I120 F146 F147 E148 A151 L233 F235 S245 W246 | I120-I243 HydrophobicContact CD1-CD1 3.78Å; F146-I243 WeakPolarHBondContact O-CB 3.36Å; F146-I243 WeakPolarHBondContact O-CG1 3.48Å; F146-I243 PolarHBondContact O-N 2.92Å; F147-I243 VanDerWaalsContact CA-O 3.29Å; F147-I243 WeakPolarHBondContact CA-O 3.44Å; F147-I243 HydrophobicContact CD1-CB 3.82Å; F147-I243 HydrophobicContact CD1-CG2 3.98Å; F147-I243 HydrophobicContact CE1-CB 4.01Å; F147-I243 HydrophobicContact CE1-CD1 4.29Å; F147-I243 HydrophobicContact CE1-CG2 3.89Å; F147-I243 HydrophobicContact CG-CB 4.41Å; F147-I243 HydrophobicContact CZ-CD1 4.27Å; E148-I243 PolarHBondContact N-O 3.13Å; A151-I243 VanDerWaalsContact CB-O 3.31Å; A151-I243 WeakPolarHBondContact CB-O 3.39Å; L233-I243 HydrophobicContact CD2-CG2 4.34Å; F235-I243 HydrophobicContact CD1-CG1 3.87Å; F235-I243 HydrophobicContact CE1-CD1 4.19Å; F235-I243 HydrophobicContact CE1-CG1 3.43Å; F235-I243 VanDerWaalsContact CE1-CG1 3.43Å; F235-I243 HydrophobicContact CZ-CD1 4.4Å; F235-I243 HydrophobicContact CZ-CG1 3.93Å; I243-S245 VanDerWaalsContact CG2-O 3.3Å; I243-S245 WeakPolarHBondContact CG2-O 3.31Å; I243-W246 HydrophobicContact CD1-CE3 3.87Å; I243-W246 HydrophobicContact CD1-CZ3 4.01Å; I243-W246 HydrophobicContact CG2-CB 4.12Å; I243-W246 HydrophobicContact CG2-CE3 4.45Å |
| 244 | R | 97.5 | Very high | 95.7 | Very high | 103 Ų | 103 | 56.8 Ų | 56.8 | 39% | 0.389 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | -33.7 | 177.1 | -170.5 | 170.2 | -177.1 | -126.7 | -2.9 | 112.5 | E148 D150 A151 T152 D234 R242 | E148-R244 HydrophobicContact CB-CB 4.25Å; E148-R244 HydrophobicContact CB-CG 4.32Å; E148-R244 HydrophobicContact CG-CB 4.14Å; E148-R244 HydrophobicContact CG-CG 4.44Å; D150-R244 WeakPolarHBondContact OD1-CG 3.29Å; D150-R244 IonicContact OD1-NE 2.72Å; D150-R244 PolarHBondContact OD1-NE 3.44Å; D150-R244 IonicContact OD2-CZ 3.24Å; D150-R244 VanDerWaalsContact OD2-CZ 3.26Å; D150-R244 IonicContact OD2-NE 2.65Å; D150-R244 PolarHBondContact OD2-NE 3.33Å; D150-R244 IonicContact OD2-NH2 2.82Å; D150-R244 PolarHBondContact OD2-NH2 3.49Å; A151-R244 VanDerWaalsContact CA-O 3.26Å; A151-R244 WeakPolarHBondContact CA-O 3.47Å; T152-R244 PolarHBondContact N-O 3.42Å; D234-R244 PolarHBondContact O-N 3.42Å; R242-R244 PolarHBondContact O-N 3.37Å |
| 245 | S | 98.2 | Very high | 95.7 | Very high | 17 Ų | 17 | 56.9 Ų | 56.9 | 12% | 0.119 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 130.7 | 171.6 | -167.6 | 0 | 0 | 0 | 0 | 109.5 | L233 D234 I243 | L233-S245 CarbonylContact C-O 3.6Å; L233-S245 VanDerWaalsContact CA-O 3.3Å; L233-S245 WeakPolarHBondContact CA-O 3.41Å; D234-S245 PolarHBondContact N-O 2.9Å; D234-S245 PolarHBondContact O-N 3.35Å; D234-S245 WeakPolarHBondContact OD2-CB 3.1Å; I243-S245 VanDerWaalsContact CG2-O 3.3Å; I243-S245 WeakPolarHBondContact CG2-O 3.31Å |
| 246 | W | 98.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 114.7 | 170.6 | 176.2 | -62.9 | 0 | 0 | 0 | 108.2 | I120 M123 F147 T152 L153 T154 Y190 L231 L233 I243 | I120-W246 HydrophobicContact CD1-CZ3 4.07Å; M123-W246 HydrophobicContact CE-CH2 3.82Å; M123-W246 HydrophobicContact CE-CZ3 3.91Å; M123-W246 HydrophobicContact SD-CH2 4.27Å; M123-W246 HydrophobicContact SD-CZ3 3.81Å; F147-W246 HydrophobicContact CE1-CB 4.25Å; F147-W246 AromaticContact CE1-CE3 3.96Å; F147-W246 HydrophobicContact CE1-CE3 3.96Å; F147-W246 AromaticContact CZ-CE3 3.84Å; F147-W246 HydrophobicContact CZ-CE3 3.84Å; F147-W246 HydrophobicContact CZ-CZ3 4.31Å; T152-W246 PolarHBondContact O-N 2.83Å; L153-W246 CarbonylContact C-O 3.57Å; L153-W246 WeakPolarHBondContact CA-O 3.46Å; L153-W246 HydrophobicContact CB-CB 4.32Å; L153-W246 HydrophobicContact CD1-CB 4.47Å; L153-W246 HydrophobicContact CD1-CD2 4.42Å; L153-W246 HydrophobicContact CD1-CG 4.07Å; L153-W246 HydrophobicContact CG-CB 4.15Å; L153-W246 HydrophobicContact CG-CG 3.95Å; T154-W246 PolarHBondContact N-O 2.82Å; Y190-W246 HydrophobicContact CD1-CH2 4.06Å; Y190-W246 AromaticContact CD1-CZ2 3.89Å; Y190-W246 HydrophobicContact CD1-CZ2 3.89Å; Y190-W246 AromaticContact CD2-CH2 4Å; Y190-W246 HydrophobicContact CD2-CH2 4Å; Y190-W246 HydrophobicContact CD2-CZ2 4.5Å; Y190-W246 HydrophobicContact CE1-CH2 4Å; Y190-W246 AromaticContact CE1-CZ2 3.54Å; Y190-W246 HydrophobicContact CE1-CZ2 3.54Å; Y190-W246 AromaticContact CE2-CH2 3.94Å; Y190-W246 HydrophobicContact CE2-CH2 3.94Å; Y190-W246 HydrophobicContact CE2-CZ2 4.2Å; Y190-W246 HydrophobicContact CG-CH2 4.07Å; Y190-W246 HydrophobicContact CG-CZ2 4.37Å; Y190-W246 AromaticContact CZ-CH2 3.94Å; Y190-W246 AromaticContact CZ-CZ2 3.71Å; L231-W246 HydrophobicContact CD1-CD2 4.25Å; L231-W246 HydrophobicContact CD1-CZ2 3.86Å; L231-W246 HydrophobicContact CD2-CH2 4.38Å; L231-W246 HydrophobicContact CD2-CZ2 4.31Å; L233-W246 HydrophobicContact CD2-CB 4.15Å; L233-W246 HydrophobicContact CD2-CD2 3.74Å; L233-W246 HydrophobicContact CD2-CE3 3.58Å; L233-W246 HydrophobicContact CD2-CG 4.02Å; L233-W246 HydrophobicContact CD2-CZ3 4.17Å; I243-W246 HydrophobicContact CD1-CE3 3.87Å; I243-W246 HydrophobicContact CD1-CZ3 4.01Å; I243-W246 HydrophobicContact CG2-CB 4.12Å; I243-W246 HydrophobicContact CG2-CE3 4.45Å |
| 247 | I | 98.4 | Very high | 95.5 | Very high | 66 Ų | 66 | 63.5 Ų | 63.5 | 34% | 0.338 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 106.6 | 178.5 | -52.8 | 178.4 | 0 | 0 | 0 | 109 | T154 L231 T232 | T154-I247 HydrophobicContact CG2-CG2 4.41Å; L231-I247 WeakPolarHBondContact CA-O 3.32Å; T232-I247 PolarHBondContact N-O 3.31Å; T232-I247 PolarHBondContact O-N 3.23Å |
| 248 | F | 98.4 | Very high | 95.5 | Very high | 1 Ų | 1 | 63.7 Ų | 63.7 | 0% | 0.004 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 110.4 | 174.8 | -170.2 | -140.8 | 0 | 0 | 0 | 110.6 | T154 L155 A156 A211 M213 V227 R230 L231 I250 | T154-F248 PolarHBondContact O-N 2.74Å; L155-F248 HydrophobicContact CD1-CB 3.97Å; L155-F248 HydrophobicContact CD1-CD1 3.61Å; L155-F248 HydrophobicContact CD1-CG 4.21Å; A156-F248 PolarHBondContact N-O 2.87Å; A211-F248 HydrophobicContact CB-CE2 4.29Å; M213-F248 HydrophobicContact CB-CE1 3.82Å; M213-F248 HydrophobicContact CB-CZ 3.89Å; M213-F248 HydrophobicContact CE-CE1 4.35Å; M213-F248 HydrophobicContact SD-CE1 4.23Å; V227-F248 HydrophobicContact CG1-CE1 4.05Å; V227-F248 HydrophobicContact CG1-CZ 4.12Å; R230-F248 WeakPolarHBondContact O-CD2 3.3Å; L231-F248 HydrophobicContact CB-CD2 4.09Å; L231-F248 HydrophobicContact CD1-CB 3.62Å; L231-F248 HydrophobicContact CD1-CD2 3.88Å; L231-F248 HydrophobicContact CD1-CG 4.03Å; F248-I250 HydrophobicContact CD1-CG1 3.95Å; F248-I250 HydrophobicContact CE1-CD1 4.28Å; F248-I250 HydrophobicContact CE1-CG1 3.73Å; F248-I250 HydrophobicContact CZ-CG1 4.23Å |
| 249 | L | 97.7 | Very high | 95.6 | Very high | 77 Ų | 77 | 71.2 Ų | 71.2 | 40% | 0.403 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 100.4 | 174.8 | 176.3 | 62.6 | 0 | 0 | 0 | 109.2 | A156 G229 R230 R251 | A156-L249 HydrophobicContact CB-CD1 3.75Å; A156-L249 WeakPolarHBondContact O-CA 3.48Å; G229-L249 CarbonylContact C-O 3.53Å; G229-L249 WeakPolarHBondContact CA-O 3.41Å; R230-L249 PolarHBondContact N-O 3.25Å; R230-L249 PolarHBondContact O-N 2.92Å; L249-R251 PolarHBondContact O-N 3.22Å |
| 250 | I | 97.9 | Very high | 95.6 | Very high | 11 Ų | 11 | 67.8 Ų | 67.8 | 6% | 0.056 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 125.5 | 176.8 | -60.5 | 175.1 | 0 | 0 | 0 | 109 | L155 A156 F157 V227 F248 Y280 M282 | L155-I250 HydrophobicContact CD1-CD1 3.95Å; L155-I250 HydrophobicContact CD1-CG1 4.22Å; L155-I250 HydrophobicContact CG-CD1 4.45Å; A156-I250 PolarHBondContact O-N 3.21Å; F157-I250 HydrophobicContact CB-CB 4.13Å; V227-I250 HydrophobicContact CG1-CB 4.16Å; V227-I250 HydrophobicContact CG1-CD1 3.69Å; V227-I250 HydrophobicContact CG1-CG1 3.65Å; V227-I250 HydrophobicContact CG1-CG2 3.53Å; F248-I250 HydrophobicContact CD1-CG1 3.95Å; F248-I250 HydrophobicContact CE1-CD1 4.28Å; F248-I250 HydrophobicContact CE1-CG1 3.73Å; F248-I250 HydrophobicContact CZ-CG1 4.23Å; I250-Y280 WeakPolarHBondContact CD1-O 3.36Å; I250-M282 HydrophobicContact CD1-CG 4Å; I250-M282 HydrophobicContact CD1-SD 3.96Å |
| 251 | R | 96.2 | Very high | 95.4 | Very high | 139 Ų | 139 | 64.8 Ų | 64.8 | 53% | 0.525 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | -42.8 | 175.5 | -70.4 | 169.9 | 161.4 | -179.7 | -15.6 | 111.2 | E209 E228 L249 | E209-R251 PolarHBondContact O-NH1 2.91Å; E209-R251 IonicContact OE1-CZ 3.97Å; E209-R251 IonicContact OE1-NH1 3.02Å; E209-R251 PolarHBondContact OE1-NH1 3.42Å; E209-R251 IonicContact OE1-NH2 3.94Å; E209-R251 PolarHBondContact OE1-NH2 3.11Å; E228-R251 PolarHBondContact O-N 2.88Å; L249-R251 PolarHBondContact O-N 3.22Å |
| 252 | T | 96.3 | Very high | 95 | Very high | 63 Ų | 63 | 69.2 Ų | 69.2 | 39% | 0.387 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 171.4 | 177.5 | -170.3 | 0 | 0 | 0 | 0 | 111.7 | E228 | E228-T252 HydrophobicContact CB-CG2 3.8Å; E228-T252 HydrophobicContact CG-CG2 4.34Å; E228-T252 PolarHBondContact N-O 3.24Å; E228-T252 PolarHBondContact O-N 3.02Å; E228-T252 WeakPolarHBondContact OE2-CG2 3.36Å |
| 253 | H | 96.9 | Very high | 94.5 | Very high | 48 Ų | 48 | 70.4 Ų | 70.4 | 22% | 0.222 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 154.7 | 174.4 | 64.4 | -60.8 | 0 | 0 | 0 | 111.2 | V226 V227 T278 G281 | V226-H253 CarbonylContact O-C 3.57Å; V226-H253 VanDerWaalsContact O-CA 3.26Å; V226-H253 WeakPolarHBondContact O-CA 3.49Å; V227-H253 HydrophobicContact CG2-CB 4.19Å; H253-T278 PolarHBondContact CD2-OG1 2.87Å; H253-T278 VanDerWaalsContact CD2-OG1 3.3Å; H253-G281 PolarHBondContact CD2-N 3.29Å; H253-G281 VanDerWaalsContact CG-CA 3.5Å; H253-G281 PolarHBondContact NE2-N 2.81Å |
| 254 | R | 96.9 | Very high | 93.8 | Very high | 142 Ų | 142 | 74.1 Ų | 74.1 | 54% | 0.536 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 140 | 176.7 | -48.9 | -176.7 | -156.2 | -120.5 | -3.7 | 108.9 | V225 V226 E228 | V225-R254 WeakPolarHBondContact CA-O 3.41Å; V226-R254 PolarHBondContact N-O 2.86Å; V226-R254 PolarHBondContact O-N 2.96Å; E228-R254 IonicContact OE1-CZ 2.98Å; E228-R254 IonicContact OE1-NE 2.75Å; E228-R254 PolarHBondContact OE1-NE 3.28Å; E228-R254 IonicContact OE1-NH2 2.72Å; E228-R254 PolarHBondContact OE1-NH2 2.93Å; E228-R254 IonicContact OE2-CZ 2.86Å; E228-R254 IonicContact OE2-NE 3.2Å; E228-R254 IonicContact OE2-NH2 2.71Å; E228-R254 PolarHBondContact OE2-NH2 3.41Å |
| 255 | E | 96.3 | Very high | 93.2 | Very high | 44 Ų | 44 | 78.1 Ų | 78.1 | 21% | 0.206 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 123 | 174.9 | -63 | -169.8 | -169.6 | 0 | 0 | 108.6 | V223 V225 N276 I277 T278 | V223-E255 HydrophobicContact CG1-CB 3.89Å; V225-E255 HydrophobicContact CG1-CG 4.29Å; V225-E255 HydrophobicContact CG2-CG 4.26Å; E255-N276 VanDerWaalsContact OE2-CA 3.23Å; E255-N276 WeakPolarHBondContact OE2-CA 3.36Å; E255-I277 PolarHBondContact OE1-N 2.64Å; E255-I277 WeakPolarHBondContact OE2-CG1 3.26Å; E255-I277 PolarHBondContact OE2-N 3.16Å; E255-T278 WeakPolarHBondContact OE1-CA 3.12Å; E255-T278 VanDerWaalsContact OE1-CB 3.25Å; E255-T278 WeakPolarHBondContact OE1-CB 3.38Å; E255-T278 WeakPolarHBondContact OE1-CG2 3.33Å; E255-T278 PolarHBondContact OE1-N 2.73Å; E255-T278 PolarHBondContact OE1-OG1 3.3Å |
| 256 | M | 94.8 | Very high | 92.8 | Very high | 97 Ų | 97 | 80.7 Ų | 80.7 | 48% | 0.478 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 117 | -173.9 | -58.1 | -172.9 | -59.7 | 0 | 0 | 110.2 | V223 T224 V226 | V223-M256 WeakPolarHBondContact CA-O 3.32Å; T224-M256 HydrophobicContact CG2-CE 3.8Å; T224-M256 PolarHBondContact N-O 3.11Å; T224-M256 PolarHBondContact O-N 2.62Å; V226-M256 HydrophobicContact CG2-CE 3.68Å |
| 257 | I | 92.9 | Very high | 92.4 | Very high | 57 Ų | 57 | 85.6 Ų | 85.6 | 29% | 0.292 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 140.9 | -179.1 | -52.2 | -179.3 | 0 | 0 | 0 | 109.4 | V223 R259 M261 L273 | V223-I257 HydrophobicContact CG2-CG1 4.24Å; I257-R259 PolarHBondContact O-N 2.96Å; I257-M261 HydrophobicContact CG2-CB 4.17Å; I257-M261 HydrophobicContact CG2-CG 4.43Å; I257-L273 HydrophobicContact CD1-CB 4.01Å; I257-L273 HydrophobicContact CD1-CD2 4.38Å; I257-L273 WeakPolarHBondContact CD1-O 3.22Å; I257-L273 HydrophobicContact CG2-CD2 4.32Å |
| 258 | M | 89.3 | Confident | 92.1 | Very high | 101 Ų | 101 | 85.5 Ų | 85.5 | 50% | 0.498 | 44% | 0.44 | S | S | . | . | trans | -63 | 130.1 | 176.1 | -65.3 | -157.1 | -63.8 | 0 | 0 | 111.7 | P222 S260 M261 | P222-M258 HydrophobicContact CB-CE 3.89Å; P222-M258 HydrophobicContact CG-CE 3.64Å; M258-S260 PolarHBondContact O-N 2.67Å; M258-S260 VanDerWaalsContact O-N 3.1Å; M258-M261 VanDerWaalsContact O-CB 3.26Å; M258-M261 WeakPolarHBondContact O-CB 3.46Å; M258-M261 PolarHBondContact O-N 2.75Å | ||
| 259 | R | 91.6 | Very high | 91.7 | Very high | 226 Ų | 226 | 87.3 Ų | 87.3 | 85% | 0.853 | 45% | 0.448 | S | S | * | . | G | 310 helix | trans | -57 | -29.7 | -178.5 | -64.2 | -178.4 | -173.8 | 144.5 | 2.4 | 114 | I257 M261 L262 | I257-R259 PolarHBondContact O-N 2.96Å; R259-M261 PolarHBondContact O-N 3.33Å; R259-L262 WeakPolarHBondContact O-CB 3.43Å; R259-L262 PolarHBondContact O-N 3.16Å |
| 260 | S | 89.7 | Confident | 91.3 | Very high | 90 Ų | 90 | 87 Ų | 87 | 63% | 0.629 | 45% | 0.447 | S | S | * | . | G | 310 helix | trans | -59.9 | -32.1 | 175.3 | 45 | 0 | 0 | 0 | 0 | 113 | M258 L262 G263 | M258-S260 PolarHBondContact O-N 2.67Å; M258-S260 VanDerWaalsContact O-N 3.1Å; S260-L262 VanDerWaalsContact C-N 3.28Å; S260-L262 PolarHBondContact O-N 3.36Å; S260-G263 PolarHBondContact O-N 3.14Å |
| 261 | M | 87.2 | Confident | 90.9 | Very high | 34 Ų | 34 | 90.5 Ų | 90.5 | 17% | 0.167 | 47% | 0.465 | C | S | . | . | G | 310 helix | trans | -70.9 | -24.4 | -179.4 | -166.4 | 144.1 | -84.9 | 0 | 0 | 112.7 | I221 P222 I257 M258 R259 G263 I264 F269 L273 | I221-M261 HydrophobicContact CG2-SD 3.86Å; P222-M261 HydrophobicContact CG-CE 3.74Å; P222-M261 HydrophobicContact CG-SD 3.93Å; I257-M261 HydrophobicContact CG2-CB 4.17Å; I257-M261 HydrophobicContact CG2-CG 4.43Å; M258-M261 VanDerWaalsContact O-CB 3.26Å; M258-M261 WeakPolarHBondContact O-CB 3.46Å; M258-M261 PolarHBondContact O-N 2.75Å; R259-M261 PolarHBondContact O-N 3.33Å; M261-G263 PolarHBondContact O-N 2.93Å; M261-I264 PolarHBondContact O-N 3.23Å; M261-F269 HydrophobicContact CE-CZ 4.17Å; M261-F269 HydrophobicContact CG-CE1 3.55Å; M261-F269 HydrophobicContact CG-CZ 3.59Å; M261-F269 HydrophobicContact SD-CE1 4.35Å; M261-F269 HydrophobicContact SD-CZ 3.76Å; M261-L273 HydrophobicContact CG-CD1 3.89Å; M261-L273 HydrophobicContact CG-CD2 3.97Å; M261-L273 HydrophobicContact SD-CD2 4.01Å |
| 262 | L | 86.7 | Confident | 90.6 | Very high | 104 Ų | 104 | 88.9 Ų | 88.9 | 55% | 0.545 | 46% | 0.464 | S | S | . | . | G | 310 helix | trans | -75.4 | -7.5 | 175.2 | -55.2 | 176.8 | 0 | 0 | 0 | 113.2 | R259 S260 I264 L273 | R259-L262 WeakPolarHBondContact O-CB 3.43Å; R259-L262 PolarHBondContact O-N 3.16Å; S260-L262 VanDerWaalsContact C-N 3.28Å; S260-L262 PolarHBondContact O-N 3.36Å; L262-I264 VanDerWaalsContact C-N 3.27Å; L262-L273 HydrophobicContact CD2-CD1 3.97Å |
| 263 | G | 85.8 | Confident | 90.2 | Very high | 56 Ų | 56 | 86.6 Ų | 86.6 | 58% | 0.577 | 45% | 0.449 | S | S | * | . | G | 310 helix | trans | -76.8 | -10.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | S260 M261 Q265 | S260-G263 PolarHBondContact O-N 3.14Å; M261-G263 PolarHBondContact O-N 2.93Å; G263-Q265 PolarHBondContact O-N 2.98Å |
| 264 | I | 83.7 | Confident | 89.8 | Confident | 80 Ų | 80 | 88.2 Ų | 88.2 | 41% | 0.41 | 47% | 0.466 | S | S | . | . | trans | -81.6 | 104.5 | -179.6 | -61.4 | 172.6 | 0 | 0 | 0 | 108.6 | M261 L262 D266 F269 | M261-I264 PolarHBondContact O-N 3.23Å; L262-I264 VanDerWaalsContact C-N 3.27Å; I264-D266 HydrophobicContact CG2-CB 4.23Å; I264-D266 PolarHBondContact O-N 2.95Å; I264-F269 HydrophobicContact CB-CD1 3.96Å; I264-F269 HydrophobicContact CB-CE1 4.1Å; I264-F269 HydrophobicContact CD1-CD1 4.28Å; I264-F269 HydrophobicContact CD1-CE1 3.69Å; I264-F269 HydrophobicContact CD1-CZ 4.23Å; I264-F269 HydrophobicContact CG1-CE1 4.44Å; I264-F269 HydrophobicContact CG2-CD1 3.77Å; I264-F269 HydrophobicContact CG2-CE1 4.27Å; I264-F269 HydrophobicContact CG2-CG 4.46Å | ||
| 265 | Q | 85 | Confident | 89.7 | Confident | 187 Ų | 187 | 86.7 Ų | 86.7 | 87% | 0.874 | 46% | 0.463 | S | S | * | . | trans | -80.7 | 45.9 | -178.4 | -62.2 | -174.3 | 45 | 0 | 0 | 113.1 | G263 | G263-Q265 PolarHBondContact O-N 2.98Š| ||
| 266 | D | 89.3 | Confident | 89.5 | Confident | 72 Ų | 72 | 89.6 Ų | 89.6 | 39% | 0.385 | 48% | 0.48 | S | S | . | . | trans | -102.7 | 112.6 | 167.4 | 171.3 | 20.9 | 0 | 0 | 0 | 109.7 | I264 A268 F269 L270 | I264-D266 HydrophobicContact CG2-CB 4.23Å; I264-D266 PolarHBondContact O-N 2.95Å; D266-A268 PolarHBondContact O-N 2.76Å; D266-A268 WeakPolarHBondContact OD1-CB 3.34Å; D266-A268 PolarHBondContact OD1-N 2.85Å; D266-F269 HydrophobicContact CB-CB 3.93Å; D266-F269 PolarHBondContact O-N 2.84Å; D266-F269 WeakPolarHBondContact OD2-CB 3.24Å; D266-F269 PolarHBondContact OD2-N 3.45Å; D266-L270 WeakPolarHBondContact O-CG 3.3Å; D266-L270 PolarHBondContact O-N 3.14Å | ||
| 267 | P | 89.9 | Confident | 89.4 | Confident | 102 Ų | 102 | 87.6 Ų | 87.6 | 66% | 0.662 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -56.7 | -32 | 177.1 | -25.8 | 35.4 | 0 | 0 | 0 | 114.5 | D271 | P267-D271 WeakPolarHBondContact O-CB 3.44Å; P267-D271 PolarHBondContact O-N 3.32Å |
| 268 | A | 91.1 | Very high | 89.5 | Confident | 65 Ų | 65 | 85 Ų | 85 | 54% | 0.537 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -71.3 | -42 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | D266 D271 Q272 | D266-A268 PolarHBondContact O-N 2.76Å; D266-A268 WeakPolarHBondContact OD1-CB 3.34Å; D266-A268 PolarHBondContact OD1-N 2.85Å; A268-D271 PolarHBondContact O-N 3.02Å; A268-Q272 PolarHBondContact O-N 3.33Å; A268-Q272 VanDerWaalsContact O-N 3.11Å |
| 269 | F | 90.4 | Very high | 89.7 | Confident | 38 Ų | 38 | 86 Ų | 86 | 17% | 0.167 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -64.4 | -41.2 | 171.9 | -176 | -111.3 | 0 | 0 | 0 | 112.6 | M261 I264 D266 D271 Q272 L273 | M261-F269 HydrophobicContact CE-CZ 4.17Å; M261-F269 HydrophobicContact CG-CE1 3.55Å; M261-F269 HydrophobicContact CG-CZ 3.59Å; M261-F269 HydrophobicContact SD-CE1 4.35Å; M261-F269 HydrophobicContact SD-CZ 3.76Å; I264-F269 HydrophobicContact CB-CD1 3.96Å; I264-F269 HydrophobicContact CB-CE1 4.1Å; I264-F269 HydrophobicContact CD1-CD1 4.28Å; I264-F269 HydrophobicContact CD1-CE1 3.69Å; I264-F269 HydrophobicContact CD1-CZ 4.23Å; I264-F269 HydrophobicContact CG1-CE1 4.44Å; I264-F269 HydrophobicContact CG2-CD1 3.77Å; I264-F269 HydrophobicContact CG2-CE1 4.27Å; I264-F269 HydrophobicContact CG2-CG 4.46Å; D266-F269 HydrophobicContact CB-CB 3.93Å; D266-F269 PolarHBondContact O-N 2.84Å; D266-F269 WeakPolarHBondContact OD2-CB 3.24Å; D266-F269 PolarHBondContact OD2-N 3.45Å; F269-D271 PolarHBondContact O-N 3.01Å; F269-Q272 CarbonylContact O-C 3.56Å; F269-Q272 WeakPolarHBondContact O-CA 3.45Å; F269-Q272 VanDerWaalsContact O-CB 3.32Å; F269-Q272 WeakPolarHBondContact O-CB 3.48Å; F269-Q272 PolarHBondContact O-N 3.48Å; F269-Q272 VanDerWaalsContact O-N 3.07Å; F269-L273 HydrophobicContact CD1-CD1 4.15Å; F269-L273 HydrophobicContact CD1-CG 4.27Å; F269-L273 HydrophobicContact CE1-CD1 3.76Å; F269-L273 HydrophobicContact CE1-CD2 4.07Å; F269-L273 HydrophobicContact CE1-CG 3.99Å; F269-L273 HydrophobicContact CE2-CD2 4.3Å; F269-L273 HydrophobicContact CZ-CD1 4.37Å; F269-L273 HydrophobicContact CZ-CD2 3.83Å; F269-L273 HydrophobicContact CZ-CG 4.22Å; F269-L273 WeakPolarHBondContact O-CG 3.49Å; F269-L273 PolarHBondContact O-N 2.86Å |
| 270 | L | 88.9 | Confident | 89.9 | Confident | 71 Ų | 71 | 78.2 Ų | 78.2 | 37% | 0.372 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -64.1 | -38.4 | 176.8 | -67.6 | 176.4 | 0 | 0 | 0 | 112.6 | D266 Q272 L273 S274 | D266-L270 WeakPolarHBondContact O-CG 3.3Å; D266-L270 PolarHBondContact O-N 3.14Å; L270-Q272 VanDerWaalsContact C-N 3.3Å; L270-Q272 PolarHBondContact O-N 3.25Å; L270-L273 HydrophobicContact CD2-CD1 4.09Å; L270-L273 PolarHBondContact O-N 2.76Å; L270-S274 PolarHBondContact O-N 2.97Å; L270-S274 VanDerWaalsContact O-N 3.08Å |
| 271 | D | 90.6 | Very high | 90.1 | Very high | 84 Ų | 84 | 74 Ų | 74 | 45% | 0.449 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.4 | -36 | 170.4 | 169.2 | 57.4 | 0 | 0 | 0 | 111.8 | P267 A268 F269 S274 K275 | P267-D271 WeakPolarHBondContact O-CB 3.44Å; P267-D271 PolarHBondContact O-N 3.32Å; A268-D271 PolarHBondContact O-N 3.02Å; F269-D271 PolarHBondContact O-N 3.01Å; D271-S274 PolarHBondContact O-N 3.49Å; D271-S274 PolarHBondContact O-OG 2.72Å; D271-K275 WeakPolarHBondContact O-CD 3.29Å; D271-K275 VanDerWaalsContact O-CE 3.23Å; D271-K275 WeakPolarHBondContact O-CE 3.39Å; D271-K275 WeakPolarHBondContact OD1-CE 3.49Å; D271-K275 IonicContact OD1-NZ 3.02Å; D271-K275 PolarHBondContact OD1-NZ 2.8Å; D271-K275 IonicContact OD2-NZ 2.73Å; D271-K275 PolarHBondContact OD2-NZ 2.89Å |
| 272 | Q | 89.4 | Confident | 90.6 | Very high | 105 Ų | 105 | 72.3 Ų | 72.3 | 49% | 0.491 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -66.2 | -42.9 | 172.2 | -164.7 | -178.8 | 13.2 | 0 | 0 | 112.6 | I221 A268 F269 L270 S274 K275 | I221-Q272 HydrophobicContact CD1-CG 3.98Å; A268-Q272 PolarHBondContact O-N 3.33Å; A268-Q272 VanDerWaalsContact O-N 3.11Å; F269-Q272 CarbonylContact O-C 3.56Å; F269-Q272 WeakPolarHBondContact O-CA 3.45Å; F269-Q272 VanDerWaalsContact O-CB 3.32Å; F269-Q272 WeakPolarHBondContact O-CB 3.48Å; F269-Q272 PolarHBondContact O-N 3.48Å; F269-Q272 VanDerWaalsContact O-N 3.07Å; L270-Q272 VanDerWaalsContact C-N 3.3Å; L270-Q272 PolarHBondContact O-N 3.25Å; Q272-S274 PolarHBondContact O-N 2.71Å; Q272-K275 PolarHBondContact O-N 2.75Å |
| 273 | L | 89 | Confident | 91 | Very high | 15 Ų | 15 | 67.8 Ų | 67.8 | 8% | 0.079 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -63.2 | -26.2 | 175.6 | -64.7 | -175.4 | 0 | 0 | 0 | 113 | I221 I257 M261 L262 F269 L270 K275 | I221-L273 HydrophobicContact CD1-CD2 4.21Å; I221-L273 HydrophobicContact CG2-CD2 3.6Å; I257-L273 HydrophobicContact CD1-CB 4.01Å; I257-L273 HydrophobicContact CD1-CD2 4.38Å; I257-L273 WeakPolarHBondContact CD1-O 3.22Å; I257-L273 HydrophobicContact CG2-CD2 4.32Å; M261-L273 HydrophobicContact CG-CD1 3.89Å; M261-L273 HydrophobicContact CG-CD2 3.97Å; M261-L273 HydrophobicContact SD-CD2 4.01Å; L262-L273 HydrophobicContact CD2-CD1 3.97Å; F269-L273 HydrophobicContact CD1-CD1 4.15Å; F269-L273 HydrophobicContact CD1-CG 4.27Å; F269-L273 HydrophobicContact CE1-CD1 3.76Å; F269-L273 HydrophobicContact CE1-CD2 4.07Å; F269-L273 HydrophobicContact CE1-CG 3.99Å; F269-L273 HydrophobicContact CE2-CD2 4.3Å; F269-L273 HydrophobicContact CZ-CD1 4.37Å; F269-L273 HydrophobicContact CZ-CD2 3.83Å; F269-L273 HydrophobicContact CZ-CG 4.22Å; F269-L273 WeakPolarHBondContact O-CG 3.49Å; F269-L273 PolarHBondContact O-N 2.86Å; L270-L273 HydrophobicContact CD2-CD1 4.09Å; L270-L273 PolarHBondContact O-N 2.76Å; L273-K275 PolarHBondContact O-N 3Å |
| 274 | S | 88.6 | Confident | 91.4 | Very high | 82 Ų | 82 | 68.1 Ų | 68.1 | 57% | 0.573 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -8.4 | -178.1 | 78.1 | 0 | 0 | 0 | 0 | 114.7 | L270 D271 Q272 | L270-S274 PolarHBondContact O-N 2.97Å; L270-S274 VanDerWaalsContact O-N 3.08Å; D271-S274 PolarHBondContact O-N 3.49Å; D271-S274 PolarHBondContact O-OG 2.72Å; Q272-S274 PolarHBondContact O-N 2.71Å |
| 275 | K | 93.1 | Very high | 92 | Very high | 111 Ų | 111 | 67.1 Ų | 67.1 | 48% | 0.483 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -108.5 | 124.4 | -170.5 | -67.9 | 159.4 | -168.5 | 167.8 | 0 | 110.7 | D271 Q272 L273 I277 | D271-K275 WeakPolarHBondContact O-CD 3.29Å; D271-K275 VanDerWaalsContact O-CE 3.23Å; D271-K275 WeakPolarHBondContact O-CE 3.39Å; D271-K275 WeakPolarHBondContact OD1-CE 3.49Å; D271-K275 IonicContact OD1-NZ 3.02Å; D271-K275 PolarHBondContact OD1-NZ 2.8Å; D271-K275 IonicContact OD2-NZ 2.73Å; D271-K275 PolarHBondContact OD2-NZ 2.89Å; Q272-K275 PolarHBondContact O-N 2.75Å; L273-K275 PolarHBondContact O-N 3Å; K275-I277 PolarHBondContact O-N 3.42Å |
| 276 | N | 92.9 | Very high | 92.5 | Very high | 105 Ų | 105 | 58.2 Ų | 58.2 | 56% | 0.561 | 31% | 0.31 | S | S | * | . | trans | -55.4 | 131.8 | 175.8 | -69.4 | 25.7 | 0 | 0 | 0 | 111.3 | E255 | E255-N276 VanDerWaalsContact OE2-CA 3.23Å; E255-N276 WeakPolarHBondContact OE2-CA 3.36Å | ||
| 277 | I | 92.5 | Very high | 92.8 | Very high | 54 Ų | 54 | 54.8 Ų | 54.8 | 28% | 0.277 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -82.2 | -19.5 | 174.6 | 54.8 | 160 | 0 | 0 | 0 | 112.2 | M217 V223 V225 E255 K275 | M217-I277 HydrophobicContact CB-CD1 4.12Å; M217-I277 HydrophobicContact CG-CD1 3.66Å; V223-I277 HydrophobicContact CB-CD1 3.88Å; V223-I277 HydrophobicContact CG1-CD1 4.14Å; V223-I277 HydrophobicContact CG1-CG1 4.49Å; V223-I277 HydrophobicContact CG2-CD1 4.16Å; V225-I277 HydrophobicContact CG2-CD1 4.2Å; E255-I277 PolarHBondContact OE1-N 2.64Å; E255-I277 WeakPolarHBondContact OE2-CG1 3.26Å; E255-I277 PolarHBondContact OE2-N 3.16Å; K275-I277 PolarHBondContact O-N 3.42Å |
| 278 | T | 95 | Very high | 93.1 | Very high | 3 Ų | 3 | 53.8 Ų | 53.8 | 2% | 0.018 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 167.2 | 175.3 | 75.5 | 0 | 0 | 0 | 0 | 112.8 | V225 H253 E255 M282 T283 | V225-T278 HydrophobicContact CB-CG2 4.46Å; V225-T278 HydrophobicContact CG1-CG2 3.91Å; V225-T278 HydrophobicContact CG2-CG2 3.81Å; H253-T278 PolarHBondContact CD2-OG1 2.87Å; H253-T278 VanDerWaalsContact CD2-OG1 3.3Å; E255-T278 WeakPolarHBondContact OE1-CA 3.12Å; E255-T278 VanDerWaalsContact OE1-CB 3.25Å; E255-T278 WeakPolarHBondContact OE1-CB 3.38Å; E255-T278 WeakPolarHBondContact OE1-CG2 3.33Å; E255-T278 PolarHBondContact OE1-N 2.73Å; E255-T278 PolarHBondContact OE1-OG1 3.3Å; T278-M282 WeakPolarHBondContact CA-O 3.4Å; T278-M282 WeakPolarHBondContact CB-O 3.44Å; T278-T283 HydrophobicContact CG2-CG2 4.07Å |
| 279 | R | 94 | Very high | 93.4 | Very high | 121 Ų | 121 | 52.1 Ų | 52.1 | 46% | 0.457 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 127.8 | 163.9 | -69.1 | -173.1 | -75.8 | 178.1 | -6.3 | 108 | G281 M282 N284 L287 | R279-G281 PolarHBondContact O-N 2.88Å; R279-M282 PolarHBondContact N-O 3.12Å; R279-M282 PolarHBondContact O-N 3.31Å; R279-N284 VanDerWaalsContact CZ-OD1 3.28Å; R279-N284 PolarHBondContact NE-OD1 2.81Å; R279-N284 PolarHBondContact NH2-OD1 2.98Å; R279-L287 HydrophobicContact CB-CD1 3.86Å |
| 280 | Y | 94.4 | Very high | 93.6 | Very high | 64 Ų | 64 | 50.3 Ų | 50.3 | 25% | 0.251 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56 | 35.1 | -174.5 | -41.7 | -72.6 | 0 | 0 | 0 | 112.5 | F157 L158 T159 I250 M282 | F157-Y280 HydrophobicContact CD2-CD1 4.08Å; F157-Y280 AromaticContact CD2-CD2 3.72Å; F157-Y280 HydrophobicContact CD2-CD2 3.72Å; F157-Y280 HydrophobicContact CD2-CE2 4.43Å; F157-Y280 AromaticContact CD2-CG 3.51Å; F157-Y280 HydrophobicContact CD2-CG 3.51Å; F157-Y280 AromaticContact CE2-CD2 3.44Å; F157-Y280 HydrophobicContact CE2-CD2 3.44Å; F157-Y280 VanDerWaalsContact CE2-CD2 3.44Å; F157-Y280 HydrophobicContact CE2-CE2 4.04Å; F157-Y280 AromaticContact CE2-CG 3.77Å; F157-Y280 HydrophobicContact CE2-CG 3.77Å; F157-Y280 HydrophobicContact CG-CG 4.3Å; F157-Y280 HydrophobicContact CZ-CD2 4.3Å; L158-Y280 VanDerWaalsContact O-CD1 3.3Å; L158-Y280 WeakPolarHBondContact O-CD1 3.18Å; L158-Y280 WeakPolarHBondContact O-CE1 3.26Å; T159-Y280 WeakPolarHBondContact CB-OH 3.49Å; T159-Y280 HydrophobicContact CG2-CD1 4.19Å; T159-Y280 HydrophobicContact CG2-CD2 4.18Å; T159-Y280 HydrophobicContact CG2-CE1 3.71Å; T159-Y280 HydrophobicContact CG2-CE2 3.68Å; T159-Y280 HydrophobicContact CG2-CG 4.41Å; T159-Y280 VanDerWaalsContact CG2-CZ 3.42Å; I250-Y280 WeakPolarHBondContact CD1-O 3.36Å; Y280-M282 PolarHBondContact O-N 3.38Å |
| 281 | G | 95.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.4 | -7.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | M215 V227 H253 R279 | M215-G281 WeakPolarHBondContact CE-O 3.49Å; V227-G281 WeakPolarHBondContact CG2-O 3.36Å; H253-G281 PolarHBondContact CD2-N 3.29Å; H253-G281 VanDerWaalsContact CG-CA 3.5Å; H253-G281 PolarHBondContact NE2-N 2.81Å; R279-G281 PolarHBondContact O-N 2.88Å |
| 282 | M | 96.2 | Very high | 94 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 142.4 | -177.1 | -58.8 | -52.6 | -60.1 | 0 | 0 | 112.4 | L155 Y176 I180 M213 I250 T278 R279 Y280 T286 L287 | L155-M282 HydrophobicContact CD2-CE 4.08Å; L155-M282 HydrophobicContact CD2-CG 3.76Å; L155-M282 HydrophobicContact CD2-SD 3.91Å; Y176-M282 HydrophobicContact CE2-CE 4.18Å; I180-M282 HydrophobicContact CD1-CE 4.44Å; M213-M282 HydrophobicContact CE-CE 4.27Å; M213-M282 HydrophobicContact CE-SD 3.61Å; I250-M282 HydrophobicContact CD1-CG 4Å; I250-M282 HydrophobicContact CD1-SD 3.96Å; T278-M282 WeakPolarHBondContact CA-O 3.4Å; T278-M282 WeakPolarHBondContact CB-O 3.44Å; R279-M282 PolarHBondContact N-O 3.12Å; R279-M282 PolarHBondContact O-N 3.31Å; Y280-M282 PolarHBondContact O-N 3.38Å; M282-T286 HydrophobicContact CE-CG2 3.53Å; M282-L287 HydrophobicContact CB-CD1 4.33Å; M282-L287 HydrophobicContact CB-CD2 3.89Å; M282-L287 HydrophobicContact CB-CG 3.83Å; M282-L287 HydrophobicContact CG-CD2 4.46Å |
| 283 | T | 95.2 | Very high | 94.2 | Very high | 9 Ų | 9 | 47.9 Ų | 47.9 | 6% | 0.055 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 154.6 | 176.7 | 60.3 | 0 | 0 | 0 | 0 | 112 | S183 M217 T278 T285 T286 L287 | S183-T283 WeakPolarHBondContact CB-OG1 3.34Å; S183-T283 WeakPolarHBondContact OG-CB 3.43Å; S183-T283 VanDerWaalsContact OG-CG2 3.26Å; S183-T283 WeakPolarHBondContact OG-CG2 3.49Å; S183-T283 PolarHBondContact OG-OG1 2.87Å; M217-T283 HydrophobicContact CE-CG2 3.36Å; M217-T283 HydrophobicContact SD-CG2 4.3Å; T278-T283 HydrophobicContact CG2-CG2 4.07Å; T283-T285 PolarHBondContact O-N 3.19Å; T283-T286 PolarHBondContact O-N 2.73Å; T283-T286 VanDerWaalsContact O-N 3.14Å; T283-T286 PolarHBondContact OG1-OG1 3.49Å; T283-T286 VanDerWaalsContact OG1-OG1 3.11Å; T283-L287 PolarHBondContact O-N 3.09Å |
| 284 | N | 94.8 | Very high | 94.3 | Very high | 63 Ų | 63 | 51.3 Ų | 51.3 | 34% | 0.337 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.9 | -32 | -177.3 | -72.2 | -67.6 | 0 | 0 | 0 | 113.2 | R279 N288 | R279-N284 VanDerWaalsContact CZ-OD1 3.28Å; R279-N284 PolarHBondContact NE-OD1 2.81Å; R279-N284 PolarHBondContact NH2-OD1 2.98Å; N284-N288 VanDerWaalsContact O-CB 3.3Å; N284-N288 WeakPolarHBondContact O-CB 3.26Å; N284-N288 PolarHBondContact O-N 2.83Å; N284-N288 PolarHBondContact O-ND2 3.36Å |
| 285 | T | 96.1 | Very high | 94.3 | Very high | 58 Ų | 58 | 52.1 Ų | 52.1 | 36% | 0.356 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -59.6 | -52.6 | 172.6 | -46.6 | 0 | 0 | 0 | 0 | 111.3 | E182 S183 T283 L287 N288 F289 | E182-T285 HydrophobicContact CB-CG2 4.44Å; S183-T285 WeakPolarHBondContact CB-OG1 3.39Å; T283-T285 PolarHBondContact O-N 3.19Å; T285-L287 PolarHBondContact O-N 3.43Å; T285-N288 PolarHBondContact O-N 3.26Å; T285-F289 PolarHBondContact O-N 2.99Å |
| 286 | T | 96.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.8 | -41.1 | -178.6 | -48.5 | 0 | 0 | 0 | 0 | 111.9 | Y176 S179 I180 M282 T283 N288 F289 F290 | Y176-T286 HydrophobicContact CD2-CG2 3.92Å; Y176-T286 HydrophobicContact CE2-CG2 3.8Å; S179-T286 WeakPolarHBondContact OG-CG2 3.32Å; S179-T286 PolarHBondContact OG-OG1 3.05Å; I180-T286 HydrophobicContact CG1-CG2 4.19Å; M282-T286 HydrophobicContact CE-CG2 3.53Å; T283-T286 PolarHBondContact O-N 2.73Å; T283-T286 VanDerWaalsContact O-N 3.14Å; T283-T286 PolarHBondContact OG1-OG1 3.49Å; T283-T286 VanDerWaalsContact OG1-OG1 3.11Å; T286-N288 VanDerWaalsContact C-N 3.33Å; T286-N288 PolarHBondContact O-N 3.02Å; T286-F289 WeakPolarHBondContact O-CB 3.44Å; T286-F289 PolarHBondContact O-N 3.37Å; T286-F290 HydrophobicContact CG2-CD2 4.07Å; T286-F290 HydrophobicContact CG2-CE2 3.79Å; T286-F290 VanDerWaalsContact O-CD2 3.24Å; T286-F290 WeakPolarHBondContact O-CD2 3.33Å; T286-F290 PolarHBondContact O-N 2.83Å |
| 287 | L | 95.5 | Very high | 93.8 | Very high | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.6 | -35.4 | 174.4 | -69.8 | 173.7 | 0 | 0 | 0 | 112.8 | F157 R279 M282 T283 T285 R291 | F157-L287 HydrophobicContact CE1-CD2 4.08Å; F157-L287 HydrophobicContact CZ-CD2 3.65Å; R279-L287 HydrophobicContact CB-CD1 3.86Å; M282-L287 HydrophobicContact CB-CD1 4.33Å; M282-L287 HydrophobicContact CB-CD2 3.89Å; M282-L287 HydrophobicContact CB-CG 3.83Å; M282-L287 HydrophobicContact CG-CD2 4.46Å; T283-L287 PolarHBondContact O-N 3.09Å; T285-L287 PolarHBondContact O-N 3.43Å; L287-R291 VanDerWaalsContact O-CG 3.28Å; L287-R291 WeakPolarHBondContact O-CG 3.28Å; L287-R291 PolarHBondContact O-N 2.89Å; L287-R291 VanDerWaalsContact O-N 3.12Å |
| 288 | N | 96.1 | Very high | 93.6 | Very high | 80 Ų | 80 | 53.2 Ų | 53.2 | 43% | 0.428 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -72.6 | -38.1 | 175.5 | -72.9 | -14.2 | 0 | 0 | 0 | 111.8 | N284 T285 T286 F290 R291 L292 | N284-N288 VanDerWaalsContact O-CB 3.3Å; N284-N288 WeakPolarHBondContact O-CB 3.26Å; N284-N288 PolarHBondContact O-N 2.83Å; N284-N288 PolarHBondContact O-ND2 3.36Å; T285-N288 PolarHBondContact O-N 3.26Å; T286-N288 VanDerWaalsContact C-N 3.33Å; T286-N288 PolarHBondContact O-N 3.02Å; N288-F290 PolarHBondContact O-N 3.46Å; N288-R291 PolarHBondContact O-N 2.87Å; N288-R291 PolarHBondContact OD1-NH1 2.94Å; N288-L292 WeakPolarHBondContact O-CG 3.48Å; N288-L292 PolarHBondContact O-N 2.97Å |
| 289 | F | 96.5 | Very high | 93.3 | Very high | 30 Ų | 30 | 56.5 Ų | 56.5 | 13% | 0.132 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -55.7 | -48.1 | 170 | 163 | -96.9 | 0 | 0 | 0 | 111.6 | I168 L172 R175 T285 T286 R291 L292 C293 | I168-F289 HydrophobicContact CD1-CE1 4.03Å; I168-F289 HydrophobicContact CD1-CZ 4.21Å; L172-F289 HydrophobicContact CB-CZ 4.28Å; R175-F289 HydrophobicContact CB-CD2 4.3Å; R175-F289 HydrophobicContact CB-CE2 3.45Å; R175-F289 VanDerWaalsContact CB-CE2 3.45Å; R175-F289 HydrophobicContact CB-CZ 3.86Å; T285-F289 PolarHBondContact O-N 2.99Å; T286-F289 WeakPolarHBondContact O-CB 3.44Å; T286-F289 PolarHBondContact O-N 3.37Å; F289-R291 PolarHBondContact O-N 2.69Å; F289-L292 WeakPolarHBondContact O-CB 3.46Å; F289-L292 PolarHBondContact O-N 3.49Å; F289-C293 VanDerWaalsContact CZ-SG 3.55Å; F289-C293 PolarHBondContact O-N 2.97Å; F289-C293 PolarHBondContact O-SG 3.19Å |
| 290 | F | 95.4 | Very high | 93.1 | Very high | 1 Ų | 1 | 57 Ų | 57 | 0% | 0.004 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.9 | -40.3 | 176.9 | -81.3 | -58.7 | 0 | 0 | 0 | 113.6 | L153 L155 Y166 I168 Y176 T286 N288 L292 C293 I294 | L153-F290 HydrophobicContact CD2-CZ 4.31Å; L155-F290 HydrophobicContact CB-CE1 4.49Å; L155-F290 HydrophobicContact CB-CE2 4.19Å; L155-F290 HydrophobicContact CB-CZ 3.82Å; L155-F290 HydrophobicContact CD2-CD2 4.25Å; L155-F290 HydrophobicContact CD2-CE2 3.42Å; L155-F290 VanDerWaalsContact CD2-CE2 3.42Å; L155-F290 HydrophobicContact CD2-CZ 3.9Å; L155-F290 HydrophobicContact CG-CE2 4.45Å; Y166-F290 HydrophobicContact CD1-CB 3.6Å; Y166-F290 HydrophobicContact CD1-CG 4.3Å; Y166-F290 HydrophobicContact CE1-CB 4.09Å; Y166-F290 HydrophobicContact CG-CB 3.87Å; Y166-F290 HydrophobicContact CG-CD1 4.24Å; Y166-F290 HydrophobicContact CG-CG 4.11Å; I168-F290 HydrophobicContact CD1-CE1 4.24Å; I168-F290 HydrophobicContact CG2-CD1 4.18Å; I168-F290 HydrophobicContact CG2-CE1 4.16Å; Y176-F290 HydrophobicContact CD2-CE1 4.23Å; Y176-F290 AromaticContact CD2-CE2 3.66Å; Y176-F290 HydrophobicContact CD2-CE2 3.66Å; Y176-F290 AromaticContact CD2-CZ 3.35Å; Y176-F290 HydrophobicContact CD2-CZ 3.35Å; Y176-F290 AromaticContact CE2-CE2 3.6Å; Y176-F290 HydrophobicContact CE2-CE2 3.6Å; Y176-F290 AromaticContact CE2-CZ 3.48Å; Y176-F290 HydrophobicContact CE2-CZ 3.48Å; Y176-F290 VanDerWaalsContact CE2-CZ 3.48Å; Y176-F290 HydrophobicContact CG-CZ 4.32Å; T286-F290 HydrophobicContact CG2-CD2 4.07Å; T286-F290 HydrophobicContact CG2-CE2 3.79Å; T286-F290 VanDerWaalsContact O-CD2 3.24Å; T286-F290 WeakPolarHBondContact O-CD2 3.33Å; T286-F290 PolarHBondContact O-N 2.83Å; N288-F290 PolarHBondContact O-N 3.46Å; F290-L292 VanDerWaalsContact C-N 3.32Å; F290-L292 PolarHBondContact O-N 3.3Å; F290-C293 WeakPolarHBondContact O-CB 3.24Å; F290-C293 PolarHBondContact O-N 3.22Å; F290-I294 PolarHBondContact O-N 3.19Å |
| 291 | R | 93.6 | Very high | 92.9 | Very high | 92 Ų | 92 | 56.6 Ų | 56.6 | 35% | 0.347 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.4 | -39.6 | 173.2 | -70.7 | 166.5 | -173.5 | 126.6 | 9 | 112.1 | L287 N288 F289 I295 | L287-R291 VanDerWaalsContact O-CG 3.28Å; L287-R291 WeakPolarHBondContact O-CG 3.28Å; L287-R291 PolarHBondContact O-N 2.89Å; L287-R291 VanDerWaalsContact O-N 3.12Å; N288-R291 PolarHBondContact O-N 2.87Å; N288-R291 PolarHBondContact OD1-NH1 2.94Å; F289-R291 PolarHBondContact O-N 2.69Å; R291-I295 PolarHBondContact O-N 3.24Å |
| 292 | L | 94.5 | Very high | 92.8 | Very high | 102 Ų | 102 | 58.1 Ų | 58.1 | 53% | 0.534 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -65.6 | -37.4 | 175.1 | -72 | 169.2 | 0 | 0 | 0 | 111.8 | N288 F289 F290 I295 L296 | N288-L292 WeakPolarHBondContact O-CG 3.48Å; N288-L292 PolarHBondContact O-N 2.97Å; F289-L292 WeakPolarHBondContact O-CB 3.46Å; F289-L292 PolarHBondContact O-N 3.49Å; F290-L292 VanDerWaalsContact C-N 3.32Å; F290-L292 PolarHBondContact O-N 3.3Å; L292-I295 WeakPolarHBondContact O-CG2 3.49Å; L292-I295 PolarHBondContact O-N 3.18Å; L292-L296 HydrophobicContact CB-CD1 4.47Å; L292-L296 VanDerWaalsContact O-CB 3.24Å; L292-L296 WeakPolarHBondContact O-CB 3.42Å; L292-L296 WeakPolarHBondContact O-CD1 3.4Å; L292-L296 WeakPolarHBondContact O-CG 3.14Å; L292-L296 PolarHBondContact O-N 3.12Å |
| 293 | C | 92.8 | Very high | 92.5 | Very high | 15 Ų | 15 | 61.8 Ų | 61.8 | 10% | 0.101 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61 | -49.8 | 176.5 | -63.6 | 0 | 0 | 0 | 0 | 111.9 | I168 L172 F289 F290 I295 L296 E297 | I168-C293 HydrophobicContact CG2-CB 3.97Å; L172-C293 HydrophobicContact CD1-CB 4.34Å; F289-C293 VanDerWaalsContact CZ-SG 3.55Å; F289-C293 PolarHBondContact O-N 2.97Å; F289-C293 PolarHBondContact O-SG 3.19Å; F290-C293 WeakPolarHBondContact O-CB 3.24Å; F290-C293 PolarHBondContact O-N 3.22Å; C293-I295 VanDerWaalsContact C-N 3.35Å; C293-I295 PolarHBondContact O-N 2.8Å; C293-L296 PolarHBondContact O-N 2.98Å; C293-E297 PolarHBondContact O-N 3.18Å |
| 294 | I | 90.2 | Very high | 92.3 | Very high | 87 Ų | 87 | 64.5 Ų | 64.5 | 45% | 0.446 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.1 | -39.5 | -179.9 | -70.8 | -171.8 | 0 | 0 | 0 | 112.6 | Y166 F290 P298 | Y166-I294 HydrophobicContact CD1-CD1 3.36Å; Y166-I294 HydrophobicContact CD1-CG1 4.01Å; Y166-I294 HydrophobicContact CE1-CD1 3.53Å; Y166-I294 HydrophobicContact CE1-CG1 4.37Å; Y166-I294 HydrophobicContact CG-CD1 4.39Å; F290-I294 PolarHBondContact O-N 3.19Å; I294-P298 WeakPolarHBondContact O-CD 3.09Å |
| 295 | I | 90.6 | Very high | 92.1 | Very high | 99 Ų | 99 | 62.8 Ų | 62.8 | 51% | 0.508 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -79 | -30 | 179 | -165.9 | 169.3 | 0 | 0 | 0 | 112.7 | R291 L292 C293 P298 M299 | R291-I295 PolarHBondContact O-N 3.24Å; L292-I295 WeakPolarHBondContact O-CG2 3.49Å; L292-I295 PolarHBondContact O-N 3.18Å; C293-I295 VanDerWaalsContact C-N 3.35Å; C293-I295 PolarHBondContact O-N 2.8Å; I295-P298 WeakPolarHBondContact O-CD 3.41Å; I295-P298 WeakPolarHBondContact O-CG 3.44Å; I295-M299 HydrophobicContact CG1-SD 4.24Å; I295-M299 VanDerWaalsContact O-CG 3.25Å; I295-M299 WeakPolarHBondContact O-CG 3.38Å |
| 296 | L | 89.5 | Confident | 92 | Very high | 79 Ų | 79 | 63.9 Ų | 63.9 | 41% | 0.414 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -72.6 | -30 | -179.8 | -75.8 | 170.7 | 0 | 0 | 0 | 113.2 | L292 C293 M299 Q300 M303 | L292-L296 HydrophobicContact CB-CD1 4.47Å; L292-L296 VanDerWaalsContact O-CB 3.24Å; L292-L296 WeakPolarHBondContact O-CB 3.42Å; L292-L296 WeakPolarHBondContact O-CD1 3.4Å; L292-L296 WeakPolarHBondContact O-CG 3.14Å; L292-L296 PolarHBondContact O-N 3.12Å; C293-L296 PolarHBondContact O-N 2.98Å; L296-M299 HydrophobicContact CD2-SD 4.33Å; L296-M299 CarbonylContact O-C 3.6Å; L296-M299 WeakPolarHBondContact O-CB 3.42Å; L296-M299 PolarHBondContact O-N 3.36Å; L296-Q300 WeakPolarHBondContact O-CG 3.35Å; L296-Q300 PolarHBondContact O-N 3.22Å; L296-Q300 VanDerWaalsContact O-N 3.13Å; L296-M303 HydrophobicContact CD2-CE 3.83Å |
| 297 | E | 85.7 | Confident | 91.8 | Very high | 137 Ų | 137 | 72.8 Ų | 72.8 | 64% | 0.64 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -55.2 | -60.2 | 176.5 | 178.5 | 177.5 | -167.6 | 0 | 0 | 113.5 | C293 M299 Q300 | C293-E297 PolarHBondContact O-N 3.18Å; E297-M299 PolarHBondContact O-N 2.98Å; E297-Q300 WeakPolarHBondContact O-CB 3.44Å; E297-Q300 WeakPolarHBondContact O-CG 3.5Å; E297-Q300 PolarHBondContact O-N 3.34Å |
| 298 | P | 87.8 | Confident | 91.7 | Very high | 77 Ų | 77 | 76.1 Ų | 76.1 | 50% | 0.5 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -66.7 | -20.9 | 176.2 | 28 | -35.6 | 0 | 0 | 0 | 112.8 | I294 I295 Q300 | I294-P298 WeakPolarHBondContact O-CD 3.09Å; I295-P298 WeakPolarHBondContact O-CD 3.41Å; I295-P298 WeakPolarHBondContact O-CG 3.44Å; P298-Q300 VanDerWaalsContact C-N 3.27Å; P298-Q300 PolarHBondContact O-N 3.13Å |
| 299 | M | 89.3 | Confident | 91.4 | Very high | 72 Ų | 72 | 79.8 Ų | 79.8 | 36% | 0.355 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -70.8 | -18.7 | 171.6 | -70.8 | 178.4 | 68.8 | 0 | 0 | 113.1 | I295 L296 E297 E301 L302 M303 | I295-M299 HydrophobicContact CG1-SD 4.24Å; I295-M299 VanDerWaalsContact O-CG 3.25Å; I295-M299 WeakPolarHBondContact O-CG 3.38Å; L296-M299 HydrophobicContact CD2-SD 4.33Å; L296-M299 CarbonylContact O-C 3.6Å; L296-M299 WeakPolarHBondContact O-CB 3.42Å; L296-M299 PolarHBondContact O-N 3.36Å; E297-M299 PolarHBondContact O-N 2.98Å; M299-E301 VanDerWaalsContact C-N 3.28Å; M299-E301 PolarHBondContact O-N 3.13Å; M299-L302 WeakPolarHBondContact O-CA 3.48Å; M299-L302 WeakPolarHBondContact O-CB 3.25Å; M299-L302 PolarHBondContact O-N 3.49Å; M299-M303 HydrophobicContact CB-CE 4.14Å; M299-M303 HydrophobicContact CE-CE 4.04Å; M299-M303 WeakPolarHBondContact O-CG 3.37Å; M299-M303 PolarHBondContact O-N 3.46Å |
| 300 | Q | 88.7 | Confident | 91.2 | Very high | 131 Ų | 131 | 84 Ų | 84 | 61% | 0.612 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -60.3 | -37.3 | 177.5 | -62.3 | -172.1 | 27.6 | 0 | 0 | 112.2 | L296 E297 P298 L302 M303 S304 | L296-Q300 WeakPolarHBondContact O-CG 3.35Å; L296-Q300 PolarHBondContact O-N 3.22Å; L296-Q300 VanDerWaalsContact O-N 3.13Å; E297-Q300 WeakPolarHBondContact O-CB 3.44Å; E297-Q300 WeakPolarHBondContact O-CG 3.5Å; E297-Q300 PolarHBondContact O-N 3.34Å; P298-Q300 VanDerWaalsContact C-N 3.27Å; P298-Q300 PolarHBondContact O-N 3.13Å; Q300-L302 VanDerWaalsContact C-N 3.33Å; Q300-L302 PolarHBondContact O-N 3.32Å; Q300-M303 PolarHBondContact O-N 3.2Å; Q300-S304 WeakPolarHBondContact O-CB 3.33Å; Q300-S304 PolarHBondContact O-N 2.77Å; Q300-S304 PolarHBondContact O-OG 3.21Å |
| 301 | E | 91.4 | Very high | 90.9 | Very high | 56 Ų | 56 | 87.3 Ų | 87.3 | 26% | 0.262 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -62.8 | -39.8 | 173.1 | -171 | -173.5 | 173.4 | 0 | 0 | 111.5 | M299 S304 R305 T320 K324 | M299-E301 VanDerWaalsContact C-N 3.28Å; M299-E301 PolarHBondContact O-N 3.13Å; E301-S304 PolarHBondContact O-OG 3.45Å; E301-R305 VanDerWaalsContact O-CD 3.31Å; E301-R305 WeakPolarHBondContact O-CD 3.33Å; E301-R305 VanDerWaalsContact O-CG 3.22Å; E301-R305 WeakPolarHBondContact O-CG 3.45Å; E301-R305 PolarHBondContact O-N 3.17Å; E301-R305 VanDerWaalsContact O-N 3.14Å; E301-R305 IonicContact OE1-CZ 3.36Å; E301-R305 IonicContact OE1-NE 3.26Å; E301-R305 PolarHBondContact OE1-NE 3.33Å; E301-R305 IonicContact OE1-NH2 2.74Å; E301-R305 PolarHBondContact OE1-NH2 3.42Å; E301-T320 HydrophobicContact CG-CG2 4.41Å; E301-T320 WeakPolarHBondContact OE1-CG2 3.44Å; E301-K324 WeakPolarHBondContact OE2-CE 3.31Å; E301-K324 IonicContact OE2-NZ 2.65Å; E301-K324 PolarHBondContact OE2-NZ 3.22Å |
| 302 | L | 92.2 | Very high | 90.8 | Very high | 32 Ų | 32 | 86.3 Ų | 86.3 | 17% | 0.168 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -69.8 | -42.5 | 179 | -54.1 | -177.6 | 0 | 0 | 0 | 111.3 | M299 Q300 R305 Q306 L317 T320 | M299-L302 WeakPolarHBondContact O-CA 3.48Å; M299-L302 WeakPolarHBondContact O-CB 3.25Å; M299-L302 PolarHBondContact O-N 3.49Å; Q300-L302 VanDerWaalsContact C-N 3.33Å; Q300-L302 PolarHBondContact O-N 3.32Å; L302-R305 PolarHBondContact O-N 2.83Å; L302-Q306 WeakPolarHBondContact O-CB 3.42Å; L302-Q306 PolarHBondContact O-N 3.23Å; L302-L317 HydrophobicContact CD1-CB 4.43Å; L302-L317 HydrophobicContact CD1-CD1 3.92Å; L302-L317 HydrophobicContact CD2-CD1 4.45Å; L302-T320 HydrophobicContact CD2-CG2 3.89Å; L302-T320 VanDerWaalsContact CD2-OG1 3.27Å; L302-T320 WeakPolarHBondContact CD2-OG1 3.36Å |
| 303 | M | 90.6 | Very high | 90.7 | Very high | 76 Ų | 76 | 85.1 Ų | 85.1 | 37% | 0.374 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -65.3 | -37.2 | 176.8 | -67.8 | -177.4 | -169.7 | 0 | 0 | 112.2 | L296 M299 Q300 Q306 K307 | L296-M303 HydrophobicContact CD2-CE 3.83Å; M299-M303 HydrophobicContact CB-CE 4.14Å; M299-M303 HydrophobicContact CE-CE 4.04Å; M299-M303 WeakPolarHBondContact O-CG 3.37Å; M299-M303 PolarHBondContact O-N 3.46Å; Q300-M303 PolarHBondContact O-N 3.2Å; M303-Q306 PolarHBondContact O-N 3.31Å; M303-K307 WeakPolarHBondContact O-CG 2.97Å; M303-K307 PolarHBondContact O-N 3.46Å |
| 304 | S | 91.4 | Very high | 90.7 | Very high | 66 Ų | 66 | 93.7 Ų | 93.7 | 46% | 0.462 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67.8 | -43.1 | 176.4 | 72.7 | 0 | 0 | 0 | 0 | 111.4 | Q300 E301 Q306 K307 A308 | Q300-S304 WeakPolarHBondContact O-CB 3.33Å; Q300-S304 PolarHBondContact O-N 2.77Å; Q300-S304 PolarHBondContact O-OG 3.21Å; E301-S304 PolarHBondContact O-OG 3.45Å; S304-Q306 PolarHBondContact O-N 3.46Å; S304-K307 PolarHBondContact O-N 3.3Å; S304-A308 VanDerWaalsContact O-CB 3.31Å; S304-A308 WeakPolarHBondContact O-CB 3.22Å; S304-A308 PolarHBondContact O-N 3.44Å |
| 305 | R | 90.2 | Very high | 91 | Very high | 27 Ų | 27 | 92 Ų | 92 | 10% | 0.102 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -61.7 | -41.4 | 173.2 | -69.8 | 163.6 | 177.4 | -101.3 | 6.9 | 112.5 | E301 L302 A308 Y309 C316 T320 Q323 | E301-R305 VanDerWaalsContact O-CD 3.31Å; E301-R305 WeakPolarHBondContact O-CD 3.33Å; E301-R305 VanDerWaalsContact O-CG 3.22Å; E301-R305 WeakPolarHBondContact O-CG 3.45Å; E301-R305 PolarHBondContact O-N 3.17Å; E301-R305 VanDerWaalsContact O-N 3.14Å; E301-R305 IonicContact OE1-CZ 3.36Å; E301-R305 IonicContact OE1-NE 3.26Å; E301-R305 PolarHBondContact OE1-NE 3.33Å; E301-R305 IonicContact OE1-NH2 2.74Å; E301-R305 PolarHBondContact OE1-NH2 3.42Å; L302-R305 PolarHBondContact O-N 2.83Å; R305-A308 PolarHBondContact O-N 3.44Å; R305-Y309 HydrophobicContact CB-CD2 4.27Å; R305-Y309 HydrophobicContact CG-CE2 4.48Å; R305-Y309 WeakPolarHBondContact O-CD2 3.44Å; R305-Y309 PolarHBondContact O-N 3.48Å; R305-C316 HydrophobicContact CB-CB 4.45Å; R305-T320 WeakPolarHBondContact CD-OG1 3.31Å; R305-T320 VanDerWaalsContact CZ-OG1 3.27Å; R305-T320 PolarHBondContact NE-OG1 3.33Å; R305-Q323 VanDerWaalsContact CZ-OE1 3.29Å |
| 306 | Q | 92.8 | Very high | 91.1 | Very high | 81 Ų | 81 | 87.2 Ų | 87.2 | 38% | 0.379 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -60.5 | -45.3 | 175.3 | -178.4 | 177.8 | -3.9 | 0 | 0 | 111.2 | L302 M303 S304 S310 C316 | L302-Q306 WeakPolarHBondContact O-CB 3.42Å; L302-Q306 PolarHBondContact O-N 3.23Å; M303-Q306 PolarHBondContact O-N 3.31Å; S304-Q306 PolarHBondContact O-N 3.46Å; Q306-S310 VanDerWaalsContact O-CA 3.31Å; Q306-S310 WeakPolarHBondContact O-CA 3.04Å; Q306-S310 PolarHBondContact O-N 2.92Å; Q306-C316 VanDerWaalsContact CA-SG 3.57Å |
| 307 | K | 92.4 | Very high | 91.4 | Very high | 188 Ų | 188 | 87.1 Ų | 87.1 | 82% | 0.817 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -66.9 | -36.6 | 176.1 | -72.4 | 176.8 | 179.2 | -177.7 | 0 | 113.1 | M303 S304 | M303-K307 WeakPolarHBondContact O-CG 2.97Å; M303-K307 PolarHBondContact O-N 3.46Å; S304-K307 PolarHBondContact O-N 3.3Å |
| 308 | A | 93.1 | Very high | 91.8 | Very high | 70 Ų | 70 | 86.8 Ų | 86.8 | 58% | 0.579 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -78.9 | -32.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | S304 R305 | S304-A308 VanDerWaalsContact O-CB 3.31Å; S304-A308 WeakPolarHBondContact O-CB 3.22Å; S304-A308 PolarHBondContact O-N 3.44Å; R305-A308 PolarHBondContact O-N 3.44Å |
| 309 | Y | 91.8 | Very high | 92 | Very high | 157 Ų | 157 | 85.7 Ų | 85.7 | 62% | 0.616 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -119.7 | -1.9 | -172 | -55.9 | -62.1 | 0 | 0 | 0 | 114.5 | R305 L311 | R305-Y309 HydrophobicContact CB-CD2 4.27Å; R305-Y309 HydrophobicContact CG-CE2 4.48Å; R305-Y309 WeakPolarHBondContact O-CD2 3.44Å; R305-Y309 PolarHBondContact O-N 3.48Å; Y309-L311 PolarHBondContact O-N 3.47Å |
| 310 | S | 90.8 | Very high | 92.1 | Very high | 118 Ų | 118 | 82.5 Ų | 82.5 | 83% | 0.825 | 42% | 0.421 | S | S | * | . | trans | 54.9 | 18.9 | -176.4 | 59.8 | 0 | 0 | 0 | 0 | 115.5 | Q306 | Q306-S310 VanDerWaalsContact O-CA 3.31Å; Q306-S310 WeakPolarHBondContact O-CA 3.04Å; Q306-S310 PolarHBondContact O-N 2.92Å | ||
| 311 | L | 88.7 | Confident | 92.4 | Very high | 72 Ų | 72 | 81.2 Ų | 81.2 | 38% | 0.377 | 42% | 0.417 | S | S | . | . | trans | -71.5 | 158.3 | 177.4 | -65.4 | 174.3 | 0 | 0 | 0 | 111.6 | Y309 | Y309-L311 PolarHBondContact O-N 3.47Š| ||
| 312 | T | 92.9 | Very high | 92.4 | Very high | 70 Ų | 70 | 83.7 Ų | 83.7 | 43% | 0.429 | 43% | 0.428 | S | S | . | . | trans | -64.6 | 153.1 | 172.1 | 87.5 | 0 | 0 | 0 | 0 | 110.8 | R314 D315 C316 | T312-R314 PolarHBondContact O-N 3Å; T312-R314 PolarHBondContact OG1-N 3.48Å; T312-D315 WeakPolarHBondContact CG2-OD2 3.27Å; T312-D315 PolarHBondContact O-N 2.85Å; T312-D315 PolarHBondContact OG1-N 3.5Å; T312-D315 PolarHBondContact OG1-OD2 2.87Å; T312-C316 PolarHBondContact O-N 3.01Å; T312-C316 PolarHBondContact O-SG 3.05Å | ||
| 313 | P | 91.4 | Very high | 92.3 | Very high | 78 Ų | 78 | 85.7 Ų | 85.7 | 51% | 0.506 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -57.3 | -33.3 | 174.5 | -24.9 | 33.2 | 0 | 0 | 0 | 113.3 | D315 L317 | P313-D315 VanDerWaalsContact C-N 3.35Å; P313-L317 PolarHBondContact O-N 3.25Å |
| 314 | R | 93.8 | Very high | 92.4 | Very high | 195 Ų | 195 | 86.1 Ų | 86.1 | 74% | 0.736 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -63.1 | -40.8 | 175.5 | -72.6 | -77.9 | -168.7 | 164.7 | 2 | 111.4 | T312 L317 K318 | T312-R314 PolarHBondContact O-N 3Å; T312-R314 PolarHBondContact OG1-N 3.48Å; R314-L317 PolarHBondContact O-N 2.85Å; R314-K318 WeakPolarHBondContact O-CG 3.26Å; R314-K318 PolarHBondContact O-N 2.89Å |
| 315 | D | 95 | Very high | 92.4 | Very high | 50 Ų | 50 | 89.2 Ų | 89.2 | 27% | 0.267 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -83.4 | -29.8 | -177.3 | -55.7 | -52.4 | 0 | 0 | 0 | 112.1 | T312 P313 L317 K318 T319 | T312-D315 WeakPolarHBondContact CG2-OD2 3.27Å; T312-D315 PolarHBondContact O-N 2.85Å; T312-D315 PolarHBondContact OG1-N 3.5Å; T312-D315 PolarHBondContact OG1-OD2 2.87Å; P313-D315 VanDerWaalsContact C-N 3.35Å; D315-L317 VanDerWaalsContact C-N 3.3Å; D315-L317 PolarHBondContact O-N 3.43Å; D315-K318 PolarHBondContact O-N 3.29Å; D315-K318 WeakPolarHBondContact OD1-CD 3.47Å; D315-K318 WeakPolarHBondContact OD1-CE 3.34Å; D315-K318 IonicContact OD1-NZ 2.69Å; D315-K318 PolarHBondContact OD1-NZ 3.05Å; D315-T319 WeakPolarHBondContact O-CB 3.41Å; D315-T319 WeakPolarHBondContact O-CG2 3.41Å; D315-T319 PolarHBondContact O-N 3.15Å; D315-T319 PolarHBondContact O-OG1 3.42Å |
| 316 | C | 94.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 92.1 Ų | 92.1 | 0% | 0 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -57 | -45.1 | 164.3 | -64.8 | 0 | 0 | 0 | 0 | 110.8 | R305 Q306 T312 T319 T320 | R305-C316 HydrophobicContact CB-CB 4.45Å; Q306-C316 VanDerWaalsContact CA-SG 3.57Å; T312-C316 PolarHBondContact O-N 3.01Å; T312-C316 PolarHBondContact O-SG 3.05Å; C316-T319 PolarHBondContact O-OG1 2.86Å; C316-T320 VanDerWaalsContact O-CB 3.26Å; C316-T320 WeakPolarHBondContact O-CB 3.34Å; C316-T320 PolarHBondContact O-N 3.19Å; C316-T320 PolarHBondContact O-OG1 3.5Å |
| 317 | L | 95.3 | Very high | 92.3 | Very high | 76 Ų | 76 | 95.9 Ų | 95.9 | 40% | 0.398 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.2 | -52.1 | 175.6 | -179.7 | 63.6 | 0 | 0 | 0 | 111.9 | L302 P313 R314 D315 T319 T320 L321 | L302-L317 HydrophobicContact CD1-CB 4.43Å; L302-L317 HydrophobicContact CD1-CD1 3.92Å; L302-L317 HydrophobicContact CD2-CD1 4.45Å; P313-L317 PolarHBondContact O-N 3.25Å; R314-L317 PolarHBondContact O-N 2.85Å; D315-L317 VanDerWaalsContact C-N 3.3Å; D315-L317 PolarHBondContact O-N 3.43Å; L317-T319 PolarHBondContact O-N 2.98Å; L317-T320 PolarHBondContact O-N 3.47Å; L317-L321 HydrophobicContact CD1-CD1 3.85Å; L317-L321 HydrophobicContact CD1-CG 3.99Å; L317-L321 HydrophobicContact CG-CD1 3.86Å; L317-L321 HydrophobicContact CG-CG 4.39Å; L317-L321 WeakPolarHBondContact O-CB 3.4Å; L317-L321 WeakPolarHBondContact O-CG 3.37Å; L317-L321 PolarHBondContact O-N 3.04Å |
| 318 | K | 94.3 | Very high | 92 | Very high | 131 Ų | 131 | 94 Ų | 94 | 57% | 0.57 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -53.9 | -51.1 | 178.1 | -70.3 | 171.5 | -165.2 | 162.6 | 0 | 112.2 | R314 D315 T320 L321 F322 | R314-K318 WeakPolarHBondContact O-CG 3.26Å; R314-K318 PolarHBondContact O-N 2.89Å; D315-K318 PolarHBondContact O-N 3.29Å; D315-K318 WeakPolarHBondContact OD1-CD 3.47Å; D315-K318 WeakPolarHBondContact OD1-CE 3.34Å; D315-K318 IonicContact OD1-NZ 2.69Å; D315-K318 PolarHBondContact OD1-NZ 3.05Å; K318-T320 VanDerWaalsContact C-N 3.34Å; K318-T320 PolarHBondContact O-N 2.87Å; K318-L321 PolarHBondContact O-N 3.48Å; K318-F322 WeakPolarHBondContact O-CB 3.47Å; K318-F322 PolarHBondContact O-N 3.14Å |
| 319 | T | 91.7 | Very high | 91.3 | Very high | 53 Ų | 53 | 94.9 Ų | 94.9 | 33% | 0.325 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -66.7 | -35.5 | -177.5 | 52.5 | 0 | 0 | 0 | 0 | 112.2 | D315 C316 L317 Q323 | D315-T319 WeakPolarHBondContact O-CB 3.41Å; D315-T319 WeakPolarHBondContact O-CG2 3.41Å; D315-T319 PolarHBondContact O-N 3.15Å; D315-T319 PolarHBondContact O-OG1 3.42Å; C316-T319 PolarHBondContact O-OG1 2.86Å; L317-T319 PolarHBondContact O-N 2.98Å; T319-Q323 WeakPolarHBondContact O-CB 3.24Å; T319-Q323 VanDerWaalsContact O-CG 3.24Å; T319-Q323 WeakPolarHBondContact O-CG 3.35Å; T319-Q323 PolarHBondContact O-N 3.42Å |
| 320 | T | 92.2 | Very high | 90 | Very high | 5 Ų | 5 | 93 Ų | 93 | 3% | 0.031 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -67.6 | -47.1 | 175.2 | -56.4 | 0 | 0 | 0 | 0 | 111.8 | E301 L302 R305 C316 L317 K318 Q323 K324 | E301-T320 HydrophobicContact CG-CG2 4.41Å; E301-T320 WeakPolarHBondContact OE1-CG2 3.44Å; L302-T320 HydrophobicContact CD2-CG2 3.89Å; L302-T320 VanDerWaalsContact CD2-OG1 3.27Å; L302-T320 WeakPolarHBondContact CD2-OG1 3.36Å; R305-T320 WeakPolarHBondContact CD-OG1 3.31Å; R305-T320 VanDerWaalsContact CZ-OG1 3.27Å; R305-T320 PolarHBondContact NE-OG1 3.33Å; C316-T320 VanDerWaalsContact O-CB 3.26Å; C316-T320 WeakPolarHBondContact O-CB 3.34Å; C316-T320 PolarHBondContact O-N 3.19Å; C316-T320 PolarHBondContact O-OG1 3.5Å; L317-T320 PolarHBondContact O-N 3.47Å; K318-T320 VanDerWaalsContact C-N 3.34Å; K318-T320 PolarHBondContact O-N 2.87Å; T320-Q323 PolarHBondContact O-N 3.28Å; T320-K324 HydrophobicContact CG2-CD 4.24Å; T320-K324 WeakPolarHBondContact O-CB 3.31Å; T320-K324 WeakPolarHBondContact O-CG 3.34Å; T320-K324 PolarHBondContact O-N 2.91Å |
| 321 | L | 93.4 | Very high | 88.4 | Confident | 104 Ų | 104 | 95.1 Ų | 95.1 | 55% | 0.545 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -61.1 | -46.9 | 176.9 | -71.1 | 173.1 | 0 | 0 | 0 | 111.3 | L317 K318 Q323 K324 W325 | L317-L321 HydrophobicContact CD1-CD1 3.85Å; L317-L321 HydrophobicContact CD1-CG 3.99Å; L317-L321 HydrophobicContact CG-CD1 3.86Å; L317-L321 HydrophobicContact CG-CG 4.39Å; L317-L321 WeakPolarHBondContact O-CB 3.4Å; L317-L321 WeakPolarHBondContact O-CG 3.37Å; L317-L321 PolarHBondContact O-N 3.04Å; K318-L321 PolarHBondContact O-N 3.48Å; L321-Q323 PolarHBondContact O-N 2.96Å; L321-K324 PolarHBondContact O-N 2.72Å; L321-W325 WeakPolarHBondContact O-CB 3.34Å; L321-W325 PolarHBondContact O-N 3.03Å |
| 322 | F | 92.9 | Very high | 86.6 | Confident | 109 Ų | 109 | 99.9 Ų | 99.9 | 48% | 0.478 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.2 | -45.4 | 178.1 | -174.3 | -107.4 | 0 | 0 | 0 | 112.1 | K318 K324 W325 Q326 | K318-F322 WeakPolarHBondContact O-CB 3.47Å; K318-F322 PolarHBondContact O-N 3.14Å; F322-K324 PolarHBondContact O-N 3.21Å; F322-W325 AromaticContact CD2-CE3 4Å; F322-W325 HydrophobicContact CD2-CE3 4Å; F322-W325 HydrophobicContact CD2-CZ3 4.23Å; F322-W325 AromaticContact CE2-CE3 3.96Å; F322-W325 HydrophobicContact CE2-CE3 3.96Å; F322-W325 AromaticContact CE2-CZ3 3.74Å; F322-W325 HydrophobicContact CE2-CZ3 3.74Å; F322-W325 PolarHBondContact O-N 2.91Å; F322-Q326 HydrophobicContact CD1-CG 4.36Å; F322-Q326 HydrophobicContact CE1-CG 4.07Å; F322-Q326 VanDerWaalsContact CE1-OE1 3.26Å; F322-Q326 HydrophobicContact CE2-CG 4.45Å; F322-Q326 HydrophobicContact CZ-CG 4.12Å; F322-Q326 WeakPolarHBondContact O-CB 3.39Å; F322-Q326 WeakPolarHBondContact O-CG 3.36Å; F322-Q326 PolarHBondContact O-N 3.49Å |
| 323 | Q | 90.1 | Very high | 84.3 | Confident | 74 Ų | 74 | 100.7 Ų | 100.7 | 35% | 0.346 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.8 | -35.8 | 175.8 | -75 | 175.7 | 0.9 | 0 | 0 | 113.3 | R305 T319 T320 L321 R327 | R305-Q323 VanDerWaalsContact CZ-OE1 3.29Å; T319-Q323 WeakPolarHBondContact O-CB 3.24Å; T319-Q323 VanDerWaalsContact O-CG 3.24Å; T319-Q323 WeakPolarHBondContact O-CG 3.35Å; T319-Q323 PolarHBondContact O-N 3.42Å; T320-Q323 PolarHBondContact O-N 3.28Å; L321-Q323 PolarHBondContact O-N 2.96Å; Q323-R327 WeakPolarHBondContact O-CG 3.47Å; Q323-R327 PolarHBondContact O-N 3.26Å |
| 324 | K | 91.2 | Very high | 82.1 | Confident | 84 Ų | 84 | 103.1 Ų | 103.1 | 37% | 0.365 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.9 | -44.7 | 174.6 | -75.5 | -177.2 | -179.3 | 179.9 | 0 | 110.7 | E301 T320 L321 F322 Q326 R327 M328 | E301-K324 WeakPolarHBondContact OE2-CE 3.31Å; E301-K324 IonicContact OE2-NZ 2.65Å; E301-K324 PolarHBondContact OE2-NZ 3.22Å; T320-K324 HydrophobicContact CG2-CD 4.24Å; T320-K324 WeakPolarHBondContact O-CB 3.31Å; T320-K324 WeakPolarHBondContact O-CG 3.34Å; T320-K324 PolarHBondContact O-N 2.91Å; L321-K324 PolarHBondContact O-N 2.72Å; F322-K324 PolarHBondContact O-N 3.21Å; K324-Q326 PolarHBondContact O-N 3.05Å; K324-R327 PolarHBondContact O-N 2.65Å; K324-R327 VanDerWaalsContact O-N 3.13Å; K324-M328 WeakPolarHBondContact O-CG 3.3Å; K324-M328 PolarHBondContact O-N 2.64Å; K324-M328 VanDerWaalsContact O-N 3.08Å |
| 325 | W | 92.5 | Very high | 79.5 | Confident | 131 Ų | 131 | 104.9 Ų | 104.9 | 50% | 0.496 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -57.7 | -48 | 174.3 | 177.7 | 75.3 | 0 | 0 | 0 | 112.3 | L321 F322 R327 M328 M329 | L321-W325 WeakPolarHBondContact O-CB 3.34Å; L321-W325 PolarHBondContact O-N 3.03Å; F322-W325 AromaticContact CD2-CE3 4Å; F322-W325 HydrophobicContact CD2-CE3 4Å; F322-W325 HydrophobicContact CD2-CZ3 4.23Å; F322-W325 AromaticContact CE2-CE3 3.96Å; F322-W325 HydrophobicContact CE2-CE3 3.96Å; F322-W325 AromaticContact CE2-CZ3 3.74Å; F322-W325 HydrophobicContact CE2-CZ3 3.74Å; F322-W325 PolarHBondContact O-N 2.91Å; W325-R327 PolarHBondContact O-N 3.43Å; W325-R327 VanDerWaalsContact O-N 3.11Å; W325-M328 PolarHBondContact O-N 2.91Å; W325-M329 HydrophobicContact CD2-CG 4.28Å; W325-M329 HydrophobicContact CD2-SD 4.03Å; W325-M329 VanDerWaalsContact CE2-SD 3.57Å; W325-M329 HydrophobicContact CE3-SD 4.14Å; W325-M329 HydrophobicContact CH2-CE 4.46Å; W325-M329 HydrophobicContact CH2-SD 3.45Å; W325-M329 WeakPolarHBondContact CH2-SD 3.49Å; W325-M329 HydrophobicContact CZ2-CE 4.16Å; W325-M329 HydrophobicContact CZ2-CG 4.27Å; W325-M329 HydrophobicContact CZ2-SD 3.3Å; W325-M329 WeakPolarHBondContact CZ2-SD 3.42Å; W325-M329 HydrophobicContact CZ3-SD 3.87Å; W325-M329 WeakPolarHBondContact O-CG 3.45Å; W325-M329 PolarHBondContact O-N 3.42Å |
| 326 | Q | 91.4 | Very high | 76.9 | Confident | 88 Ų | 88 | 110.9 Ų | 110.9 | 41% | 0.411 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.1 | -19.3 | 176.1 | -75 | -172.8 | -54.1 | 0 | 0 | 115 | F322 K324 | F322-Q326 HydrophobicContact CD1-CG 4.36Å; F322-Q326 HydrophobicContact CE1-CG 4.07Å; F322-Q326 VanDerWaalsContact CE1-OE1 3.26Å; F322-Q326 HydrophobicContact CE2-CG 4.45Å; F322-Q326 HydrophobicContact CZ-CG 4.12Å; F322-Q326 WeakPolarHBondContact O-CB 3.39Å; F322-Q326 WeakPolarHBondContact O-CG 3.36Å; F322-Q326 PolarHBondContact O-N 3.49Å; K324-Q326 PolarHBondContact O-N 3.05Å |
| 327 | R | 88.7 | Confident | 74.4 | Confident | 161 Ų | 161 | 116.8 Ų | 116.8 | 61% | 0.608 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -91.9 | -24.2 | 172.9 | -67.1 | -177 | -150.2 | 112.1 | -4.7 | 113.7 | Q323 K324 W325 | Q323-R327 WeakPolarHBondContact O-CG 3.47Å; Q323-R327 PolarHBondContact O-N 3.26Å; K324-R327 PolarHBondContact O-N 2.65Å; K324-R327 VanDerWaalsContact O-N 3.13Å; W325-R327 PolarHBondContact O-N 3.43Å; W325-R327 VanDerWaalsContact O-N 3.11Å |
| 328 | M | 86.2 | Confident | 72 | Confident | 148 Ų | 148 | 118.3 Ų | 118.3 | 73% | 0.729 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -87.4 | -28.3 | 177.9 | -67 | -176.4 | -55.7 | 0 | 0 | 112.1 | K324 W325 | K324-M328 WeakPolarHBondContact O-CG 3.3Å; K324-M328 PolarHBondContact O-N 2.64Å; K324-M328 VanDerWaalsContact O-N 3.08Å; W325-M328 PolarHBondContact O-N 2.91Å |
| 329 | M | 79.8 | Confident | 69.4 | Low | 89 Ų | 89 | 121.8 Ų | 121.8 | 44% | 0.438 | 61% | 0.607 | S | S | . | * | S | Bend | trans | -60 | 135.3 | 165.9 | -70.1 | -167.7 | 81 | 0 | 0 | 109.9 | W325 Q331 | W325-M329 HydrophobicContact CD2-CG 4.28Å; W325-M329 HydrophobicContact CD2-SD 4.03Å; W325-M329 VanDerWaalsContact CE2-SD 3.57Å; W325-M329 HydrophobicContact CE3-SD 4.14Å; W325-M329 HydrophobicContact CH2-CE 4.46Å; W325-M329 HydrophobicContact CH2-SD 3.45Å; W325-M329 WeakPolarHBondContact CH2-SD 3.49Å; W325-M329 HydrophobicContact CZ2-CE 4.16Å; W325-M329 HydrophobicContact CZ2-CG 4.27Å; W325-M329 HydrophobicContact CZ2-SD 3.3Å; W325-M329 WeakPolarHBondContact CZ2-SD 3.42Å; W325-M329 HydrophobicContact CZ3-SD 3.87Å; W325-M329 WeakPolarHBondContact O-CG 3.45Å; W325-M329 PolarHBondContact O-N 3.42Å; M329-Q331 PolarHBondContact O-N 3.27Å; M329-Q331 VanDerWaalsContact O-N 3.13Å |
| 330 | P | 63.4 | Low | 66.6 | Low | 117 Ų | 117 | 130.5 Ų | 130.5 | 76% | 0.76 | 63% | 0.634 | S | S | * | * | trans | -53 | 122.3 | 164.4 | -24.6 | 34.4 | 0 | 0 | 0 | 109.5 | E332 | P330-E332 PolarHBondContact O-N 3.38Š| ||
| 331 | Q | 56.9 | Low | 64.2 | Low | 162 Ų | 162 | 141.1 Ų | 141.1 | 76% | 0.757 | 67% | 0.673 | S | S | * | * | trans | -69 | 81.8 | 163.4 | -75.9 | -75.8 | -50.8 | 0 | 0 | 106.9 | M329 A333 | M329-Q331 PolarHBondContact O-N 3.27Å; M329-Q331 VanDerWaalsContact O-N 3.13Å; Q331-A333 PolarHBondContact O-N 3.4Å | ||
| 332 | E | 52.3 | Low | 61.5 | Low | 173 Ų | 173 | 146.1 Ų | 146.1 | 81% | 0.808 | 69% | 0.691 | S | S | * | * | trans | -54.7 | 116.1 | 175 | -179.5 | 162.8 | -145.8 | 0 | 0 | 107.6 | P330 T334 | P330-E332 PolarHBondContact O-N 3.38Å; E332-T334 VanDerWaalsContact C-N 3.26Å; E332-T334 PolarHBondContact O-N 3.49Å | ||
| 333 | A | 44.5 | Very low | 59 | Low | 86 Ų | 86 | 152.2 Ų | 152.2 | 71% | 0.711 | 71% | 0.711 | S | S | * | * | trans | -72.8 | 86.1 | -163.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | Q331 R335 | Q331-A333 PolarHBondContact O-N 3.4Å; A333-R335 PolarHBondContact O-N 2.86Å | ||
| 334 | T | 44.3 | Very low | 56.5 | Low | 129 Ų | 129 | 157.6 Ų | 157.6 | 79% | 0.791 | 73% | 0.733 | S | S | * | * | trans | -62.2 | 75.6 | 165.9 | 47.2 | 0 | 0 | 0 | 0 | 108.2 | E332 Q336 | E332-T334 VanDerWaalsContact C-N 3.26Å; E332-T334 PolarHBondContact O-N 3.49Å; T334-Q336 PolarHBondContact O-N 3.13Å | ||
| 335 | R | 38.4 | Very low | 54.1 | Low | 233 Ų | 233 | 157 Ų | 157 | 88% | 0.879 | 75% | 0.75 | S | S | * | * | trans | -47.5 | 105 | 175.4 | -83.1 | -175.8 | 162.4 | -152.7 | -3.2 | 106.5 | A333 P337 | A333-R335 PolarHBondContact O-N 2.86Å; R335-P337 VanDerWaalsContact O-N 3.12Å | ||
| 336 | Q | 42.1 | Very low | 51.5 | Low | 176 Ų | 176 | 156.6 Ų | 156.6 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | trans | -51.7 | 128.1 | -179.1 | -67.7 | -170 | 10.8 | 0 | 0 | 107.1 | T334 S338 | T334-Q336 PolarHBondContact O-N 3.13Å; Q336-S338 PolarHBondContact O-N 3.08Å | ||
| 337 | P | 40.1 | Very low | 49.3 | Very low | 123 Ų | 123 | 158.1 Ų | 158.1 | 80% | 0.799 | 79% | 0.788 | S | S | * | * | trans | -68.1 | 85.5 | 178.9 | 26.4 | -33.1 | 0 | 0 | 0 | 107.6 | R335 K339 | R335-P337 VanDerWaalsContact O-N 3.12Å; P337-K339 PolarHBondContact O-N 3.02Å | ||
| 338 | S | 45.1 | Very low | 47.1 | Very low | 109 Ų | 109 | 154.1 Ų | 154.1 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | trans | -49.9 | 119.1 | -176.2 | 177.9 | 0 | 0 | 0 | 0 | 107.3 | Q336 R340 | Q336-S338 PolarHBondContact O-N 3.08Å; S338-R340 VanDerWaalsContact C-N 3.26Å; S338-R340 PolarHBondContact O-N 2.91Å | ||
| 339 | K | 39.5 | Very low | 45.1 | Very low | 203 Ų | 203 | 153 Ų | 153 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | trans | -62.6 | 86.8 | -163 | -70.1 | 178.3 | 179.1 | 174.4 | 0 | 109.7 | P337 R341 | P337-K339 PolarHBondContact O-N 3.02Å; K339-R341 VanDerWaalsContact C-N 3.33Å; K339-R341 PolarHBondContact O-N 3.4Å | ||
| 340 | R | 34.1 | Very low | 43.1 | Very low | 236 Ų | 236 | 154.2 Ų | 154.2 | 89% | 0.891 | 80% | 0.803 | S | S | * | * | trans | -61.3 | 92.9 | -173.9 | 177.3 | 177.3 | 162.7 | -173.8 | -5.9 | 108.5 | S338 K342 | S338-R340 VanDerWaalsContact C-N 3.26Å; S338-R340 PolarHBondContact O-N 2.91Å; R340-K342 PolarHBondContact O-N 3.23Å; R340-K342 VanDerWaalsContact O-N 3.08Å | ||
| 341 | R | 41.8 | Very low | 42.2 | Very low | 228 Ų | 228 | 157.6 Ų | 157.6 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | trans | -45.4 | 117.2 | -173.9 | -169.9 | 174.5 | 79.4 | 174.4 | 6 | 109.3 | K339 R343 | K339-R341 VanDerWaalsContact C-N 3.33Å; K339-R341 PolarHBondContact O-N 3.4Å; R341-R343 VanDerWaalsContact C-N 3.31Å; R341-R343 PolarHBondContact O-N 3.45Å | ||
| 342 | K | 36.2 | Very low | 41.3 | Very low | 210 Ų | 210 | 153.3 Ų | 153.3 | 91% | 0.913 | 81% | 0.809 | S | S | * | * | trans | -51.6 | 84.8 | -167.5 | -168.5 | 176.4 | -175.7 | 177.6 | 0 | 111.8 | R340 K344 | R340-K342 PolarHBondContact O-N 3.23Å; R340-K342 VanDerWaalsContact O-N 3.08Å; K342-K344 PolarHBondContact O-N 3.35Å | ||
| 343 | R | 41.5 | Very low | 40.6 | Very low | 236 Ų | 236 | 149.4 Ų | 149.4 | 89% | 0.891 | 81% | 0.806 | S | S | * | * | trans | -83.3 | 101.3 | -173 | -152.7 | 169.6 | -173.9 | 164 | 0 | 107.6 | R341 G345 | R341-R343 VanDerWaalsContact C-N 3.31Å; R341-R343 PolarHBondContact O-N 3.45Å; R343-G345 PolarHBondContact O-N 3.41Å | ||
| 344 | K | 37.1 | Very low | 40.4 | Very low | 188 Ų | 188 | 152.5 Ų | 152.5 | 82% | 0.817 | 81% | 0.81 | S | S | * | * | trans | -49.1 | 123.3 | -172.9 | -166.8 | 178.4 | -178.6 | -175.3 | 0 | 111.1 | K342 S346 | K342-K344 PolarHBondContact O-N 3.35Å; K344-S346 PolarHBondContact O-OG 3.25Å | ||
| 345 | G | 40.7 | Very low | 40.2 | Very low | 71 Ų | 71 | 152.7 Ų | 152.7 | 73% | 0.732 | 81% | 0.806 | S | S | * | * | trans | -59.6 | 141.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | R343 | R343-G345 PolarHBondContact O-N 3.41Š| ||
| 346 | S | 37.6 | Very low | 40.3 | Very low | 122 Ų | 122 | 146.4 Ų | 146.4 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | trans | -124 | 96.9 | -174.7 | -59.4 | 0 | 0 | 0 | 0 | 109.8 | K344 | K344-S346 PolarHBondContact O-OG 3.25Š| ||
| 347 | S | 44.7 | Very low | 40.1 | Very low | 120 Ų | 120 | 142.7 Ų | 142.7 | 84% | 0.839 | 79% | 0.787 | S | S | * | * | trans | -168.2 | 128.7 | 174.1 | 179.7 | 0 | 0 | 0 | 0 | 107 | ||||
| 348 | A | 43.3 | Very low | 40.2 | Very low | 77 Ų | 77 | 147.9 Ų | 147.9 | 64% | 0.636 | 79% | 0.791 | S | S | * | * | cis | -154.3 | -164.8 | -11.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 349 | T | 42.8 | Very low | 40 | Very low | 125 Ų | 125 | 149.1 Ų | 149.1 | 77% | 0.767 | 80% | 0.795 | S | S | * | * | trans | 63 | 101.6 | 152.9 | 42 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 350 | T | 38.7 | Very low | 40.3 | Very low | 114 Ų | 114 | 143.5 Ų | 143.5 | 70% | 0.699 | 78% | 0.781 | S | S | * | * | 80.9 | 135.5 | 129.3 | -7.3 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 351 | E | 43.7 | Very low | 40.6 | Very low | 189 Ų | 189 | 141.2 Ų | 141.2 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | trans | 63.8 | 137.8 | 161.3 | -42.9 | -169 | -172.3 | 0 | 0 | 118.5 | ||||
| 352 | G | 37.9 | Very low | 40.4 | Very low | 72 Ų | 72 | 140.5 Ų | 140.5 | 74% | 0.742 | 78% | 0.775 | S | S | * | * | cis | 179.1 | 154.4 | -8.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 353 | A | 39.5 | Very low | 40.5 | Very low | 91 Ų | 91 | 138.8 Ų | 138.8 | 75% | 0.752 | 77% | 0.767 | S | S | * | * | trans | 66.1 | 132 | 165.2 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 354 | N | 39.4 | Very low | 40.4 | Very low | 150 Ų | 150 | 134.7 Ų | 134.7 | 80% | 0.802 | 76% | 0.758 | S | S | * | * | trans | 70.7 | 140.4 | 139.2 | -69.4 | -12.2 | 0 | 0 | 0 | 122.1 | ||||
| 355 | N | 40.1 | Very low | 40.7 | Very low | 133 Ų | 133 | 130.3 Ų | 130.3 | 71% | 0.711 | 75% | 0.751 | S | S | * | * | cis | -162.7 | 165 | -19.1 | -157.2 | -2.1 | 0 | 0 | 0 | 112.6 | ||||
| 356 | T | 41 | Very low | 40.3 | Very low | 102 Ų | 102 | 132.5 Ų | 132.5 | 63% | 0.626 | 75% | 0.752 | S | S | * | * | trans | 61.7 | 98.7 | 150.4 | 18.1 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 357 | S | 37.2 | Very low | 40.3 | Very low | 97 Ų | 97 | 134.5 Ų | 134.5 | 68% | 0.678 | 75% | 0.752 | S | S | * | * | 71 | 159.2 | 129 | 79.9 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 358 | R | 42.8 | Very low | 40 | Very low | 232 Ų | 232 | 133.8 Ų | 133.8 | 88% | 0.875 | 74% | 0.744 | S | S | * | * | cis | -138.1 | 172.4 | 21.4 | -64.1 | 178.3 | -178.1 | 178.4 | 1.1 | 113.9 | ||||
| 359 | T | 40.2 | Very low | 39.7 | Very low | 136 Ų | 136 | 138 Ų | 138 | 83% | 0.834 | 76% | 0.755 | S | S | * | * | trans | -61.2 | 166.6 | 178 | 54.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 360 | S | 45.1 | Very low | 39.1 | Very low | 84 Ų | 84 | 140.7 Ų | 140.7 | 59% | 0.587 | 76% | 0.759 | S | S | * | * | 176.1 | 138.8 | 57.1 | -178.3 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 361 | K | 40.6 | Very low | 39 | Very low | 188 Ų | 188 | 140.5 Ų | 140.5 | 82% | 0.817 | 76% | 0.762 | S | S | * | * | trans | 57.5 | 145.3 | 151.2 | -66.7 | 168 | -169.7 | 171.9 | 0 | 118.1 | ||||
| 362 | R | 38.7 | Very low | 38.8 | Very low | 214 Ų | 214 | 137.9 Ų | 137.9 | 81% | 0.808 | 75% | 0.75 | S | S | * | * | cis | -165.8 | 149.1 | 18.8 | -133.9 | 175.6 | -175.5 | 176.8 | 1.6 | 109.7 | ||||
| 363 | K | 37.3 | Very low | 38.5 | Very low | 174 Ų | 174 | 141.9 Ų | 141.9 | 76% | 0.757 | 75% | 0.749 | S | S | * | * | trans | 66.1 | 147.6 | 159.2 | -67.1 | -172.1 | 174.7 | -163.8 | 0 | 118.1 | ||||
| 364 | Q | 39 | Very low | 38.3 | Very low | 149 Ų | 149 | 145.7 Ų | 145.7 | 70% | 0.696 | 76% | 0.755 | S | S | * | * | cis | -167.5 | 120.8 | -12.8 | 165.2 | 166.1 | -14.6 | 0 | 0 | 111.5 | ||||
| 365 | S | 43.6 | Very low | 38.2 | Very low | 96 Ų | 96 | 142.6 Ų | 142.6 | 67% | 0.671 | 75% | 0.75 | S | S | * | * | trans | 39.3 | 156.3 | 151.6 | 66.3 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 366 | P | 33.9 | Very low | 38.2 | Very low | 118 Ų | 118 | 144.6 Ų | 144.6 | 77% | 0.766 | 76% | 0.755 | S | S | * | * | cis | -136.8 | 157.6 | -41.1 | 38.2 | -21.7 | 0 | 0 | 0 | 114.6 | ||||
| 367 | I | 37.8 | Very low | 38.4 | Very low | 164 Ų | 164 | 145.7 Ų | 145.7 | 84% | 0.841 | 76% | 0.764 | S | S | * | * | trans | -115.9 | 131.8 | 164.8 | -67.3 | 167.8 | 0 | 0 | 0 | 104.2 | ||||
| 368 | P | 36.5 | Very low | 38.6 | Very low | 105 Ų | 105 | 144.2 Ų | 144.2 | 68% | 0.682 | 76% | 0.764 | S | S | * | * | -160.8 | 158.5 | 82.6 | 40.9 | -19.6 | 0 | 0 | 0 | 119.1 | |||||
| 369 | L | 36.9 | Very low | 38.6 | Very low | 164 Ų | 164 | 140.8 Ų | 140.8 | 86% | 0.859 | 76% | 0.763 | S | S | * | * | -178 | 169 | 102.6 | -99.2 | 165 | 0 | 0 | 0 | 112.2 | |||||
| 370 | Q | 32.1 | Very low | 39.2 | Very low | 183 Ų | 183 | 140.6 Ų | 140.6 | 86% | 0.855 | 76% | 0.761 | S | S | * | * | trans | -117.1 | 145 | -177.4 | -62 | 169.9 | -53.5 | 0 | 0 | 109.8 | ||||
| 371 | S | 36.6 | Very low | 39.4 | Very low | 109 Ų | 109 | 143.6 Ų | 143.6 | 76% | 0.762 | 77% | 0.768 | S | S | * | * | trans | -146.1 | 112.4 | 157.4 | -164.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 372 | H | 39.3 | Very low | 40.3 | Very low | 135 Ų | 135 | 142.2 Ų | 142.2 | 63% | 0.625 | 77% | 0.768 | S | S | * | * | trans | 25.9 | 99.2 | 141.2 | -57.6 | -74 | 0 | 0 | 0 | 120.2 | I374 | H372-I374 PolarHBondContact O-N 2.93Š| ||
| 373 | H | 30.2 | Very low | 40.9 | Very low | 156 Ų | 156 | 137.5 Ų | 137.5 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | trans | -4.4 | 107.8 | 133.1 | 38.3 | -105.4 | 0 | 0 | 0 | 117.8 | ||||
| 374 | I | 36.3 | Very low | 42.5 | Very low | 171 Ų | 171 | 131.7 Ų | 131.7 | 88% | 0.877 | 75% | 0.752 | S | S | * | * | trans | -118 | 153.6 | 145.2 | -108.9 | 73.7 | 0 | 0 | 0 | 107.4 | H372 | H372-I374 PolarHBondContact O-N 2.93Š| ||
| 375 | A | 37.8 | Very low | 43.4 | Very low | 84 Ų | 84 | 133 Ų | 133 | 69% | 0.694 | 76% | 0.758 | S | S | * | * | trans | -103.2 | 142.1 | -166.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 376 | Q | 39.1 | Very low | 44 | Very low | 175 Ų | 175 | 132.4 Ų | 132.4 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | trans | 44.3 | 106.6 | 152 | -51 | -66.5 | 32.5 | 0 | 0 | 119.1 | ||||
| 377 | P | 44.8 | Very low | 45 | Very low | 125 Ų | 125 | 133.2 Ų | 133.2 | 81% | 0.812 | 76% | 0.755 | S | S | * | * | trans | -71.6 | 142.1 | 149.7 | 33 | -31.7 | 0 | 0 | 0 | 109.7 | ||||
| 378 | G | 41.8 | Very low | 45.8 | Very low | 66 Ų | 66 | 133.5 Ų | 133.5 | 68% | 0.68 | 76% | 0.757 | S | S | * | * | trans | -91.7 | 135 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | V380 | G378-V380 PolarHBondContact O-N 3.31Š| ||
| 379 | D | 42.7 | Very low | 46.6 | Very low | 161 Ų | 161 | 136.8 Ų | 136.8 | 86% | 0.861 | 77% | 0.765 | S | S | * | * | trans | -67.7 | 113.7 | 174.3 | -68.1 | -37.8 | 0 | 0 | 0 | 110.4 | M381 | D379-M381 PolarHBondContact O-N 2.98Š| ||
| 380 | V | 54 | Low | 47.2 | Very low | 131 Ų | 131 | 132.8 Ų | 132.8 | 79% | 0.794 | 76% | 0.764 | S | S | * | * | trans | -85.3 | 104.6 | 174.6 | 179.5 | 0 | 0 | 0 | 0 | 109.1 | G378 | G378-V380 PolarHBondContact O-N 3.31Š| ||
| 381 | M | 48.7 | Very low | 47.7 | Very low | 147 Ų | 147 | 128 Ų | 128 | 72% | 0.724 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 118.4 | 168.8 | -62 | -155.6 | -54.6 | 0 | 0 | 110 | D379 | D379-M381 PolarHBondContact O-N 2.98Š|
| 382 | I | 59.7 | Low | 48 | Very low | 160 Ų | 160 | 130.4 Ų | 130.4 | 82% | 0.821 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -81 | 117.5 | 172.7 | -60 | 176.7 | 0 | 0 | 0 | 108.1 | ||
| 383 | V | 51.9 | Low | 48.1 | Very low | 114 Ų | 114 | 134.2 Ų | 134.2 | 69% | 0.691 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 127.7 | 173.4 | 179.2 | 0 | 0 | 0 | 0 | 108.7 | E385 | V383-E385 PolarHBondContact O-N 3.25Š|
| 384 | G | 69 | Low | 49.1 | Very low | 52 Ų | 52 | 129.8 Ų | 129.8 | 54% | 0.536 | 78% | 0.78 | S | S | . | * | P | Polyproline II helix | trans | -72.2 | 121.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | R399 | G384-R399 PolarHBondContact O-NH1 2.6Š|
| 385 | E | 59.5 | Low | 49.9 | Very low | 176 Ų | 176 | 129.9 Ų | 129.9 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 133.4 | 172.7 | -73.7 | -67.8 | 167.9 | 0 | 0 | 111 | V383 | V383-E385 PolarHBondContact O-N 3.25Š|
| 386 | P | 55.3 | Low | 51 | Low | 85 Ų | 85 | 134.5 Ų | 134.5 | 55% | 0.552 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 139 | 176.9 | 31 | -33.1 | 0 | 0 | 0 | 111.3 | L388 | P386-L388 PolarHBondContact O-N 3.18Š|
| 387 | T | 55.3 | Low | 51.8 | Low | 135 Ų | 135 | 132.1 Ų | 132.1 | 83% | 0.828 | 78% | 0.782 | S | S | * | * | trans | -73.7 | 110.8 | 178.1 | -63 | 0 | 0 | 0 | 0 | 110.7 | M389 | T387-M389 VanDerWaalsContact C-N 3.33Å; T387-M389 PolarHBondContact O-N 3.34Å | ||
| 388 | L | 54.3 | Low | 52.9 | Low | 169 Ų | 169 | 134.8 Ų | 134.8 | 89% | 0.885 | 78% | 0.784 | S | S | * | * | trans | -79.7 | 66.8 | -175.7 | -171.1 | 72 | 0 | 0 | 0 | 112.8 | P386 | P386-L388 PolarHBondContact O-N 3.18Š| ||
| 389 | M | 53.5 | Low | 53.6 | Low | 174 Ų | 174 | 138.6 Ų | 138.6 | 86% | 0.857 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -162.4 | 118.8 | 167.2 | -152.1 | 77.3 | 68.4 | 0 | 0 | 113.6 | T387 | T387-M389 VanDerWaalsContact C-N 3.33Å; T387-M389 PolarHBondContact O-N 3.34Å |
| 390 | G | 48.9 | Very low | 54.5 | Low | 80 Ų | 80 | 138.9 Ų | 138.9 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | trans | 94.8 | 144.8 | 166.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 391 | G | 42.2 | Very low | 54.6 | Low | 84 Ų | 84 | 139.1 Ų | 139.1 | 87% | 0.866 | 77% | 0.774 | S | S | * | * | trans | -79.5 | 178.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 392 | D | 43.3 | Very low | 55.2 | Low | 158 Ų | 158 | 138.2 Ų | 138.2 | 85% | 0.845 | 78% | 0.777 | S | S | * | * | cis | -131.9 | 168 | 26.9 | -162.9 | 8.2 | 0 | 0 | 0 | 113.1 | G394 | D392-G394 PolarHBondContact O-N 2.91Š| ||
| 393 | F | 41.7 | Very low | 55.1 | Low | 216 Ų | 216 | 141.6 Ų | 141.6 | 95% | 0.947 | 78% | 0.779 | S | S | * | * | trans | -76.9 | 109.2 | -177 | -86.1 | -102.1 | 0 | 0 | 0 | 112.5 | ||||
| 394 | G | 52 | Low | 55.4 | Low | 62 Ų | 62 | 143.4 Ų | 143.4 | 64% | 0.639 | 78% | 0.784 | S | S | * | * | trans | -125.4 | 136.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | D392 E396 | D392-G394 PolarHBondContact O-N 2.91Å; G394-E396 PolarHBondContact O-N 3.04Å | ||
| 395 | D | 53.4 | Low | 54.8 | Low | 174 Ų | 174 | 149 Ų | 149 | 93% | 0.93 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -82.1 | 32.8 | -162.8 | -133.4 | 3.2 | 0 | 0 | 0 | 114.4 | ||
| 396 | E | 59.9 | Low | 54.2 | Low | 181 Ų | 181 | 147.7 Ų | 147.7 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | trans | -131 | 12.9 | -162.1 | -59.3 | -92.1 | 141.2 | 0 | 0 | 115 | G394 E398 | G394-E396 PolarHBondContact O-N 3.04Å; E396-E398 PolarHBondContact O-N 3.22Å | ||
| 397 | D | 56.7 | Low | 53.8 | Low | 124 Ų | 124 | 149.2 Ų | 149.2 | 66% | 0.663 | 80% | 0.803 | S | S | * | * | trans | -75.5 | 55.3 | -177 | -167.8 | 45.4 | 0 | 0 | 0 | 114.3 | R399 | D397-R399 PolarHBondContact O-N 3.15Å; D397-R399 IonicContact OD2-NE 3.91Å; D397-R399 PolarHBondContact OD2-NE 2.75Å; D397-R399 IonicContact OD2-NH2 3.21Å | ||
| 398 | E | 66.5 | Low | 53.1 | Low | 182 Ų | 182 | 152.1 Ų | 152.1 | 85% | 0.85 | 81% | 0.807 | S | S | * | * | trans | -72.2 | 95.9 | 172.4 | -74.9 | -156 | 159.7 | 0 | 0 | 111.6 | E396 L400 | E396-E398 PolarHBondContact O-N 3.22Å; E398-L400 PolarHBondContact O-N 3.03Å | ||
| 399 | R | 57.5 | Low | 52.4 | Low | 146 Ų | 146 | 154 Ų | 154 | 55% | 0.551 | 80% | 0.804 | S | S | * | * | trans | -61.4 | 114.5 | -177.9 | -64.9 | -178.7 | 174.6 | -131.9 | -7.9 | 113.1 | G384 D397 I401 | G384-R399 PolarHBondContact O-NH1 2.6Å; D397-R399 PolarHBondContact O-N 3.15Å; D397-R399 IonicContact OD2-NE 3.91Å; D397-R399 PolarHBondContact OD2-NE 2.75Å; D397-R399 IonicContact OD2-NH2 3.21Å; R399-I401 PolarHBondContact O-N 2.92Å | ||
| 400 | L | 60.2 | Low | 52 | Low | 166 Ų | 166 | 150.8 Ų | 150.8 | 87% | 0.869 | 79% | 0.79 | S | S | * | * | trans | -65.4 | 100.2 | 178.1 | -65.8 | 174.4 | 0 | 0 | 0 | 112.9 | E398 T402 | E398-L400 PolarHBondContact O-N 3.03Å; L400-T402 PolarHBondContact O-N 3.43Å; L400-T402 VanDerWaalsContact O-N 3.15Å | ||
| 401 | I | 56.2 | Low | 52.2 | Low | 136 Ų | 136 | 150.1 Ų | 150.1 | 70% | 0.697 | 78% | 0.777 | S | S | * | * | trans | -77.1 | 98.5 | 173.4 | -55.6 | 177.6 | 0 | 0 | 0 | 109.9 | R399 | R399-I401 PolarHBondContact O-N 2.92Š| ||
| 402 | T | 63 | Low | 52.8 | Low | 129 Ų | 129 | 151.6 Ų | 151.6 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | trans | -79.7 | 119.8 | 174.2 | -59.2 | 0 | 0 | 0 | 0 | 110.5 | L400 | L400-T402 PolarHBondContact O-N 3.43Å; L400-T402 VanDerWaalsContact O-N 3.15Å | ||
| 403 | R | 56.1 | Low | 53.3 | Low | 230 Ų | 230 | 147.4 Ų | 147.4 | 87% | 0.868 | 76% | 0.756 | S | S | * | * | trans | -77.7 | 121.8 | 168.5 | -71.4 | -177 | 118.7 | 122.4 | 5.6 | 109.7 | E405 | R403-E405 PolarHBondContact O-N 3.48Š| ||
| 404 | L | 59.5 | Low | 53.8 | Low | 153 Ų | 153 | 140.1 Ų | 140.1 | 80% | 0.801 | 74% | 0.736 | S | S | * | * | trans | -75.5 | 111.2 | 169.5 | -171 | 71.6 | 0 | 0 | 0 | 109.6 | ||||
| 405 | E | 55.1 | Low | 53.8 | Low | 168 Ų | 168 | 141 Ų | 141 | 79% | 0.785 | 74% | 0.737 | S | S | * | * | trans | -90.9 | 103.7 | 171.3 | 62.9 | -179.2 | 164.9 | 0 | 0 | 111.3 | R403 T407 | R403-E405 PolarHBondContact O-N 3.48Å; E405-T407 PolarHBondContact O-N 3.46Å | ||
| 406 | N | 47.9 | Very low | 53.7 | Low | 149 Ų | 149 | 136.6 Ų | 136.6 | 80% | 0.797 | 73% | 0.725 | S | S | * | * | trans | -69.3 | 90.2 | 175.7 | -76.2 | -5.7 | 0 | 0 | 0 | 110.8 | ||||
| 407 | T | 47.6 | Very low | 53.2 | Low | 118 Ų | 118 | 132.4 Ų | 132.4 | 72% | 0.724 | 72% | 0.721 | S | S | * | * | trans | -84.4 | 144 | 161.7 | 28.1 | 0 | 0 | 0 | 0 | 110.3 | E405 | E405-T407 PolarHBondContact O-N 3.46Š| ||
| 408 | Q | 40.2 | Very low | 52.7 | Low | 195 Ų | 195 | 133.8 Ų | 133.8 | 91% | 0.911 | 73% | 0.729 | S | S | * | * | trans | 65.8 | 83.8 | 178.3 | -55.1 | -174.7 | -1.3 | 0 | 0 | 116.4 | ||||
| 409 | Y | 39.8 | Very low | 51.6 | Low | 210 Ų | 210 | 130.8 Ų | 130.8 | 82% | 0.824 | 73% | 0.728 | S | S | * | * | trans | -101.6 | 94.2 | 153.5 | -169.3 | -85.7 | 0 | 0 | 0 | 108.7 | A411 | Y409-A411 HydrophobicContact CD1-CB 4.38Å; Y409-A411 HydrophobicContact CE1-CB 4.15Å; Y409-A411 PolarHBondContact O-N 3Å | ||
| 410 | D | 44.3 | Very low | 50.6 | Low | 106 Ų | 106 | 127.6 Ų | 127.6 | 57% | 0.567 | 74% | 0.74 | S | S | * | * | trans | -85.3 | 105.5 | 171.4 | -170.5 | -15.3 | 0 | 0 | 0 | 110.1 | V412 | D410-V412 PolarHBondContact O-N 3.04Å; D410-V412 WeakPolarHBondContact OD1-CB 3.47Å; D410-V412 WeakPolarHBondContact OD1-CG2 3.42Å; D410-V412 PolarHBondContact OD1-N 3.49Å | ||
| 411 | A | 53.6 | Low | 49.5 | Very low | 66 Ų | 66 | 126 Ų | 126 | 55% | 0.545 | 74% | 0.737 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.3 | -11.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114 | Y409 | Y409-A411 HydrophobicContact CD1-CB 4.38Å; Y409-A411 HydrophobicContact CE1-CB 4.15Å; Y409-A411 PolarHBondContact O-N 3Å |
| 412 | V | 55.1 | Low | 48.6 | Very low | 115 Ų | 115 | 128.4 Ų | 128.4 | 70% | 0.697 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | -37.6 | -179.7 | -173.9 | 0 | 0 | 0 | 0 | 111.3 | D410 A414 A415 | D410-V412 PolarHBondContact O-N 3.04Å; D410-V412 WeakPolarHBondContact OD1-CB 3.47Å; D410-V412 WeakPolarHBondContact OD1-CG2 3.42Å; D410-V412 PolarHBondContact OD1-N 3.49Å; V412-A414 PolarHBondContact O-N 2.93Å; V412-A415 PolarHBondContact O-N 3.47Å |
| 413 | A | 53.5 | Low | 47.3 | Very low | 70 Ų | 70 | 126 Ų | 126 | 58% | 0.579 | 74% | 0.74 | S | S | * | * | H | α-helix | trans | -66.5 | -38.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | A415 A416 | A413-A415 VanDerWaalsContact C-N 3.26Å; A413-A415 PolarHBondContact O-N 3.11Å; A413-A416 PolarHBondContact O-N 3.35Å |
| 414 | A | 51 | Low | 46.3 | Very low | 63 Ų | 63 | 120.2 Ų | 120.2 | 52% | 0.521 | 74% | 0.736 | S | S | . | * | H | α-helix | trans | -67.5 | -22.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | V412 | V412-A414 PolarHBondContact O-N 2.93Å |
| 415 | A | 52.5 | Low | 45.2 | Very low | 80 Ų | 80 | 120.6 Ų | 120.6 | 66% | 0.661 | 73% | 0.733 | S | S | * | * | H | α-helix | trans | -77.8 | -24.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | V412 A413 | V412-A415 PolarHBondContact O-N 3.47Å; A413-A415 VanDerWaalsContact C-N 3.26Å; A413-A415 PolarHBondContact O-N 3.11Å |
| 416 | A | 52.4 | Low | 44.7 | Very low | 82 Ų | 82 | 119.3 Ų | 119.3 | 68% | 0.678 | 73% | 0.73 | S | S | * | * | H | α-helix | trans | -81.6 | -23.7 | -174 | 0 | 0 | 0 | 0 | 0 | 114 | A413 N418 | A413-A416 PolarHBondContact O-N 3.35Å; A416-N418 VanDerWaalsContact C-N 3.29Å; A416-N418 PolarHBondContact O-N 2.89Å |
| 417 | A | 48.7 | Very low | 44.1 | Very low | 92 Ų | 92 | 118.7 Ų | 118.7 | 76% | 0.76 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | -3.1 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 418 | N | 46.6 | Very low | 43.8 | Very low | 154 Ų | 154 | 117.6 Ų | 117.6 | 82% | 0.824 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.9 | 24.2 | -164.6 | -143.3 | 32.9 | 0 | 0 | 0 | 114.4 | A416 | A416-N418 VanDerWaalsContact C-N 3.29Å; A416-N418 PolarHBondContact O-N 2.89Å |
| 419 | S | 43.1 | Very low | 43.7 | Very low | 119 Ų | 119 | 111.8 Ų | 111.8 | 83% | 0.832 | 72% | 0.716 | S | S | * | * | trans | -153.2 | 125.7 | 176.2 | -148.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 420 | G | 37.3 | Very low | 44 | Very low | 79 Ų | 79 | 108 Ų | 108 | 81% | 0.814 | 72% | 0.717 | S | S | * | * | trans | 132.7 | 55.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 421 | V | 36.3 | Very low | 43.7 | Very low | 133 Ų | 133 | 112.4 Ų | 112.4 | 81% | 0.806 | 73% | 0.732 | S | S | * | * | trans | -105.8 | 148.5 | 165.8 | -77.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 422 | M | 37.8 | Very low | 43.3 | Very low | 186 Ų | 186 | 115.1 Ų | 115.1 | 92% | 0.916 | 74% | 0.744 | S | S | * | * | trans | 74.5 | 141.5 | -179.6 | -59.7 | -153.9 | -112.8 | 0 | 0 | 116.2 | ||||
| 423 | A | 36 | Very low | 42.5 | Very low | 77 Ų | 77 | 113.1 Ų | 113.1 | 64% | 0.636 | 75% | 0.746 | S | S | * | * | cis | -165.9 | 162 | -11.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 424 | S | 34.3 | Very low | 41.9 | Very low | 110 Ų | 110 | 115.7 Ų | 115.7 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | trans | 70.6 | 163.9 | 155 | 80.3 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 425 | H | 37.5 | Very low | 41.3 | Very low | 160 Ų | 160 | 116.1 Ų | 116.1 | 74% | 0.741 | 77% | 0.77 | S | S | * | * | cis | -162 | 145 | 8.7 | -149.2 | -153.5 | 0 | 0 | 0 | 112.3 | ||||
| 426 | I | 43.5 | Very low | 40.7 | Very low | 142 Ų | 142 | 120.1 Ų | 120.1 | 73% | 0.728 | 78% | 0.781 | S | S | * | * | trans | 55.6 | 157.7 | 163.2 | 20.5 | 179 | 0 | 0 | 0 | 118.6 | ||||
| 427 | N | 36.3 | Very low | 39.9 | Very low | 136 Ų | 136 | 121.2 Ų | 121.2 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | cis | -149.1 | 170.1 | 11.5 | -158.3 | 12.2 | 0 | 0 | 0 | 114.3 | ||||
| 428 | S | 41.2 | Very low | 39.6 | Very low | 95 Ų | 95 | 122.6 Ų | 122.6 | 66% | 0.664 | 79% | 0.785 | S | S | * | * | trans | -15 | 146.7 | 165.9 | 57.6 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 429 | G | 37 | Very low | 39.3 | Very low | 72 Ų | 72 | 120.3 Ų | 120.3 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | cis | 103.3 | 154.2 | 24.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 430 | P | 45.4 | Very low | 39 | Very low | 130 Ų | 130 | 117.7 Ų | 117.7 | 84% | 0.844 | 78% | 0.779 | S | S | * | * | cis | -136.4 | -170.7 | 8.5 | 44.2 | -25.4 | 0 | 0 | 0 | 117.3 | ||||
| 431 | F | 39.8 | Very low | 39 | Very low | 200 Ų | 200 | 121.9 Ų | 121.9 | 88% | 0.877 | 78% | 0.781 | S | S | * | * | trans | -76.1 | -163.6 | 174.8 | -77 | -91.9 | 0 | 0 | 0 | 113.8 | ||||
| 432 | P | 45 | Very low | 39.1 | Very low | 123 Ų | 123 | 122.9 Ų | 122.9 | 80% | 0.799 | 78% | 0.78 | S | S | * | * | cis | -145.6 | 176.5 | 4.9 | 41.8 | -20.8 | 0 | 0 | 0 | 120.7 | ||||
| 433 | G | 38.1 | Very low | 38.9 | Very low | 72 Ų | 72 | 118.6 Ų | 118.6 | 74% | 0.742 | 77% | 0.769 | S | S | * | * | trans | 97.5 | 155.1 | 147 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 434 | S | 41.3 | Very low | 39 | Very low | 125 Ų | 125 | 120.3 Ų | 120.3 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | cis | -176.4 | 145.4 | -17.8 | 45.8 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 435 | G | 37.4 | Very low | 39.2 | Very low | 72 Ų | 72 | 120.3 Ų | 120.3 | 74% | 0.742 | 77% | 0.773 | S | S | * | * | cis | 140.7 | 107.7 | 2.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 436 | D | 40.4 | Very low | 39 | Very low | 164 Ų | 164 | 120.6 Ų | 120.6 | 88% | 0.877 | 78% | 0.779 | S | S | * | * | trans | -162.1 | 169.9 | 150.4 | -127.2 | -30.5 | 0 | 0 | 0 | 112.1 | ||||
| 437 | S | 35.6 | Very low | 38.5 | Very low | 105 Ų | 105 | 116.7 Ų | 116.7 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | trans | -142.5 | -173.1 | -170.4 | -71.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 438 | P | 41.6 | Very low | 38.5 | Very low | 121 Ų | 121 | 118.1 Ų | 118.1 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | cis | -138.7 | -163.1 | 5.6 | 44.3 | -24.8 | 0 | 0 | 0 | 115.6 | ||||
| 439 | A | 41.4 | Very low | 38.1 | Very low | 105 Ų | 105 | 118.1 Ų | 118.1 | 87% | 0.868 | 78% | 0.78 | S | S | * | * | trans | 75.3 | 131.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 440 | G | 36 | Very low | 37.9 | Very low | 65 Ų | 65 | 120.7 Ų | 120.7 | 67% | 0.67 | 79% | 0.787 | S | S | * | * | cis | 175.3 | 137.6 | -11.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 441 | I | 38 | Very low | 37.4 | Very low | 167 Ų | 167 | 118.2 Ų | 118.2 | 86% | 0.856 | 79% | 0.785 | S | S | * | * | trans | 27.8 | 122.2 | 144.2 | 41.4 | 172 | 0 | 0 | 0 | 118.8 | ||||
| 442 | I | 36.7 | Very low | 37 | Very low | 153 Ų | 153 | 112 Ų | 112 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | cis | -143.7 | 148.9 | 16 | -63.5 | -173.4 | 0 | 0 | 0 | 112.5 | ||||
| 443 | S | 35.2 | Very low | 36.5 | Very low | 97 Ų | 97 | 113.6 Ų | 113.6 | 68% | 0.678 | 78% | 0.78 | S | S | * | * | trans | -24 | 157 | 160.4 | -30.7 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 444 | S | 37.3 | Very low | 36.2 | Very low | 113 Ų | 113 | 117.1 Ų | 117.1 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | cis | 60.4 | 171.3 | 30.1 | -58.7 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 445 | P | 39.5 | Very low | 35.8 | Very low | 110 Ų | 110 | 118.5 Ų | 118.5 | 71% | 0.714 | 78% | 0.775 | S | S | * | * | cis | -114.3 | -179.8 | -7.9 | 24.3 | 1.2 | 0 | 0 | 0 | 111.3 | ||||
| 446 | L | 32.6 | Very low | 35.5 | Very low | 166 Ų | 166 | 121.5 Ų | 121.5 | 87% | 0.869 | 77% | 0.774 | S | S | * | * | 44.6 | 142.9 | 65.9 | -39.6 | 171.2 | 0 | 0 | 0 | 113.5 | |||||
| 447 | G | 32.8 | Very low | 35 | Very low | 59 Ų | 59 | 117.9 Ų | 117.9 | 61% | 0.608 | 76% | 0.762 | S | S | * | * | cis | 165.7 | -151.4 | 2.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 448 | L | 35.4 | Very low | 34.9 | Very low | 167 Ų | 167 | 120.4 Ų | 120.4 | 87% | 0.874 | 77% | 0.767 | S | S | * | * | trans | 71.3 | 154.1 | 174.3 | -67.7 | 82.2 | 0 | 0 | 0 | 117.5 | ||||
| 449 | S | 33.3 | Very low | 34.5 | Very low | 94 Ų | 94 | 123.7 Ų | 123.7 | 66% | 0.657 | 77% | 0.772 | S | S | * | * | cis | -176.7 | 151.9 | -35.6 | 57.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 450 | S | 33.3 | Very low | 34.3 | Very low | 127 Ų | 127 | 124.5 Ų | 124.5 | 89% | 0.888 | 77% | 0.768 | S | S | * | * | trans | 72.7 | 161.7 | 146 | -156.7 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 451 | G | 34.2 | Very low | 33.9 | Very low | 77 Ų | 77 | 129.8 Ų | 129.8 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | trans | 103.7 | 81.1 | 158.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 452 | G | 31.7 | Very low | 33.9 | Very low | 70 Ų | 70 | 130.2 Ų | 130.2 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | trans | -112.3 | 142.8 | 162.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 453 | N | 34.1 | Very low | 33.5 | Very low | 157 Ų | 157 | 130.5 Ų | 130.5 | 84% | 0.84 | 77% | 0.772 | S | S | * | * | trans | -167.8 | 135.8 | 148.7 | -111.4 | -17.3 | 0 | 0 | 0 | 114.9 | ||||
| 454 | M | 32.1 | Very low | 33.6 | Very low | 145 Ų | 145 | 133.4 Ų | 133.4 | 71% | 0.714 | 78% | 0.778 | S | S | * | * | trans | 48.4 | 134.3 | 143.7 | -54.7 | -148.2 | 82.5 | 0 | 0 | 123.3 | ||||
| 455 | L | 32.6 | Very low | 33.4 | Very low | 154 Ų | 154 | 133.9 Ų | 133.9 | 81% | 0.806 | 77% | 0.772 | S | S | * | * | trans | 64.3 | 133.5 | 149.9 | -59.8 | 158.6 | 0 | 0 | 0 | 116.1 | ||||
| 456 | N | 31.7 | Very low | 32.9 | Very low | 135 Ų | 135 | 133.2 Ų | 133.2 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | cis | -161.8 | 150.6 | 36.4 | -179.2 | 26.3 | 0 | 0 | 0 | 112.3 | ||||
| 457 | S | 30.8 | Very low | 33 | Very low | 88 Ų | 88 | 132.5 Ų | 132.5 | 62% | 0.615 | 77% | 0.766 | S | S | * | * | trans | -13.7 | 119.2 | 162.9 | -35.9 | 0 | 0 | 0 | 0 | 119 | ||||
| 458 | N | 31.7 | Very low | 33.1 | Very low | 159 Ų | 159 | 137.4 Ų | 137.4 | 85% | 0.85 | 77% | 0.773 | S | S | * | * | 168.8 | 108.8 | 118.2 | -87.6 | -25.7 | 0 | 0 | 0 | 113 | |||||
| 459 | Q | 34.8 | Very low | 33.1 | Very low | 190 Ų | 190 | 138.8 Ų | 138.8 | 89% | 0.888 | 77% | 0.772 | S | S | * | * | trans | -139.5 | 136.7 | 150.2 | -82.3 | -163.4 | -2.7 | 0 | 0 | 110.1 | ||||
| 460 | P | 36.2 | Very low | 33.1 | Very low | 122 Ų | 122 | 143.6 Ų | 143.6 | 79% | 0.792 | 78% | 0.776 | S | S | * | * | trans | -77.2 | 147.9 | 175.7 | 32.5 | -34.4 | 0 | 0 | 0 | 111.5 | ||||
| 461 | Q | 28.7 | Very low | 33.3 | Very low | 176 Ų | 176 | 142.2 Ų | 142.2 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | trans | -65 | 135.7 | 177.9 | -63.2 | 159.6 | -63.1 | 0 | 0 | 111.8 | ||||
| 462 | Q | 36.3 | Very low | 33.5 | Very low | 176 Ų | 176 | 141.5 Ų | 141.5 | 82% | 0.822 | 77% | 0.765 | S | S | * | * | trans | -128.8 | 93.1 | 151.5 | -71.8 | -163.3 | 2.1 | 0 | 0 | 109.7 | ||||
| 463 | Q | 29.2 | Very low | 33.7 | Very low | 159 Ų | 159 | 144.3 Ų | 144.3 | 74% | 0.743 | 77% | 0.771 | S | S | * | * | trans | -66.9 | 129.6 | 156.3 | -67.1 | 175.3 | -95.4 | 0 | 0 | 108 | ||||
| 464 | I | 37.2 | Very low | 34.1 | Very low | 158 Ų | 158 | 145.9 Ų | 145.9 | 81% | 0.81 | 78% | 0.775 | S | S | * | * | trans | -110.1 | 124.5 | 159.2 | -67 | -176.2 | 0 | 0 | 0 | 106.9 | ||||
| 465 | N | 32.7 | Very low | 34.4 | Very low | 122 Ų | 122 | 144.8 Ų | 144.8 | 65% | 0.652 | 78% | 0.782 | S | S | * | * | trans | -76.7 | 139.4 | -153.9 | -72.8 | -28.7 | 0 | 0 | 0 | 114.4 | L467 | N465-L467 PolarHBondContact O-N 3.13Š| ||
| 466 | S | 29.3 | Very low | 34.8 | Very low | 96 Ų | 96 | 143 Ų | 143 | 67% | 0.671 | 78% | 0.782 | S | S | * | * | trans | -47.6 | 123.9 | 146 | 52.5 | 0 | 0 | 0 | 0 | 110.4 | Q468 | S466-Q468 VanDerWaalsContact C-N 3.26Å; S466-Q468 PolarHBondContact O-N 2.83Å | ||
| 467 | L | 34.8 | Very low | 35.1 | Very low | 151 Ų | 151 | 140.5 Ų | 140.5 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | trans | -73.8 | 71.7 | -179.3 | -78.7 | 167.8 | 0 | 0 | 0 | 112.5 | N465 F469 | N465-L467 PolarHBondContact O-N 3.13Å; L467-F469 HydrophobicContact CB-CE2 4.46Å; L467-F469 PolarHBondContact O-N 2.97Å; L467-F469 VanDerWaalsContact O-N 3.17Å | ||
| 468 | Q | 34.3 | Very low | 35.3 | Very low | 163 Ų | 163 | 139.9 Ų | 139.9 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | trans | -70.3 | 105.4 | 164.6 | -75.3 | -160.7 | -0.3 | 0 | 0 | 110.1 | S466 R470 | S466-Q468 VanDerWaalsContact C-N 3.26Å; S466-Q468 PolarHBondContact O-N 2.83Å; Q468-R470 PolarHBondContact O-N 3.41Å | ||
| 469 | F | 36.7 | Very low | 36.1 | Very low | 195 Ų | 195 | 138 Ų | 138 | 86% | 0.855 | 79% | 0.792 | S | S | * | * | trans | -71 | 78 | 168.8 | -82.9 | -89.9 | 0 | 0 | 0 | 111.2 | L467 A471 | L467-F469 HydrophobicContact CB-CE2 4.46Å; L467-F469 PolarHBondContact O-N 2.97Å; L467-F469 VanDerWaalsContact O-N 3.17Å; F469-A471 PolarHBondContact O-N 3.03Å | ||
| 470 | R | 33.3 | Very low | 36.4 | Very low | 196 Ų | 196 | 135.6 Ų | 135.6 | 74% | 0.74 | 79% | 0.786 | S | S | * | * | trans | -92.2 | 83.4 | 169.9 | -175.2 | 174 | 175.4 | 159.3 | -2.7 | 110.3 | Q468 | Q468-R470 PolarHBondContact O-N 3.41Š| ||
| 471 | A | 36.9 | Very low | 36.6 | Very low | 97 Ų | 97 | 137 Ų | 137 | 80% | 0.802 | 78% | 0.781 | S | S | * | * | trans | -63.2 | 137.6 | 161.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | F469 | F469-A471 PolarHBondContact O-N 3.03Š| ||
| 472 | G | 37.4 | Very low | 37.1 | Very low | 62 Ų | 62 | 133 Ų | 133 | 64% | 0.639 | 77% | 0.773 | S | S | * | * | trans | -143.5 | 131.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 473 | P | 36.6 | Very low | 37.5 | Very low | 130 Ų | 130 | 133 Ų | 133 | 84% | 0.844 | 78% | 0.775 | S | S | * | * | trans | -82.8 | 142 | -171.6 | 32.6 | -34.7 | 0 | 0 | 0 | 112.1 | ||||
| 474 | M | 42.9 | Very low | 38.3 | Very low | 189 Ų | 189 | 130.1 Ų | 130.1 | 93% | 0.931 | 77% | 0.77 | S | S | * | * | trans | -127.7 | 130 | 163.6 | -60.6 | -119.9 | 72 | 0 | 0 | 107.5 | ||||
| 475 | S | 37.2 | Very low | 38.6 | Very low | 122 Ų | 122 | 130 Ų | 130 | 85% | 0.853 | 77% | 0.766 | S | S | * | * | trans | -139.3 | 116.2 | -171.3 | -169.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 476 | S | 41.1 | Very low | 38.8 | Very low | 117 Ų | 117 | 132.5 Ų | 132.5 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | 176.1 | 125.9 | 167.1 | 51.7 | 0 | 0 | 0 | 0 | 105 | ||||
| 477 | G | 37.7 | Very low | 39.3 | Very low | 83 Ų | 83 | 131.2 Ų | 131.2 | 86% | 0.856 | 78% | 0.776 | S | S | * | * | 94.7 | 126 | 56.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 478 | G | 36.7 | Very low | 39.3 | Very low | 75 Ų | 75 | 130.1 Ų | 130.1 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | cis | -155.3 | -161.5 | 8.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 479 | P | 48.5 | Very low | 39.6 | Very low | 118 Ų | 118 | 131.7 Ų | 131.7 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | trans | -107.2 | 164.4 | -153.3 | 39.9 | -36.9 | 0 | 0 | 0 | 116.3 | ||||
| 480 | N | 40.2 | Very low | 40 | Very low | 141 Ų | 141 | 128 Ų | 128 | 75% | 0.754 | 78% | 0.775 | S | S | * | * | trans | 171.9 | 150.9 | 151.5 | -94.6 | -30 | 0 | 0 | 0 | 109.7 | ||||
| 481 | Q | 41.5 | Very low | 40.2 | Very low | 150 Ų | 150 | 122.2 Ų | 122.2 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | cis | -160.9 | 154.1 | -4.6 | -141.9 | 167 | 90.6 | 0 | 0 | 110.6 | ||||
| 482 | S | 39.5 | Very low | 40.2 | Very low | 92 Ų | 92 | 124.5 Ų | 124.5 | 64% | 0.643 | 78% | 0.775 | S | S | * | * | trans | 34.9 | 148.4 | 145.6 | 58.5 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 483 | M | 43.8 | Very low | 40.2 | Very low | 176 Ų | 176 | 128.1 Ų | 128.1 | 87% | 0.867 | 78% | 0.779 | S | S | * | * | cis | -166.3 | 168.9 | -4.4 | -100.5 | -77 | -84.7 | 0 | 0 | 108.9 | ||||
| 484 | P | 45.9 | Very low | 40.3 | Very low | 99 Ų | 99 | 127.6 Ų | 127.6 | 64% | 0.643 | 77% | 0.774 | S | S | * | * | trans | -113.1 | 175.2 | -171.1 | 42.3 | -34.3 | 0 | 0 | 0 | 115.5 | ||||
| 485 | H | 42.7 | Very low | 40 | Very low | 155 Ų | 155 | 123 Ų | 123 | 72% | 0.718 | 76% | 0.76 | S | S | * | * | trans | -164.5 | 144.5 | 143 | -127.2 | -113.2 | 0 | 0 | 0 | 114.5 | ||||
| 486 | E | 37.9 | Very low | 40.2 | Very low | 176 Ų | 176 | 124.1 Ų | 124.1 | 82% | 0.822 | 76% | 0.756 | S | S | * | * | trans | 40.1 | 158.8 | 149.5 | -76.4 | 172.6 | 158.9 | 0 | 0 | 123.8 | ||||
| 487 | G | 39.2 | Very low | 40.1 | Very low | 69 Ų | 69 | 125.5 Ų | 125.5 | 71% | 0.711 | 75% | 0.749 | S | S | * | * | cis | -159 | -168.6 | 9.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 488 | V | 35.8 | Very low | 40.1 | Very low | 127 Ų | 127 | 127.9 Ų | 127.9 | 77% | 0.77 | 74% | 0.738 | S | S | * | * | trans | -125.2 | 153.9 | -160.7 | -179.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 489 | F | 39.5 | Very low | 40.2 | Very low | 196 Ų | 196 | 130.6 Ų | 130.6 | 86% | 0.86 | 74% | 0.735 | S | S | * | * | 161.6 | 156.3 | 128.3 | -97.2 | -92.5 | 0 | 0 | 0 | 113.8 | |||||
| 490 | P | 46 | Very low | 39.8 | Very low | 119 Ų | 119 | 133.3 Ų | 133.3 | 77% | 0.773 | 74% | 0.737 | S | S | * | * | trans | -128.5 | -179.8 | -164 | 43.3 | -27.8 | 0 | 0 | 0 | 116.6 | ||||
| 491 | G | 38 | Very low | 39.7 | Very low | 74 Ų | 74 | 131.8 Ų | 131.8 | 76% | 0.763 | 74% | 0.735 | S | S | * | * | trans | 142.3 | 163.1 | 166.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 492 | N | 36.8 | Very low | 39.8 | Very low | 145 Ų | 145 | 130.7 Ų | 130.7 | 78% | 0.775 | 74% | 0.738 | S | S | * | * | cis | -168.1 | 165.9 | -10.1 | -164.5 | 6.5 | 0 | 0 | 0 | 110.5 | ||||
| 493 | L | 36.7 | Very low | 40.2 | Very low | 137 Ų | 137 | 132.3 Ų | 132.3 | 72% | 0.717 | 75% | 0.746 | S | S | * | * | trans | 70 | 150 | 165.2 | -50.9 | 178.3 | 0 | 0 | 0 | 117.1 | ||||
| 494 | T | 38.1 | Very low | 40.2 | Very low | 120 Ų | 120 | 132 Ų | 132 | 74% | 0.736 | 75% | 0.745 | S | S | * | * | cis | -173.6 | 165.5 | -5.6 | 24.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 495 | S | 37.8 | Very low | 41 | Very low | 91 Ų | 91 | 132.4 Ų | 132.4 | 64% | 0.636 | 75% | 0.748 | S | S | * | * | cis | -174.4 | 178.7 | -14.9 | 50.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 496 | L | 40.3 | Very low | 41.2 | Very low | 146 Ų | 146 | 131.1 Ų | 131.1 | 76% | 0.764 | 75% | 0.753 | S | S | * | * | trans | 70 | 139.3 | 168.7 | -51.9 | 170.3 | 0 | 0 | 0 | 116.4 | ||||
| 497 | Q | 39.2 | Very low | 41 | Very low | 147 Ų | 147 | 128.2 Ų | 128.2 | 69% | 0.687 | 75% | 0.752 | S | S | * | * | cis | -167 | 166.9 | -4.9 | -100.9 | 173.1 | -79.1 | 0 | 0 | 107.1 | ||||
| 498 | Q | 39.2 | Very low | 41.1 | Very low | 133 Ų | 133 | 133.7 Ų | 133.7 | 62% | 0.621 | 76% | 0.759 | S | S | * | * | cis | -176.8 | 141.5 | -19.5 | 164.4 | 178.6 | -11.4 | 0 | 0 | 111.2 | ||||
| 499 | N | 38.4 | Very low | 41.1 | Very low | 131 Ų | 131 | 131.8 Ų | 131.8 | 70% | 0.701 | 75% | 0.752 | S | S | * | * | trans | 66.5 | 154.6 | 163 | -73 | 2.8 | 0 | 0 | 0 | 119.7 | ||||
| 500 | Q | 39.1 | Very low | 40.7 | Very low | 176 Ų | 176 | 131.2 Ų | 131.2 | 82% | 0.822 | 75% | 0.749 | S | S | * | * | cis | -141.4 | 173.2 | 1.2 | -113.1 | -127.5 | 2.9 | 0 | 0 | 111.3 | ||||
| 501 | P | 39 | Very low | 40.2 | Very low | 109 Ų | 109 | 136.8 Ų | 136.8 | 71% | 0.708 | 76% | 0.757 | S | S | * | * | trans | -115.1 | -175.9 | -153 | 43.3 | -35.3 | 0 | 0 | 0 | 119 | ||||
| 502 | V | 43.5 | Very low | 39.9 | Very low | 127 Ų | 127 | 138.7 Ų | 138.7 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | trans | -88.2 | 171.4 | -174.5 | -144.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 503 | P | 47.2 | Very low | 39.8 | Very low | 125 Ų | 125 | 137.6 Ų | 137.6 | 81% | 0.812 | 76% | 0.762 | S | S | * | * | -143.3 | 168.1 | 115.8 | 38.9 | -25.6 | 0 | 0 | 0 | 116.7 | |||||
| 504 | M | 43.4 | Very low | 39.7 | Very low | 170 Ų | 170 | 136.3 Ų | 136.3 | 84% | 0.837 | 76% | 0.764 | S | S | * | * | trans | -115 | 155.5 | -179.8 | -90.8 | -88.5 | -67.3 | 0 | 0 | 112.6 | ||||
| 505 | P | 63 | Low | 39.6 | Very low | 107 Ų | 107 | 135.3 Ų | 135.3 | 70% | 0.695 | 77% | 0.768 | S | S | * | * | trans | -106.4 | 165.8 | 157 | 35.2 | -25.3 | 0 | 0 | 0 | 113.3 | ||||
| 506 | P | 47.5 | Very low | 39.8 | Very low | 128 Ų | 128 | 137.1 Ų | 137.1 | 83% | 0.831 | 78% | 0.777 | S | S | * | * | trans | -108.1 | 178.4 | -155.6 | 41.3 | -36.9 | 0 | 0 | 0 | 116.7 | ||||
| 507 | S | 33.7 | Very low | 39.3 | Very low | 116 Ų | 116 | 137.3 Ų | 137.3 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | trans | -95.6 | 142.4 | -174 | 43.9 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 508 | Q | 40.8 | Very low | 39.2 | Very low | 183 Ų | 183 | 142 Ų | 142 | 86% | 0.855 | 79% | 0.791 | S | S | * | * | trans | -157.9 | 153.3 | 161.6 | -87.4 | -149.3 | 56.3 | 0 | 0 | 109.8 | ||||
| 509 | S | 35.4 | Very low | 38.7 | Very low | 87 Ų | 87 | 142.3 Ų | 142.3 | 61% | 0.608 | 80% | 0.797 | S | S | * | * | cis | -152.5 | -95.1 | -16.5 | 49.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 510 | F | 32.1 | Very low | 38.7 | Very low | 185 Ų | 185 | 143.6 Ų | 143.6 | 81% | 0.811 | 80% | 0.803 | S | S | * | * | trans | -145.8 | 150.5 | 179.7 | -73.6 | -98 | 0 | 0 | 0 | 111.6 | ||||
| 511 | Y | 35.1 | Very low | 38.6 | Very low | 236 Ų | 236 | 142.7 Ų | 142.7 | 93% | 0.925 | 80% | 0.798 | S | S | * | * | -179 | 153.9 | 115 | -91.4 | -61.1 | 0 | 0 | 0 | 111 | |||||
| 512 | S | 31.7 | Very low | 38.6 | Very low | 114 Ų | 114 | 146.5 Ų | 146.5 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | trans | -106 | 146.7 | 175.4 | -63.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 513 | S | 34.2 | Very low | 38.2 | Very low | 122 Ų | 122 | 147.6 Ų | 147.6 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | trans | -170.9 | 156.2 | 142.9 | 32.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 514 | S | 34.8 | Very low | 37.7 | Very low | 110 Ų | 110 | 145.4 Ų | 145.4 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | trans | -39.7 | 148.3 | 174.9 | 48.9 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 515 | A | 36.1 | Very low | 37.3 | Very low | 98 Ų | 98 | 144.6 Ų | 144.6 | 81% | 0.81 | 78% | 0.784 | S | S | * | * | trans | -68.5 | 151 | 165.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 516 | P | 41.6 | Very low | 36.1 | Very low | 129 Ų | 129 | 146.6 Ų | 146.6 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | trans | -106 | 143.1 | 160.6 | 36.1 | -28.3 | 0 | 0 | 0 | 112.3 | ||||
| 517 | N | 31.4 | Very low | 35.6 | Very low | 151 Ų | 151 | 149.6 Ų | 149.6 | 81% | 0.807 | 79% | 0.792 | S | S | * | * | trans | -107.2 | 124.8 | 173.3 | 174.2 | -3.5 | 0 | 0 | 0 | 109.4 | ||||
| 518 | R | 36.8 | Very low | 35.6 | Very low | 245 Ų | 245 | 147.2 Ų | 147.2 | 93% | 0.925 | 79% | 0.785 | S | S | * | * | trans | -163.1 | 138 | 159 | -116.7 | 167.2 | -169.5 | -169.4 | 1.2 | 115 | ||||
| 519 | N | 28.7 | Very low | 35.4 | Very low | 140 Ų | 140 | 147.1 Ų | 147.1 | 75% | 0.749 | 79% | 0.785 | S | S | * | * | trans | -63.7 | 155.7 | 167.4 | -75 | -78.1 | 0 | 0 | 0 | 112.8 | ||||
| 520 | L | 37.7 | Very low | 35.3 | Very low | 158 Ų | 158 | 150.6 Ų | 150.6 | 83% | 0.827 | 79% | 0.791 | S | S | * | * | trans | -153.2 | 117.4 | 131.7 | -137.3 | 69.7 | 0 | 0 | 0 | 114.2 | ||||
| 521 | H | 35.9 | Very low | 35.3 | Very low | 156 Ų | 156 | 149.1 Ų | 149.1 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | trans | 13.7 | 131.4 | 147.3 | -58.5 | 88.1 | 0 | 0 | 0 | 122.1 | ||||
| 522 | H | 39.9 | Very low | 35.1 | Very low | 189 Ų | 189 | 144.7 Ų | 144.7 | 88% | 0.875 | 77% | 0.774 | S | S | * | * | 176.1 | 161.2 | 119.9 | -106.5 | -96.3 | 0 | 0 | 0 | 109.1 | |||||
| 523 | H | 34.9 | Very low | 35.6 | Very low | 150 Ų | 150 | 143.9 Ų | 143.9 | 69% | 0.694 | 77% | 0.766 | S | S | * | * | -172.3 | 125.1 | -56.2 | 164.5 | 86.1 | 0 | 0 | 0 | 107.7 | |||||
| 524 | S | 36.3 | Very low | 35.6 | Very low | 79 Ų | 79 | 143.9 Ų | 143.9 | 55% | 0.552 | 76% | 0.761 | S | S | * | * | trans | 65.8 | 158.4 | 168.5 | -66.2 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 525 | Q | 35.2 | Very low | 35.6 | Very low | 153 Ų | 153 | 149 Ų | 149 | 72% | 0.715 | 77% | 0.769 | S | S | * | * | cis | -160.1 | 155.4 | -11.1 | -121.2 | 175.1 | -21.5 | 0 | 0 | 112.7 | ||||
| 526 | M | 37.9 | Very low | 35.7 | Very low | 150 Ų | 150 | 149.9 Ų | 149.9 | 74% | 0.739 | 77% | 0.765 | S | S | * | * | trans | 71.1 | 145.2 | 151.5 | -68.4 | -172.6 | -74.9 | 0 | 0 | 122.5 | ||||
| 527 | M | 37.7 | Very low | 35.3 | Very low | 191 Ų | 191 | 153.7 Ų | 153.7 | 94% | 0.941 | 77% | 0.769 | S | S | * | * | trans | 64.1 | 143.2 | 172.8 | -49.7 | -159.6 | -159.2 | 0 | 0 | 118 | ||||
| 528 | G | 34.2 | Very low | 35.5 | Very low | 65 Ų | 65 | 150.8 Ų | 150.8 | 67% | 0.67 | 77% | 0.765 | S | S | * | * | cis | 164.8 | 126.6 | -12.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 529 | Q | 35.4 | Very low | 35.2 | Very low | 181 Ų | 181 | 146.8 Ų | 146.8 | 85% | 0.846 | 76% | 0.757 | S | S | * | * | trans | 67.4 | 139.5 | 178.8 | -50.4 | -171.7 | 91.4 | 0 | 0 | 114.5 | ||||
| 530 | Q | 32.9 | Very low | 35.5 | Very low | 161 Ų | 161 | 147.3 Ų | 147.3 | 75% | 0.752 | 76% | 0.757 | S | S | * | * | cis | 74.6 | 155.2 | 23.8 | -71.8 | -159.1 | -27.1 | 0 | 0 | 117.7 | ||||
| 531 | F | 32.8 | Very low | 35.4 | Very low | 153 Ų | 153 | 145.6 Ų | 145.6 | 67% | 0.671 | 76% | 0.758 | S | S | * | * | trans | 78.6 | 142.5 | 173.2 | -63.7 | -97.4 | 0 | 0 | 0 | 117.5 | ||||
| 532 | M | 31.9 | Very low | 35.5 | Very low | 144 Ų | 144 | 142.2 Ų | 142.2 | 71% | 0.709 | 76% | 0.758 | S | S | * | * | cis | -166.8 | 169.7 | -27.7 | -109.4 | -47.1 | 149.2 | 0 | 0 | 107.4 | ||||
| 533 | P | 41.3 | Very low | 35.4 | Very low | 97 Ų | 97 | 138.9 Ų | 138.9 | 63% | 0.63 | 76% | 0.756 | S | S | * | * | trans | -88.5 | -177.1 | 172.6 | 39.8 | -35 | 0 | 0 | 0 | 112.1 | ||||
| 534 | V | 34.6 | Very low | 35.3 | Very low | 121 Ų | 121 | 138.2 Ų | 138.2 | 73% | 0.733 | 76% | 0.757 | S | S | * | * | trans | 61.5 | 110.6 | 167.3 | -173.4 | 0 | 0 | 0 | 0 | 116.4 | T536 | V534-T536 PolarHBondContact O-N 2.69Š| ||
| 535 | F | 33.8 | Very low | 35.4 | Very low | 217 Ų | 217 | 140.8 Ų | 140.8 | 95% | 0.952 | 76% | 0.762 | S | S | * | * | trans | -70.5 | 85.5 | 164.1 | -90.6 | -92.6 | 0 | 0 | 0 | 111.5 | ||||
| 536 | T | 38.2 | Very low | 35.5 | Very low | 118 Ų | 118 | 140.4 Ų | 140.4 | 72% | 0.724 | 76% | 0.764 | S | S | * | * | trans | -156.7 | 88.6 | 154.7 | -8.5 | 0 | 0 | 0 | 0 | 113.7 | V534 | V534-T536 PolarHBondContact O-N 2.69Š| ||
| 537 | K | 33.8 | Very low | 35.2 | Very low | 208 Ų | 208 | 140.3 Ų | 140.3 | 90% | 0.904 | 77% | 0.766 | S | S | * | * | trans | 5.4 | 125.3 | 154.8 | -167.8 | 175.6 | -176.6 | 179 | 0 | 119.7 | ||||
| 538 | A | 34.6 | Very low | 35.1 | Very low | 90 Ų | 90 | 142.5 Ų | 142.5 | 74% | 0.744 | 76% | 0.764 | S | S | * | * | trans | 75.6 | 153.4 | 163.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 539 | Q | 31.4 | Very low | 35.1 | Very low | 161 Ų | 161 | 142.2 Ų | 142.2 | 75% | 0.752 | 76% | 0.762 | S | S | * | * | cis | -172 | 154.2 | -30.7 | -172.5 | -174.8 | -25.7 | 0 | 0 | 106.7 | ||||
| 540 | M | 35.9 | Very low | 35.2 | Very low | 152 Ų | 152 | 141.4 Ų | 141.4 | 75% | 0.749 | 76% | 0.763 | S | S | * | * | trans | 74.7 | 122.3 | 175.4 | -43.8 | -174.1 | -170.4 | 0 | 0 | 113.3 | ||||
| 541 | S | 34.9 | Very low | 35.1 | Very low | 121 Ų | 121 | 141.8 Ų | 141.8 | 85% | 0.846 | 76% | 0.764 | S | S | * | * | 75.7 | 129.8 | 56.6 | -60.5 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 542 | A | 37.5 | Very low | 35.3 | Very low | 86 Ų | 86 | 145.6 Ų | 145.6 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | cis | -166.4 | 172.4 | -4.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 543 | S | 37.3 | Very low | 35.5 | Very low | 119 Ų | 119 | 147 Ų | 147 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | trans | 68.4 | 157.3 | 155.7 | -64.1 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 544 | N | 34.1 | Very low | 35.7 | Very low | 135 Ų | 135 | 147.5 Ų | 147.5 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | cis | -170.6 | 174 | -32 | -159.5 | -5 | 0 | 0 | 0 | 109 | ||||
| 545 | M | 37.4 | Very low | 35.8 | Very low | 134 Ų | 134 | 148 Ų | 148 | 66% | 0.66 | 80% | 0.795 | S | S | * | * | trans | 110.1 | 117 | 160.7 | -59.9 | -76.2 | 93.9 | 0 | 0 | 120.9 | ||||
| 546 | L | 37.1 | Very low | 36 | Very low | 144 Ų | 144 | 141.3 Ų | 141.3 | 75% | 0.754 | 79% | 0.787 | S | S | * | * | trans | 41.7 | 127.5 | 134.1 | -54.2 | 171.6 | 0 | 0 | 0 | 120.8 | ||||
| 547 | N | 33 | Very low | 35.9 | Very low | 148 Ų | 148 | 144.3 Ų | 144.3 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | cis | 93.8 | 99.6 | 23 | -168.7 | 33.5 | 0 | 0 | 0 | 117.7 | ||||
| 548 | R | 35.1 | Very low | 36.2 | Very low | 237 Ų | 237 | 137.9 Ų | 137.9 | 89% | 0.894 | 79% | 0.792 | S | S | * | * | trans | 177.9 | 141.8 | 151.1 | -105.9 | 176.3 | 172.6 | 177.2 | -3.7 | 108.1 | ||||
| 549 | G | 34.5 | Very low | 36.5 | Very low | 60 Ų | 60 | 141.3 Ų | 141.3 | 62% | 0.619 | 80% | 0.797 | S | S | * | * | cis | 111.1 | 102.6 | -9.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 550 | D | 36.1 | Very low | 36.9 | Very low | 164 Ų | 164 | 137.7 Ų | 137.7 | 88% | 0.877 | 80% | 0.795 | S | S | * | * | trans | -164.2 | 160.8 | 151.6 | -109 | -40.9 | 0 | 0 | 0 | 112.5 | ||||
| 551 | H | 32.9 | Very low | 37.2 | Very low | 168 Ų | 168 | 138 Ų | 138 | 78% | 0.778 | 80% | 0.797 | S | S | * | * | trans | -114.6 | 167 | -174 | -65 | -87.6 | 0 | 0 | 0 | 113 | ||||
| 552 | Y | 35.7 | Very low | 37.6 | Very low | 233 Ų | 233 | 140.3 Ų | 140.3 | 91% | 0.914 | 79% | 0.794 | S | S | * | * | trans | -159.6 | 165.7 | 132.3 | -105.4 | -69.2 | 0 | 0 | 0 | 111.6 | ||||
| 553 | M | 36.2 | Very low | 37.5 | Very low | 174 Ų | 174 | 142.8 Ų | 142.8 | 86% | 0.857 | 79% | 0.791 | S | S | * | * | trans | -135.6 | 164.1 | -167.3 | -88.7 | -80.1 | 147.1 | 0 | 0 | 112.8 | ||||
| 554 | P | 45.6 | Very low | 37.7 | Very low | 107 Ų | 107 | 143 Ų | 143 | 70% | 0.695 | 79% | 0.789 | S | S | * | * | trans | -107.4 | 169.9 | -155.4 | 41 | -38.5 | 0 | 0 | 0 | 116.6 | ||||
| 555 | S | 36.6 | Very low | 37.8 | Very low | 133 Ų | 133 | 141.5 Ų | 141.5 | 93% | 0.93 | 79% | 0.785 | S | S | * | * | trans | -173.7 | 149.5 | 147.3 | -82 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 556 | G | 38.9 | Very low | 37.9 | Very low | 76 Ų | 76 | 145 Ų | 145 | 78% | 0.784 | 79% | 0.791 | S | S | * | * | trans | 156.1 | 119.3 | 168 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 557 | N | 35.5 | Very low | 37.9 | Very low | 180 Ų | 180 | 143 Ų | 143 | 96% | 0.963 | 79% | 0.789 | S | S | * | * | trans | -89.6 | 155.9 | 174.9 | -72.4 | 2.6 | 0 | 0 | 0 | 111.9 | ||||
| 558 | G | 40.8 | Very low | 38.1 | Very low | 73 Ų | 73 | 141 Ų | 141 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | trans | -169.7 | 129.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 559 | D | 39.3 | Very low | 38.1 | Very low | 162 Ų | 162 | 135.2 Ų | 135.2 | 87% | 0.866 | 78% | 0.782 | S | S | * | * | trans | -70.6 | 150.7 | -161.6 | -72.5 | -92.5 | 0 | 0 | 0 | 119.7 | ||||
| 560 | A | 40.9 | Very low | 38.1 | Very low | 85 Ų | 85 | 137.2 Ų | 137.2 | 70% | 0.702 | 79% | 0.793 | S | S | * | * | trans | 49 | 122.7 | 137.6 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 561 | M | 42.7 | Very low | 38.3 | Very low | 159 Ų | 159 | 135.1 Ų | 135.1 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | -177.6 | 149.1 | 100.7 | -97 | -68.2 | -113.1 | 0 | 0 | 114.2 | |||||
| 562 | H | 41.6 | Very low | 38.4 | Very low | 169 Ų | 169 | 132 Ų | 132 | 78% | 0.782 | 79% | 0.788 | S | S | * | * | trans | 55 | 117.6 | 166.2 | -83 | -72.4 | 0 | 0 | 0 | 122.6 | ||||
| 563 | Q | 37.1 | Very low | 38.6 | Very low | 138 Ų | 138 | 129.3 Ų | 129.3 | 65% | 0.645 | 79% | 0.789 | S | S | * | * | trans | -103 | 172.5 | 163.1 | -147 | -158.3 | 72.7 | 0 | 0 | 109.2 | T565 | Q563-T565 PolarHBondContact OE1-OG1 2.68Š| ||
| 564 | P | 39.8 | Very low | 38.8 | Very low | 124 Ų | 124 | 126.7 Ų | 126.7 | 81% | 0.805 | 78% | 0.782 | S | S | * | * | -144.3 | 150.1 | 78.2 | 37 | -19.5 | 0 | 0 | 0 | 116.6 | |||||
| 565 | T | 37.6 | Very low | 38.4 | Very low | 103 Ų | 103 | 129.8 Ų | 129.8 | 63% | 0.632 | 79% | 0.793 | S | S | * | * | trans | -69.3 | 159.6 | 174.5 | 44.4 | 0 | 0 | 0 | 0 | 115.3 | Q563 | Q563-T565 PolarHBondContact OE1-OG1 2.68Š| ||
| 566 | R | 38.7 | Very low | 38.4 | Very low | 209 Ų | 209 | 126.2 Ų | 126.2 | 79% | 0.789 | 78% | 0.777 | S | S | * | * | trans | -122.8 | 144.4 | 149.5 | -83.4 | -174.2 | 151.6 | -132.4 | -12.6 | 110.3 | ||||
| 567 | S | 36.6 | Very low | 38.2 | Very low | 102 Ų | 102 | 128.6 Ų | 128.6 | 71% | 0.713 | 78% | 0.777 | S | S | * | * | trans | -136.2 | -180 | -171.3 | 61.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 568 | S | 38.5 | Very low | 38.2 | Very low | 106 Ų | 106 | 128 Ų | 128 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | trans | 79.1 | 128.9 | 166.6 | -52.2 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 569 | S | 35.6 | Very low | 37.8 | Very low | 114 Ų | 114 | 128 Ų | 128 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | cis | -154.7 | 131.5 | -9.6 | -77.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 570 | A | 33.6 | Very low | 37.7 | Very low | 102 Ų | 102 | 128.2 Ų | 128.2 | 84% | 0.843 | 77% | 0.774 | S | S | * | * | trans | -94.1 | 123.4 | 160.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | S572 | A570-S572 PolarHBondContact O-N 2.67Š| ||
| 571 | S | 39.4 | Very low | 37.3 | Very low | 121 Ų | 121 | 129 Ų | 129 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | trans | -96.4 | 83.4 | 177.9 | 57.6 | 0 | 0 | 0 | 0 | 110.7 | L573 | S571-L573 PolarHBondContact O-N 2.72Š| ||
| 572 | S | 36.3 | Very low | 36.7 | Very low | 102 Ų | 102 | 124.9 Ų | 124.9 | 71% | 0.713 | 77% | 0.772 | S | S | * | * | trans | -69.1 | 119.9 | 167.3 | 52.6 | 0 | 0 | 0 | 0 | 110.3 | A570 | A570-S572 PolarHBondContact O-N 2.67Š| ||
| 573 | L | 39.2 | Very low | 36.5 | Very low | 176 Ų | 176 | 126.8 Ų | 126.8 | 92% | 0.921 | 78% | 0.779 | S | S | * | * | trans | -105 | 107.7 | 161.7 | -114 | 167.4 | 0 | 0 | 0 | 107.1 | S571 | S571-L573 PolarHBondContact O-N 2.72Š| ||
| 574 | V | 40.2 | Very low | 36.5 | Very low | 120 Ų | 120 | 125.3 Ų | 125.3 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | -127.6 | 153.8 | 176.9 | -71 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 575 | D | 37.7 | Very low | 36.1 | Very low | 171 Ų | 171 | 128.4 Ų | 128.4 | 91% | 0.914 | 78% | 0.784 | S | S | * | * | trans | 82.5 | 143.3 | 166.7 | -139.6 | -15.3 | 0 | 0 | 0 | 118 | ||||
| 576 | G | 35.8 | Very low | 35.9 | Very low | 58 Ų | 58 | 129.8 Ų | 129.8 | 60% | 0.598 | 80% | 0.797 | S | S | * | * | trans | 138.7 | 62 | -175.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 577 | T | 35.8 | Very low | 35.6 | Very low | 127 Ų | 127 | 124.3 Ų | 124.3 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | trans | 61.1 | 111.6 | 149.9 | 61 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 578 | N | 34.1 | Very low | 35.5 | Very low | 168 Ų | 168 | 124.5 Ų | 124.5 | 90% | 0.898 | 80% | 0.798 | S | S | * | * | 34.6 | 117.3 | 127.7 | -60.7 | -10.1 | 0 | 0 | 0 | 121.8 | |||||
| 579 | G | 32.9 | Very low | 35.8 | Very low | 73 Ų | 73 | 125.8 Ų | 125.8 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | 125.8 | 152.9 | 119 | 0 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 580 | L | 37.2 | Very low | 35.9 | Very low | 166 Ų | 166 | 125.1 Ų | 125.1 | 87% | 0.869 | 80% | 0.799 | S | S | * | * | trans | 66.5 | 88.5 | 158.5 | -57.7 | 178.7 | 0 | 0 | 0 | 119.5 | ||||
| 581 | S | 33.8 | Very low | 36 | Very low | 101 Ų | 101 | 128.2 Ų | 128.2 | 71% | 0.706 | 80% | 0.8 | S | S | * | * | 45.9 | 106.1 | 122.1 | 62.4 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 582 | G | 29.8 | Very low | 36.2 | Very low | 72 Ų | 72 | 130.6 Ų | 130.6 | 74% | 0.742 | 80% | 0.803 | S | S | * | * | 70.7 | 112.9 | 119.9 | 0 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 583 | F | 36.1 | Very low | 36.2 | Very low | 209 Ų | 209 | 131.5 Ų | 131.5 | 92% | 0.917 | 81% | 0.806 | S | S | * | * | trans | -128.1 | 140.8 | 154.8 | -85.1 | -85.4 | 0 | 0 | 0 | 110.7 | ||||
| 584 | P | 37 | Very low | 36.1 | Very low | 107 Ų | 107 | 129.1 Ų | 129.1 | 70% | 0.695 | 80% | 0.804 | S | S | * | * | trans | -91.1 | 171.9 | -173.9 | 37.3 | -37.2 | 0 | 0 | 0 | 113.7 | ||||
| 585 | H | 31.6 | Very low | 36.3 | Very low | 189 Ų | 189 | 134.6 Ų | 134.6 | 88% | 0.875 | 81% | 0.812 | S | S | * | * | trans | 7.3 | 109.7 | 159.4 | -77.2 | -87.7 | 0 | 0 | 0 | 118.4 | ||||
| 586 | C | 33.1 | Very low | 36.6 | Very low | 133 Ų | 133 | 131.6 Ų | 131.6 | 90% | 0.899 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 123.1 | 147 | -65.4 | 0 | 0 | 0 | 0 | 109.1 | ||
| 587 | A | 34.1 | Very low | 36.9 | Very low | 93 Ų | 93 | 135 Ų | 135 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 154.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 588 | S | 33 | Very low | 37.2 | Very low | 107 Ų | 107 | 133.4 Ų | 133.4 | 75% | 0.748 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 129.2 | 176.8 | -53.7 | 0 | 0 | 0 | 0 | 112.2 | S590 | S588-S590 PolarHBondContact O-N 2.81Å; S588-S590 VanDerWaalsContact O-N 3.13Å |
| 589 | P | 46.5 | Very low | 37.3 | Very low | 132 Ų | 132 | 136.5 Ų | 136.5 | 86% | 0.857 | 81% | 0.812 | S | S | * | * | trans | -80.7 | 88.4 | 167.6 | 32.3 | -32 | 0 | 0 | 0 | 110.1 | ||||
| 590 | S | 35.9 | Very low | 37.6 | Very low | 100 Ų | 100 | 142.8 Ų | 142.8 | 70% | 0.699 | 82% | 0.819 | S | S | * | * | trans | -72.1 | 140.7 | 168.9 | -63.9 | 0 | 0 | 0 | 0 | 111 | S588 | S588-S590 PolarHBondContact O-N 2.81Å; S588-S590 VanDerWaalsContact O-N 3.13Å | ||
| 591 | L | 37.5 | Very low | 37.9 | Very low | 168 Ų | 168 | 140.3 Ų | 140.3 | 88% | 0.88 | 81% | 0.811 | S | S | * | * | trans | 61.9 | 103.3 | 165.3 | -56 | 170.6 | 0 | 0 | 0 | 117.1 | ||||
| 592 | L | 42.3 | Very low | 38.6 | Very low | 171 Ų | 171 | 141 Ų | 141 | 90% | 0.895 | 81% | 0.813 | S | S | * | * | trans | -130.7 | 144.3 | 151.1 | -78 | 177.8 | 0 | 0 | 0 | 110.2 | ||||
| 593 | P | 36.9 | Very low | 39.3 | Very low | 121 Ų | 121 | 143.7 Ų | 143.7 | 79% | 0.786 | 82% | 0.817 | S | S | * | * | trans | -73.8 | 153.8 | -174.4 | -17 | 32.2 | 0 | 0 | 0 | 114.1 | ||||
| 594 | S | 36.7 | Very low | 39.6 | Very low | 126 Ų | 126 | 139.3 Ų | 139.3 | 88% | 0.881 | 81% | 0.812 | S | S | * | * | trans | -60.9 | 130 | 175.8 | 50.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 595 | R | 43.8 | Very low | 40.1 | Very low | 234 Ų | 234 | 142.1 Ų | 142.1 | 88% | 0.883 | 82% | 0.821 | S | S | * | * | trans | -110.7 | 135.1 | 169.5 | -171.4 | -179.6 | -176.5 | -172.3 | 1.7 | 109.6 | ||||
| 596 | P | 44.1 | Very low | 40.6 | Very low | 108 Ų | 108 | 138.9 Ų | 138.9 | 70% | 0.701 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -67 | 157.4 | -179.7 | 27.5 | -35.5 | 0 | 0 | 0 | 112.5 | ||
| 597 | P | 42.7 | Very low | 41.3 | Very low | 129 Ų | 129 | 140.6 Ų | 140.6 | 84% | 0.838 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 133.4 | -174.3 | 27.1 | -34.9 | 0 | 0 | 0 | 112.4 | R599 | P597-R599 PolarHBondContact O-N 3.06Š|
| 598 | A | 41.8 | Very low | 41.3 | Very low | 94 Ų | 94 | 139.4 Ų | 139.4 | 78% | 0.777 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 117 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | F600 | A598-F600 PolarHBondContact O-N 3.38Š|
| 599 | R | 37.2 | Very low | 41.7 | Very low | 234 Ų | 234 | 143.1 Ų | 143.1 | 88% | 0.883 | 82% | 0.824 | S | S | * | * | trans | -63.8 | 114.1 | 177.8 | -164.1 | 179.4 | -158.6 | 163.4 | 6.3 | 110.2 | P597 T601 | P597-R599 PolarHBondContact O-N 3.06Å; R599-T601 PolarHBondContact O-N 2.66Å | ||
| 600 | F | 39.4 | Very low | 41.2 | Very low | 205 Ų | 205 | 140 Ų | 140 | 90% | 0.899 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 119.3 | 173.2 | -112.7 | -90.3 | 0 | 0 | 0 | 110 | A598 | A598-F600 PolarHBondContact O-N 3.38Š|
| 601 | T | 43.2 | Very low | 41.2 | Very low | 113 Ų | 113 | 141 Ų | 141 | 69% | 0.693 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -101.6 | 136 | 167 | 44.2 | 0 | 0 | 0 | 0 | 109.8 | R599 | R599-T601 PolarHBondContact O-N 2.66Š|
| 602 | P | 47.1 | Very low | 41.2 | Very low | 116 Ų | 116 | 137.3 Ų | 137.3 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 150.7 | 175.4 | 30.8 | -34.3 | 0 | 0 | 0 | 111 | ||
| 603 | P | 45.7 | Very low | 40.7 | Very low | 128 Ų | 128 | 135.5 Ų | 135.5 | 83% | 0.831 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 127.4 | 179.6 | 30 | -33.8 | 0 | 0 | 0 | 111.5 | ||
| 604 | S | 42.8 | Very low | 40.7 | Very low | 117 Ų | 117 | 136 Ų | 136 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 141.5 | 170.8 | 43.6 | 0 | 0 | 0 | 0 | 111.7 | ||
| 605 | L | 46.8 | Very low | 40.5 | Very low | 167 Ų | 167 | 134.6 Ų | 134.6 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 134.7 | 178.8 | -72.2 | 163.9 | 0 | 0 | 0 | 111.4 | N607 | L605-N607 PolarHBondContact O-N 3.43Š|
| 606 | P | 42.8 | Very low | 40 | Very low | 120 Ų | 120 | 128.1 Ų | 128.1 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | trans | -86.3 | 105.2 | 174.7 | 32.7 | -31.9 | 0 | 0 | 0 | 111.6 | ||||
| 607 | N | 46.3 | Very low | 39.7 | Very low | 169 Ų | 169 | 131.7 Ų | 131.7 | 90% | 0.904 | 80% | 0.796 | S | S | * | * | trans | -92 | 114.6 | 155.4 | -93.1 | -0.9 | 0 | 0 | 0 | 108.1 | L605 | L605-N607 PolarHBondContact O-N 3.43Š| ||
| 608 | G | 36 | Very low | 39.3 | Very low | 68 Ų | 68 | 133.6 Ų | 133.6 | 70% | 0.701 | 79% | 0.794 | S | S | * | * | trans | -97.3 | 163.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 609 | L | 40.1 | Very low | 39.1 | Very low | 185 Ų | 185 | 134.5 Ų | 134.5 | 97% | 0.969 | 79% | 0.794 | S | S | * | * | trans | -177.9 | 130.2 | 142.6 | -101.8 | 164.9 | 0 | 0 | 0 | 111.6 | ||||
| 610 | G | 36.6 | Very low | 39 | Very low | 68 Ų | 68 | 128 Ų | 128 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | trans | 92.6 | 115.6 | 149.8 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 611 | S | 36.6 | Very low | 38.7 | Very low | 119 Ų | 119 | 126.7 Ų | 126.7 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | trans | 53.5 | 146.9 | 137.6 | -98.7 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 612 | S | 35.8 | Very low | 38.4 | Very low | 91 Ų | 91 | 129 Ų | 129 | 64% | 0.636 | 78% | 0.784 | S | S | * | * | cis | -175.9 | 122.5 | -19.5 | 39.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 613 | V | 33.2 | Very low | 37.9 | Very low | 133 Ų | 133 | 131.9 Ų | 131.9 | 81% | 0.806 | 79% | 0.789 | S | S | * | * | trans | 62.5 | 158 | 142 | -161.3 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 614 | V | 35.9 | Very low | 37.8 | Very low | 132 Ų | 132 | 131.3 Ų | 131.3 | 80% | 0.8 | 79% | 0.785 | S | S | * | * | trans | 84.5 | 134.2 | 166.2 | -166.7 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 615 | S | 33.1 | Very low | 37.4 | Very low | 96 Ų | 96 | 132 Ų | 132 | 67% | 0.671 | 78% | 0.78 | S | S | * | * | cis | -168.6 | 149.5 | -34.5 | -95.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 616 | S | 33.6 | Very low | 36.7 | Very low | 99 Ų | 99 | 131.5 Ų | 131.5 | 69% | 0.692 | 77% | 0.773 | S | S | * | * | trans | 47.4 | 119.9 | 145 | 66.9 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 617 | Q | 37.5 | Very low | 36.3 | Very low | 182 Ų | 182 | 131.2 Ų | 131.2 | 85% | 0.85 | 77% | 0.769 | S | S | * | * | 152.5 | 160.9 | 119.1 | -83.9 | -178.8 | 58.7 | 0 | 0 | 112 | |||||
| 618 | Q | 33.5 | Very low | 35.7 | Very low | 170 Ų | 170 | 132 Ų | 132 | 79% | 0.794 | 77% | 0.77 | S | S | * | * | -175.8 | 114.2 | -51.6 | 171.9 | 177.8 | 87.1 | 0 | 0 | 109.2 | |||||
| 619 | S | 37.8 | Very low | 35.5 | Very low | 113 Ų | 113 | 132 Ų | 132 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | trans | -178.7 | 127.6 | 155 | 11.5 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 620 | S | 34.7 | Very low | 35.1 | Very low | 98 Ų | 98 | 129.3 Ų | 129.3 | 69% | 0.685 | 77% | 0.766 | S | S | * | * | 78.2 | 128.4 | 54.7 | -64.2 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 621 | F | 34.8 | Very low | 35.1 | Very low | 177 Ų | 177 | 130.2 Ų | 130.2 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | cis | -147.4 | 157.4 | 15.1 | -107.3 | -68.3 | 0 | 0 | 0 | 113.4 | ||||
| 622 | M | 36.9 | Very low | 35.1 | Very low | 160 Ų | 160 | 128.1 Ų | 128.1 | 79% | 0.788 | 77% | 0.772 | S | S | * | * | trans | 43.1 | 130.8 | 155.4 | -74.5 | 150.1 | 167.5 | 0 | 0 | 121.1 | ||||
| 623 | M | 35.2 | Very low | 35.2 | Very low | 178 Ų | 178 | 130.1 Ų | 130.1 | 88% | 0.877 | 78% | 0.781 | S | S | * | * | cis | 87.4 | 148.2 | 38.2 | -67.8 | -63.7 | -150.7 | 0 | 0 | 115.8 | ||||
| 624 | P | 43.9 | Very low | 35.4 | Very low | 115 Ų | 115 | 132 Ų | 132 | 75% | 0.747 | 78% | 0.781 | S | S | * | * | trans | -132.1 | -164.4 | -145.7 | 44.4 | -27.3 | 0 | 0 | 0 | 115.7 | ||||
| 625 | N | 34.6 | Very low | 35.6 | Very low | 131 Ų | 131 | 134 Ų | 134 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | trans | 116.3 | 148.9 | 144.8 | -151.3 | 29.2 | 0 | 0 | 0 | 117.5 | ||||
| 626 | E | 32.8 | Very low | 35.9 | Very low | 158 Ų | 158 | 133 Ų | 133 | 74% | 0.738 | 79% | 0.789 | S | S | * | * | trans | 69.5 | 155.3 | 161.6 | -49.8 | -127.7 | 157.3 | 0 | 0 | 117.2 | ||||
| 627 | V | 33.3 | Very low | 36 | Very low | 114 Ų | 114 | 135.5 Ų | 135.5 | 69% | 0.691 | 79% | 0.789 | S | S | * | * | cis | 175.6 | 154 | -28.6 | 135.7 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 628 | M | 34.5 | Very low | 36.2 | Very low | 186 Ų | 186 | 133.5 Ų | 133.5 | 92% | 0.916 | 79% | 0.789 | S | S | * | * | trans | 78.8 | 148.2 | 167.4 | -156.5 | 172.6 | -62.7 | 0 | 0 | 118.7 | ||||
| 629 | G | 31 | Very low | 36.4 | Very low | 67 Ų | 67 | 128.8 Ų | 128.8 | 69% | 0.691 | 78% | 0.775 | S | S | * | * | trans | 132.8 | 63.1 | 154 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 630 | S | 31.5 | Very low | 36.6 | Very low | 129 Ų | 129 | 130 Ų | 130 | 90% | 0.902 | 78% | 0.777 | S | S | * | * | trans | 25.5 | 130.8 | 140 | -49.7 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 631 | G | 36.9 | Very low | 36.8 | Very low | 87 Ų | 87 | 131.1 Ų | 131.1 | 90% | 0.897 | 78% | 0.782 | S | S | * | * | trans | 121.7 | 145.4 | 145.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 632 | G | 35.7 | Very low | 37 | Very low | 74 Ų | 74 | 125.5 Ų | 125.5 | 76% | 0.763 | 77% | 0.774 | S | S | * | * | cis | 149.2 | 97.4 | -19 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 633 | T | 38.5 | Very low | 37 | Very low | 133 Ų | 133 | 124.4 Ų | 124.4 | 82% | 0.816 | 78% | 0.777 | S | S | * | * | trans | -163.4 | 123.3 | 161.9 | 19.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 634 | Q | 36.8 | Very low | 37.4 | Very low | 173 Ų | 173 | 121 Ų | 121 | 81% | 0.808 | 77% | 0.768 | S | S | * | * | 56.2 | 133.5 | 77.5 | -63.4 | -157.6 | 87.7 | 0 | 0 | 114.1 | |||||
| 635 | M | 39.9 | Very low | 36.9 | Very low | 173 Ų | 173 | 122.9 Ų | 122.9 | 85% | 0.852 | 77% | 0.771 | S | S | * | * | cis | -132.3 | 174.1 | 19.6 | -57.6 | -87 | -96.2 | 0 | 0 | 110.5 | ||||
| 636 | G | 40.6 | Very low | 37.1 | Very low | 76 Ų | 76 | 123.3 Ų | 123.3 | 78% | 0.784 | 78% | 0.778 | S | S | * | * | cis | -164.3 | -173.6 | 5.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 637 | H | 36.1 | Very low | 37.3 | Very low | 151 Ų | 151 | 121 Ų | 121 | 70% | 0.699 | 78% | 0.78 | S | S | * | * | trans | -130.9 | 148.4 | -151.3 | 138.8 | -64.3 | 0 | 0 | 0 | 116.7 | S639 | H637-S639 PolarHBondContact CD2-OG 2.76Å; H637-S639 PolarHBondContact NE2-OG 3.08Å | ||
| 638 | V | 40.6 | Very low | 37.6 | Very low | 140 Ų | 140 | 120.5 Ų | 120.5 | 85% | 0.848 | 78% | 0.779 | S | S | * | * | trans | -142.4 | 133.2 | 147 | -173.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 639 | S | 37.6 | Very low | 37.7 | Very low | 72 Ų | 72 | 118.6 Ų | 118.6 | 50% | 0.503 | 77% | 0.772 | S | S | . | * | trans | -96.2 | -172.2 | 178 | -68.6 | 0 | 0 | 0 | 0 | 111.4 | H637 | H637-S639 PolarHBondContact CD2-OG 2.76Å; H637-S639 PolarHBondContact NE2-OG 3.08Å | ||
| 640 | V | 43.4 | Very low | 37.7 | Very low | 137 Ų | 137 | 120.8 Ų | 120.8 | 83% | 0.83 | 77% | 0.772 | S | S | * | * | cis | -159.8 | -172 | 37.4 | -133.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 641 | P | 39 | Very low | 37.6 | Very low | 122 Ų | 122 | 120.4 Ų | 120.4 | 79% | 0.792 | 77% | 0.769 | S | S | * | * | -134.1 | -176.4 | -116.9 | 46.8 | -28.5 | 0 | 0 | 0 | 118.4 | |||||
| 642 | G | 37.2 | Very low | 37.6 | Very low | 60 Ų | 60 | 121.6 Ų | 121.6 | 62% | 0.619 | 76% | 0.764 | S | S | * | * | trans | 86.9 | 124.1 | 149.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 643 | T | 37.6 | Very low | 37.4 | Very low | 137 Ų | 137 | 123.3 Ų | 123.3 | 84% | 0.84 | 76% | 0.764 | S | S | * | * | 74.2 | 143.5 | 55.5 | 65.5 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 644 | P | 42.8 | Very low | 37.2 | Very low | 105 Ų | 105 | 127.5 Ų | 127.5 | 68% | 0.682 | 77% | 0.771 | S | S | * | * | cis | -146.8 | -170.5 | -29.3 | 41.4 | -22.7 | 0 | 0 | 0 | 115.4 | ||||
| 645 | L | 34.7 | Very low | 37.1 | Very low | 155 Ų | 155 | 123.3 Ų | 123.3 | 81% | 0.812 | 77% | 0.767 | S | S | * | * | trans | 78.8 | 158.2 | 153.6 | -69 | 172.2 | 0 | 0 | 0 | 122.3 | ||||
| 646 | T | 37.7 | Very low | 37.1 | Very low | 140 Ų | 140 | 124.1 Ų | 124.1 | 86% | 0.859 | 77% | 0.771 | S | S | * | * | trans | 93.2 | 151.6 | 165.1 | 70.5 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 647 | S | 37 | Very low | 36.8 | Very low | 111 Ų | 111 | 127.9 Ų | 127.9 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | trans | -117 | -152.9 | -169.7 | -43.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 648 | P | 39.9 | Very low | 36.8 | Very low | 103 Ų | 103 | 129.2 Ų | 129.2 | 67% | 0.669 | 78% | 0.781 | S | S | * | * | cis | -138.9 | -154.6 | -10.8 | 26.3 | 2 | 0 | 0 | 0 | 113.4 | ||||
| 649 | L | 36.6 | Very low | 36.8 | Very low | 145 Ų | 145 | 131.2 Ų | 131.2 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | trans | 75.1 | 144.2 | 160.3 | -46.6 | -177.4 | 0 | 0 | 0 | 116.5 | ||||
| 650 | T | 31 | Very low | 36.7 | Very low | 114 Ų | 114 | 134.7 Ų | 134.7 | 70% | 0.699 | 80% | 0.797 | S | S | * | * | cis | 85.2 | 107 | 21.5 | 75.8 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 651 | S | 30.7 | Very low | 36.5 | Very low | 121 Ų | 121 | 135.8 Ų | 135.8 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | trans | 68.9 | 101.5 | 145.5 | -54.8 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 652 | S | 35.1 | Very low | 36.4 | Very low | 111 Ų | 111 | 137 Ų | 137 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | trans | -169.6 | 127.6 | 143.8 | 43.8 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 653 | S | 31.8 | Very low | 36.4 | Very low | 111 Ų | 111 | 141.5 Ų | 141.5 | 78% | 0.776 | 80% | 0.803 | S | S | * | * | 67.7 | 93.8 | 56.1 | -163.9 | 0 | 0 | 0 | 0 | 112.7 | A655 | S653-A655 PolarHBondContact O-N 3.19Š| |||
| 654 | F | 35.8 | Very low | 36.4 | Very low | 220 Ų | 220 | 140.2 Ų | 140.2 | 97% | 0.965 | 80% | 0.795 | S | S | * | * | trans | -82.9 | 93.3 | 172 | -78.5 | -77.9 | 0 | 0 | 0 | 110.7 | ||||
| 655 | A | 34.6 | Very low | 36.3 | Very low | 86 Ų | 86 | 142.2 Ų | 142.2 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | trans | -116.2 | 133.9 | 153.8 | 0 | 0 | 0 | 0 | 0 | 107.4 | S653 | S653-A655 PolarHBondContact O-N 3.19Š| ||
| 656 | M | 39.7 | Very low | 36.5 | Very low | 190 Ų | 190 | 142.7 Ų | 142.7 | 94% | 0.936 | 80% | 0.796 | S | S | * | * | trans | -109.7 | 125.1 | 168.6 | -98.1 | -72.5 | 179.7 | 0 | 0 | 107.3 | ||||
| 657 | D | 34.9 | Very low | 36.5 | Very low | 155 Ų | 155 | 141.3 Ų | 141.3 | 83% | 0.829 | 79% | 0.792 | S | S | * | * | trans | -65.6 | 150.1 | -172.6 | -95.5 | -69.7 | 0 | 0 | 0 | 113.6 | ||||
| 658 | M | 34.5 | Very low | 36.6 | Very low | 179 Ų | 179 | 140.8 Ų | 140.8 | 88% | 0.882 | 80% | 0.795 | S | S | * | * | trans | -80.7 | 132.1 | 158.8 | -72.9 | -171.2 | 175.2 | 0 | 0 | 108.8 | ||||
| 659 | M | 40.6 | Very low | 36.5 | Very low | 182 Ų | 182 | 142 Ų | 142 | 90% | 0.897 | 80% | 0.802 | S | S | * | * | trans | -126.3 | 107 | 170.8 | -157.2 | 71.6 | 134.7 | 0 | 0 | 108.7 | ||||
| 660 | D | 36.4 | Very low | 36.5 | Very low | 145 Ų | 145 | 141.1 Ų | 141.1 | 78% | 0.775 | 81% | 0.809 | S | S | * | * | trans | -59.2 | 137 | 176.2 | -91.9 | -88 | 0 | 0 | 0 | 112.2 | ||||
| 661 | N | 37.9 | Very low | 36.7 | Very low | 159 Ų | 159 | 142.2 Ų | 142.2 | 85% | 0.85 | 82% | 0.816 | S | S | * | * | trans | -154.8 | 153.6 | 133.1 | -141.6 | -21 | 0 | 0 | 0 | 112.7 | ||||
| 662 | Q | 38.3 | Very low | 37 | Very low | 149 Ų | 149 | 145 Ų | 145 | 70% | 0.696 | 82% | 0.82 | S | S | * | * | trans | -102.4 | 136 | -169.4 | -57.9 | 178.8 | 9.4 | 0 | 0 | 112.9 | ||||
| 663 | N | 36.1 | Very low | 37 | Very low | 154 Ų | 154 | 147.2 Ų | 147.2 | 82% | 0.824 | 82% | 0.822 | S | S | * | * | trans | 178.8 | 122.9 | 134.3 | -88.9 | -40 | 0 | 0 | 0 | 107.7 | ||||
| 664 | V | 38.7 | Very low | 36.8 | Very low | 110 Ų | 110 | 146.9 Ų | 146.9 | 67% | 0.667 | 82% | 0.819 | S | S | * | * | cis | 74.5 | 79.7 | 47.8 | -175.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 665 | L | 40 | Very low | 36.7 | Very low | 147 Ų | 147 | 142.7 Ų | 142.7 | 77% | 0.77 | 81% | 0.812 | S | S | * | * | 178.5 | 154 | 119.5 | -94.8 | 162.8 | 0 | 0 | 0 | 115.1 | |||||
| 666 | H | 39.9 | Very low | 36.7 | Very low | 164 Ų | 164 | 144.8 Ų | 144.8 | 76% | 0.759 | 82% | 0.816 | S | S | * | * | trans | -39 | 151.8 | 179.9 | -45.6 | 147.5 | 0 | 0 | 0 | 117.2 | ||||
| 667 | S | 36.8 | Very low | 36.4 | Very low | 111 Ų | 111 | 143.3 Ų | 143.3 | 78% | 0.776 | 81% | 0.81 | S | S | * | * | -179.6 | 138.3 | 71.4 | -63.7 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 668 | A | 39.9 | Very low | 36.4 | Very low | 100 Ų | 100 | 144.6 Ų | 144.6 | 83% | 0.826 | 81% | 0.808 | S | S | * | * | trans | 59.3 | 152.1 | 150.2 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 669 | P | 37.8 | Very low | 36.4 | Very low | 128 Ų | 128 | 141.7 Ų | 141.7 | 83% | 0.831 | 81% | 0.805 | S | S | * | * | trans | -109.2 | 159.8 | -172.1 | 40.7 | -33.4 | 0 | 0 | 0 | 115.4 | ||||
| 670 | S | 36.9 | Very low | 36.2 | Very low | 127 Ų | 127 | 139.7 Ų | 139.7 | 89% | 0.888 | 80% | 0.799 | S | S | * | * | trans | -118.9 | 127.4 | 163.6 | -72.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 671 | T | 35.4 | Very low | 36.2 | Very low | 138 Ų | 138 | 140.4 Ų | 140.4 | 85% | 0.847 | 80% | 0.803 | S | S | * | * | trans | -72.9 | 134.3 | 176.1 | 42.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 672 | L | 35.2 | Very low | 36 | Very low | 179 Ų | 179 | 138.4 Ų | 138.4 | 94% | 0.937 | 80% | 0.801 | S | S | * | * | trans | -129 | 151.5 | 157.4 | -91.7 | 171.4 | 0 | 0 | 0 | 110.6 | ||||
| 673 | I | 35.4 | Very low | 35.8 | Very low | 158 Ų | 158 | 137.2 Ų | 137.2 | 81% | 0.81 | 81% | 0.806 | S | S | * | * | trans | -97 | 148 | -158.9 | -66.9 | 168.6 | 0 | 0 | 0 | 111.7 | ||||
| 674 | S | 29.2 | Very low | 35.7 | Very low | 104 Ų | 104 | 137 Ų | 137 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | trans | -68.2 | 139.7 | -179 | -45.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 675 | T | 32.3 | Very low | 35.5 | Very low | 131 Ų | 131 | 140.2 Ų | 140.2 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | trans | -129 | 85.8 | 163.3 | 42.9 | 0 | 0 | 0 | 0 | 110.9 | I677 | T675-I677 PolarHBondContact O-N 2.72Š| ||
| 676 | T | 34.2 | Very low | 35.1 | Very low | 131 Ų | 131 | 142.9 Ų | 142.9 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | -83.1 | 103.9 | 172.8 | -47.5 | 0 | 0 | 0 | 0 | 109.9 | K678 | T676-K678 PolarHBondContact O-N 3.34Å; T676-K678 VanDerWaalsContact O-N 3.14Å | ||
| 677 | I | 34.2 | Very low | 34.8 | Very low | 158 Ų | 158 | 142.4 Ų | 142.4 | 81% | 0.81 | 82% | 0.819 | S | S | * | * | trans | -74.7 | 104.9 | 178.8 | -59.1 | 178.2 | 0 | 0 | 0 | 109.8 | T675 | T675-I677 PolarHBondContact O-N 2.72Š| ||
| 678 | K | 33.8 | Very low | 34.7 | Very low | 182 Ų | 182 | 141.2 Ų | 141.2 | 79% | 0.791 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 123.9 | 155.4 | -76.2 | -177.7 | 174 | -179.1 | 0 | 108.6 | T676 | T676-K678 PolarHBondContact O-N 3.34Å; T676-K678 VanDerWaalsContact O-N 3.14Å |
| 679 | S | 34.5 | Very low | 34.5 | Very low | 118 Ų | 118 | 144.4 Ų | 144.4 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 129.2 | 160.4 | 37.7 | 0 | 0 | 0 | 0 | 109.3 | ||
| 680 | N | 36.3 | Very low | 34.5 | Very low | 141 Ų | 141 | 142.2 Ų | 142.2 | 75% | 0.754 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 162.4 | -177.7 | -83 | -29 | 0 | 0 | 0 | 112.6 | ||
| 681 | N | 36.7 | Very low | 34.5 | Very low | 160 Ų | 160 | 141.9 Ų | 141.9 | 86% | 0.856 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 135 | 157.3 | -74 | -17.1 | 0 | 0 | 0 | 110.3 | ||
| 682 | S | 33.5 | Very low | 34.6 | Very low | 117 Ų | 117 | 140.4 Ų | 140.4 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 130.9 | 163 | -67.8 | 0 | 0 | 0 | 0 | 109.8 | ||
| 683 | P | 35.2 | Very low | 34.7 | Very low | 124 Ų | 124 | 137.1 Ų | 137.1 | 81% | 0.805 | 79% | 0.792 | S | S | * | * | trans | -84.8 | -179.6 | -176.9 | 35.4 | -37 | 0 | 0 | 0 | 113.4 | ||||
| 684 | M | 33.4 | Very low | 34.8 | Very low | 148 Ų | 148 | 135 Ų | 135 | 73% | 0.729 | 79% | 0.791 | S | S | * | * | trans | -59.5 | 155.9 | -178.2 | -60.2 | -147.5 | 75 | 0 | 0 | 115.4 | Y686 | M684-Y686 HydrophobicContact CE-CD2 3.92Å; M684-Y686 HydrophobicContact CE-CE2 4.49Å | ||
| 685 | L | 34.9 | Very low | 35.2 | Very low | 178 Ų | 178 | 133.5 Ų | 133.5 | 93% | 0.932 | 79% | 0.791 | S | S | * | * | trans | -124.1 | 132.6 | 146.6 | -77.1 | 174.5 | 0 | 0 | 0 | 109.3 | ||||
| 686 | Y | 31.1 | Very low | 35.5 | Very low | 203 Ų | 203 | 134.2 Ų | 134.2 | 80% | 0.796 | 79% | 0.79 | S | S | * | * | trans | -140.5 | 112 | 179.2 | -143.6 | -76.1 | 0 | 0 | 0 | 107.9 | M684 | M684-Y686 HydrophobicContact CE-CD2 3.92Å; M684-Y686 HydrophobicContact CE-CE2 4.49Å | ||
| 687 | N | 34.2 | Very low | 35.6 | Very low | 154 Ų | 154 | 136.7 Ų | 136.7 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | trans | -175.4 | 149 | 176.7 | -121.1 | 5.3 | 0 | 0 | 0 | 109.4 | ||||
| 688 | S | 35 | Very low | 35.8 | Very low | 86 Ų | 86 | 134 Ų | 134 | 60% | 0.601 | 79% | 0.788 | S | S | * | * | cis | -169.6 | 137.6 | -31.6 | -105.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 689 | I | 35.8 | Very low | 36 | Very low | 167 Ų | 167 | 131.4 Ų | 131.4 | 86% | 0.856 | 79% | 0.788 | S | S | * | * | trans | 52.7 | 121.8 | 149.1 | -53.4 | 171.5 | 0 | 0 | 0 | 118.8 | ||||
| 690 | G | 37.8 | Very low | 36.2 | Very low | 82 Ų | 82 | 131.4 Ų | 131.4 | 85% | 0.845 | 79% | 0.785 | S | S | * | * | trans | -172.5 | 87.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 691 | T | 36.6 | Very low | 36.3 | Very low | 120 Ų | 120 | 133.9 Ų | 133.9 | 74% | 0.736 | 79% | 0.792 | S | S | * | * | trans | -68.5 | 145.9 | -170.4 | 45.6 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 692 | S | 37 | Very low | 36.3 | Very low | 108 Ų | 108 | 131 Ų | 131 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | trans | 61 | 155.4 | 144.2 | 59.6 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 693 | C | 36.7 | Very low | 36.4 | Very low | 110 Ų | 110 | 132.2 Ų | 132.2 | 74% | 0.743 | 78% | 0.78 | S | S | * | * | cis | -171 | 146.1 | -13.7 | 50.7 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 694 | S | 38 | Very low | 36.4 | Very low | 114 Ų | 114 | 134.9 Ų | 134.9 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | 158.3 | 150.4 | 85.2 | -80 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 695 | G | 37.8 | Very low | 36.4 | Very low | 71 Ų | 71 | 136.2 Ų | 136.2 | 73% | 0.732 | 79% | 0.788 | S | S | * | * | trans | 76.2 | 143.6 | 163.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 696 | N | 39 | Very low | 36.8 | Very low | 147 Ų | 147 | 132.8 Ų | 132.8 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | cis | -132.2 | 138.5 | -2 | -73 | -19.8 | 0 | 0 | 0 | 108.4 | ||||
| 697 | Q | 35.9 | Very low | 37.1 | Very low | 182 Ų | 182 | 128.9 Ų | 128.9 | 85% | 0.85 | 77% | 0.774 | S | S | * | * | 41.1 | 126.4 | 93.2 | -68.4 | -171.5 | 80.1 | 0 | 0 | 115.3 | |||||
| 698 | S | 37.9 | Very low | 37.5 | Very low | 101 Ų | 101 | 129.7 Ų | 129.7 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | cis | -161.8 | -174.1 | -4.6 | 59.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 699 | T | 38.6 | Very low | 37.6 | Very low | 129 Ų | 129 | 131 Ų | 131 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | cis | -155.7 | 156.4 | 8 | -24.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 700 | P | 38.1 | Very low | 37.6 | Very low | 117 Ų | 117 | 126.3 Ų | 126.3 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | trans | -118.6 | 155.1 | -175 | 40 | -29.5 | 0 | 0 | 0 | 117.1 | ||||
| 701 | E | 39.5 | Very low | 37.7 | Very low | 194 Ų | 194 | 130.7 Ų | 130.7 | 91% | 0.907 | 78% | 0.781 | S | S | * | * | trans | -152.1 | 168.5 | 165.9 | -71 | -166 | 131.8 | 0 | 0 | 109.9 | ||||
| 702 | S | 36.1 | Very low | 37.6 | Very low | 98 Ų | 98 | 128.3 Ų | 128.3 | 69% | 0.685 | 78% | 0.78 | S | S | * | * | -169.2 | 123.6 | -55.3 | -123.4 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 703 | I | 35.7 | Very low | 37.6 | Very low | 144 Ų | 144 | 128.8 Ų | 128.8 | 74% | 0.738 | 78% | 0.782 | S | S | * | * | trans | 48.6 | 115.5 | 151.9 | -32.3 | 172.4 | 0 | 0 | 0 | 119.6 | ||||
| 704 | M | 35.3 | Very low | 37.4 | Very low | 179 Ų | 179 | 130.5 Ų | 130.5 | 88% | 0.882 | 78% | 0.783 | S | S | * | * | 175.6 | 137.8 | 114 | -95.3 | 178.5 | -85.3 | 0 | 0 | 114.3 | |||||
| 705 | H | 33.1 | Very low | 37.4 | Very low | 176 Ų | 176 | 130.4 Ų | 130.4 | 82% | 0.815 | 78% | 0.778 | S | S | * | * | trans | -86.2 | 163.8 | 167.4 | -89.8 | -102 | 0 | 0 | 0 | 111.1 | ||||
| 706 | P | 44.4 | Very low | 37.2 | Very low | 107 Ų | 107 | 133.3 Ų | 133.3 | 70% | 0.695 | 79% | 0.787 | S | S | * | * | -122.2 | 138.9 | 127.2 | 34.7 | -30.5 | 0 | 0 | 0 | 112.4 | |||||
| 707 | T | 36.8 | Very low | 37 | Very low | 121 Ų | 121 | 130.5 Ų | 130.5 | 74% | 0.742 | 78% | 0.779 | S | S | * | * | trans | -90.6 | 137.8 | 168.6 | -60.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 708 | I | 41.6 | Very low | 36.9 | Very low | 170 Ų | 170 | 127.2 Ų | 127.2 | 87% | 0.872 | 78% | 0.783 | S | S | * | * | trans | -140.7 | 142.1 | 156.8 | -148.5 | 167.5 | 0 | 0 | 0 | 110 | ||||
| 709 | S | 37.2 | Very low | 36.7 | Very low | 114 Ų | 114 | 128 Ų | 128 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | trans | -99.8 | 141.2 | -167.3 | -52.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 710 | G | 36.8 | Very low | 36.7 | Very low | 69 Ų | 69 | 131 Ų | 131 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | trans | -159.5 | 84.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 711 | I | 39.2 | Very low | 36.5 | Very low | 174 Ų | 174 | 131.4 Ų | 131.4 | 89% | 0.892 | 79% | 0.786 | S | S | * | * | trans | 15.5 | 110 | 143.6 | -43.1 | 174.9 | 0 | 0 | 0 | 114.1 | ||||
| 712 | G | 34.7 | Very low | 36.9 | Very low | 69 Ų | 69 | 130.1 Ų | 130.1 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | 70.4 | 126.2 | 79.4 | 0 | 0 | 0 | 0 | 0 | 111 | |||||
| 713 | C | 36.4 | Very low | 37.1 | Very low | 118 Ų | 118 | 132.3 Ų | 132.3 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | cis | -161.3 | 175.4 | 19.8 | 56.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 714 | D | 34 | Very low | 37.4 | Very low | 146 Ų | 146 | 133.8 Ų | 133.8 | 78% | 0.781 | 79% | 0.793 | S | S | * | * | cis | -154.3 | -176 | 5.5 | -141.6 | -41.5 | 0 | 0 | 0 | 111.1 | ||||
| 715 | V | 37.5 | Very low | 37.8 | Very low | 113 Ų | 113 | 132.6 Ų | 132.6 | 69% | 0.685 | 79% | 0.791 | S | S | * | * | trans | -122.2 | 132.2 | 173.5 | 175.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 716 | S | 33 | Very low | 38.1 | Very low | 131 Ų | 131 | 131.3 Ų | 131.3 | 92% | 0.916 | 79% | 0.789 | S | S | * | * | trans | -115.2 | 79.3 | 171.6 | -71.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 717 | S | 35.8 | Very low | 37.8 | Very low | 89 Ų | 89 | 135.4 Ų | 135.4 | 62% | 0.622 | 80% | 0.796 | S | S | * | * | trans | -94.3 | 121.9 | 164.1 | 41.3 | 0 | 0 | 0 | 0 | 109.7 | V719 | S717-V719 PolarHBondContact O-N 3.48Š| ||
| 718 | A | 33.7 | Very low | 37.9 | Very low | 113 Ų | 113 | 137 Ų | 137 | 93% | 0.934 | 80% | 0.797 | S | S | * | * | trans | -71.5 | 110.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 719 | V | 33.2 | Very low | 37.9 | Very low | 117 Ų | 117 | 135.9 Ų | 135.9 | 71% | 0.709 | 79% | 0.791 | S | S | * | * | trans | -93.3 | 128.4 | 170.5 | 177.1 | 0 | 0 | 0 | 0 | 108.7 | S717 N721 | S717-V719 PolarHBondContact O-N 3.48Å; V719-N721 HydrophobicContact CG1-CB 3.96Å | ||
| 720 | M | 38 | Very low | 37.9 | Very low | 191 Ų | 191 | 136.8 Ų | 136.8 | 94% | 0.941 | 79% | 0.787 | S | S | * | * | trans | -106.7 | 125.2 | 156 | -80.9 | 179.8 | 162.8 | 0 | 0 | 107.6 | ||||
| 721 | N | 35.3 | Very low | 38.1 | Very low | 126 Ų | 126 | 138.3 Ų | 138.3 | 67% | 0.674 | 79% | 0.786 | S | S | * | * | trans | -135 | 109.1 | -175.1 | 169.2 | 96.1 | 0 | 0 | 0 | 107.8 | V719 | V719-N721 HydrophobicContact CG1-CB 3.96Š| ||
| 722 | D | 47.7 | Very low | 38.1 | Very low | 167 Ų | 167 | 137.4 Ų | 137.4 | 89% | 0.893 | 78% | 0.784 | S | S | * | * | trans | -132.4 | 123.5 | 165.6 | -74.3 | -64.2 | 0 | 0 | 0 | 107.5 | ||||
| 723 | N | 39.1 | Very low | 38.3 | Very low | 145 Ų | 145 | 138.1 Ų | 138.1 | 78% | 0.775 | 79% | 0.791 | S | S | * | * | trans | -154.5 | 169.5 | 178.2 | -169.9 | 29.5 | 0 | 0 | 0 | 107.3 | ||||
| 724 | E | 43.6 | Very low | 38.7 | Very low | 175 Ų | 175 | 137.2 Ų | 137.2 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | 74 | 137.8 | -159.2 | -48.5 | 179.8 | 171.5 | 0 | 0 | 110.1 | ||||
| 725 | D | 42.4 | Very low | 39.4 | Very low | 154 Ų | 154 | 135.8 Ų | 135.8 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | cis | -131.9 | 161.5 | 26.9 | -146 | -25 | 0 | 0 | 0 | 113.6 | ||||
| 726 | L | 39.8 | Very low | 39.7 | Very low | 148 Ų | 148 | 136.4 Ų | 136.4 | 78% | 0.775 | 80% | 0.8 | S | S | * | * | trans | -100.1 | 134.2 | 171.9 | -77.3 | 83.6 | 0 | 0 | 0 | 110.6 | ||||
| 727 | K | 38.5 | Very low | 40.1 | Very low | 194 Ų | 194 | 140.3 Ų | 140.3 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | 174.7 | 139.4 | 122.4 | -98.3 | 161.9 | -177.4 | 165.9 | 0 | 117.3 | |||||
| 728 | M | 38.8 | Very low | 40.9 | Very low | 154 Ų | 154 | 142.1 Ų | 142.1 | 76% | 0.759 | 80% | 0.804 | S | S | * | * | trans | 79.5 | 143 | 135.5 | -67.9 | -76.6 | -81.2 | 0 | 0 | 122 | ||||
| 729 | I | 40.8 | Very low | 41.4 | Very low | 147 Ų | 147 | 141.8 Ų | 141.8 | 75% | 0.754 | 79% | 0.791 | S | S | * | * | trans | 67.1 | 97.8 | 162.7 | -57.6 | 146.7 | 0 | 0 | 0 | 114.5 | ||||
| 730 | N | 37.7 | Very low | 42.1 | Very low | 133 Ų | 133 | 140.7 Ų | 140.7 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | 69.1 | 106.5 | 53 | -171.7 | 41.9 | 0 | 0 | 0 | 115.9 | |||||
| 731 | S | 40.4 | Very low | 42.4 | Very low | 100 Ų | 100 | 135.7 Ų | 135.7 | 70% | 0.699 | 78% | 0.783 | S | S | * | * | 179.1 | 117.5 | 129.5 | -79.7 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 732 | N | 40.5 | Very low | 42.8 | Very low | 156 Ų | 156 | 138.5 Ų | 138.5 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | trans | 39 | 127.4 | 139.3 | -55.2 | -17.7 | 0 | 0 | 0 | 122.2 | ||||
| 733 | G | 38.1 | Very low | 42.8 | Very low | 84 Ų | 84 | 136 Ų | 136 | 87% | 0.866 | 79% | 0.787 | S | S | * | * | trans | 172.4 | 72.1 | 164.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 734 | A | 44.3 | Very low | 43.3 | Very low | 98 Ų | 98 | 141.7 Ų | 141.7 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | trans | -143.3 | -179.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 735 | P | 48.6 | Very low | 43.3 | Very low | 117 Ų | 117 | 140 Ų | 140 | 76% | 0.76 | 81% | 0.812 | S | S | * | * | cis | -129.1 | -175.8 | -20.1 | 39 | -23.4 | 0 | 0 | 0 | 112.6 | ||||
| 736 | S | 44.8 | Very low | 43.3 | Very low | 126 Ų | 126 | 139.3 Ų | 139.3 | 88% | 0.881 | 81% | 0.811 | S | S | * | * | 176.4 | 157.7 | 129.8 | 44.8 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 737 | R | 40.8 | Very low | 43.5 | Very low | 212 Ų | 212 | 138.8 Ų | 138.8 | 80% | 0.8 | 81% | 0.813 | S | S | * | * | trans | -154.4 | 143.6 | 178.8 | 177.5 | -171 | -175.7 | -155.8 | 5.4 | 108.8 | ||||
| 738 | P | 53.8 | Low | 43.8 | Very low | 127 Ų | 127 | 135.5 Ų | 135.5 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | trans | -118.7 | 168.1 | 153.3 | 35.7 | -26.1 | 0 | 0 | 0 | 112.8 | ||||
| 739 | T | 42.2 | Very low | 44.2 | Very low | 107 Ų | 107 | 134.4 Ų | 134.4 | 66% | 0.656 | 82% | 0.815 | S | S | * | * | trans | -140.1 | 132.8 | -176.7 | 47.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 740 | A | 48.2 | Very low | 44.4 | Very low | 93 Ų | 93 | 133.5 Ų | 133.5 | 77% | 0.769 | 82% | 0.819 | S | S | * | * | trans | -152.1 | 139.2 | 165 | 0 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 741 | A | 45.7 | Very low | 44.8 | Very low | 86 Ų | 86 | 133.6 Ų | 133.6 | 71% | 0.711 | 83% | 0.827 | S | S | * | * | 60.2 | 131.8 | 66.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 742 | E | 42.5 | Very low | 45.2 | Very low | 186 Ų | 186 | 136.2 Ų | 136.2 | 87% | 0.869 | 84% | 0.837 | S | S | * | * | cis | -150.9 | -177.4 | 13.1 | -140.1 | 166.1 | 120.4 | 0 | 0 | 113.4 | ||||
| 743 | S | 47.8 | Very low | 45.6 | Very low | 113 Ų | 113 | 134.5 Ų | 134.5 | 79% | 0.79 | 84% | 0.837 | S | S | * | * | trans | -63.1 | 139.8 | -171.2 | -44.7 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 744 | M | 50.1 | Low | 46.3 | Very low | 265 Ų | 265 | 139.1 Ų | 139.1 | 100% | 1.305 | 83% | 0.834 | S | S | * | * | trans | -154.6 | 0 | 137.1 | -128.1 | 179.6 | -174.8 | 0 | 0 | 111.1 |
Retrieved 744 of 744 residues in 171 ms
(Link to these results)