| 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 | 32.8 | Very low | 36.5 | Very low | 217 Ų | 217 | 146.9 Ų | 146.9 | 100% | 1.069 | 80% | 0.802 | S | S | * | * | 0 | 64.7 | 0 | -56.7 | 168.8 | -173.1 | 0 | 0 | 108.3 | |||||
| 2 | E | 35 | Very low | 35.9 | Very low | 156 Ų | 156 | 148.3 Ų | 148.3 | 73% | 0.729 | 81% | 0.808 | S | S | * | * | 78.2 | 144 | 55.4 | -67 | 161.3 | 101.5 | 0 | 0 | 112.6 | |||||
| 3 | Q | 37.9 | Very low | 36.5 | Very low | 147 Ų | 147 | 146.3 Ų | 146.3 | 69% | 0.687 | 81% | 0.807 | S | S | * | * | cis | -166.9 | 158.1 | -3 | -115.3 | -177.7 | 82.9 | 0 | 0 | 106.4 | ||||
| 4 | L | 38 | Very low | 36 | Very low | 132 Ų | 132 | 141.4 Ų | 141.4 | 69% | 0.691 | 81% | 0.807 | S | S | * | * | cis | -140.7 | 157.7 | 3.8 | -87.3 | 167.7 | 0 | 0 | 0 | 107.3 | ||||
| 5 | T | 37.9 | Very low | 35.8 | Very low | 112 Ų | 112 | 138.9 Ų | 138.9 | 69% | 0.687 | 81% | 0.81 | S | S | * | * | 59.5 | 124.9 | 79.7 | -31.5 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 6 | T | 33.3 | Very low | 35.4 | Very low | 135 Ų | 135 | 141.1 Ų | 141.1 | 83% | 0.828 | 81% | 0.813 | S | S | * | * | -153.7 | 168.3 | 50.4 | -42.5 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 7 | L | 34.1 | Very low | 35.6 | Very low | 159 Ų | 159 | 140.4 Ų | 140.4 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | trans | -97.8 | -178.5 | -174.9 | -77 | 164 | 0 | 0 | 0 | 113.4 | ||||
| 8 | P | 47.3 | Very low | 36.3 | Very low | 125 Ų | 125 | 139 Ų | 139 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | cis | -135.6 | -179.3 | 7.1 | 27.8 | -2 | 0 | 0 | 0 | 118.9 | ||||
| 9 | R | 34.3 | Very low | 36 | Very low | 231 Ų | 231 | 143.6 Ų | 143.6 | 87% | 0.872 | 80% | 0.801 | S | S | * | * | trans | -70.3 | -177 | 172 | -93.7 | 179.5 | 168.9 | -178.5 | -4.3 | 115.4 | ||||
| 10 | P | 43.1 | Very low | 35.6 | Very low | 122 Ų | 122 | 140.6 Ų | 140.6 | 79% | 0.792 | 80% | 0.796 | S | S | * | * | cis | -138.4 | 177.5 | -32.7 | 38 | -20.7 | 0 | 0 | 0 | 114.7 | ||||
| 11 | G | 27.7 | Very low | 35.4 | Very low | 80 Ų | 80 | 141.8 Ų | 141.8 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | trans | 169.1 | 131.6 | 159.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 12 | D | 28.8 | Very low | 36.3 | Very low | 163 Ų | 163 | 136.1 Ų | 136.1 | 87% | 0.872 | 78% | 0.778 | S | S | * | * | trans | -97.7 | 171.2 | 163.7 | -92.5 | -50.5 | 0 | 0 | 0 | 110 | ||||
| 13 | P | 43.6 | Very low | 36 | Very low | 123 Ų | 123 | 134.1 Ų | 134.1 | 80% | 0.799 | 78% | 0.777 | S | S | * | * | cis | -130.6 | -174.6 | -31.6 | 38.3 | -22.4 | 0 | 0 | 0 | 111.7 | ||||
| 14 | G | 30.6 | Very low | 35.4 | Very low | 78 Ų | 78 | 137.9 Ų | 137.9 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | -168.6 | 142.1 | 167.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 15 | A | 32.1 | Very low | 35 | Very low | 103 Ų | 103 | 138.8 Ų | 138.8 | 85% | 0.851 | 79% | 0.786 | S | S | * | * | cis | -150.9 | 154.6 | -5.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 16 | M | 29.3 | Very low | 34.5 | Very low | 174 Ų | 174 | 138.1 Ų | 138.1 | 86% | 0.857 | 79% | 0.785 | S | S | * | * | trans | -118.4 | 160.6 | 168 | -78.5 | 178.1 | 59.1 | 0 | 0 | 110.1 | ||||
| 17 | E | 39.8 | Very low | 34.1 | Very low | 129 Ų | 129 | 143.8 Ų | 143.8 | 60% | 0.603 | 79% | 0.792 | S | S | * | * | trans | 13.8 | 141.6 | 140.2 | -70.5 | -73.3 | 132.3 | 0 | 0 | 118.7 | W19 | E17-W19 PolarHBondContact OE2-NE1 3.42Š| ||
| 18 | P | 47.6 | Very low | 34.1 | Very low | 116 Ų | 116 | 142.1 Ų | 142.1 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | -156.1 | -164.8 | 68.7 | 43.2 | -21.7 | 0 | 0 | 0 | 118.1 | |||||
| 19 | W | 31.4 | Very low | 33.9 | Very low | 226 Ų | 226 | 142.4 Ų | 142.4 | 86% | 0.856 | 79% | 0.79 | S | S | * | * | trans | -86.2 | 161.8 | -162.6 | -54.3 | -71.4 | 0 | 0 | 0 | 119.4 | E17 | E17-W19 PolarHBondContact OE2-NE1 3.42Š| ||
| 20 | A | 28.1 | Very low | 33.6 | Very low | 84 Ų | 84 | 134.9 Ų | 134.9 | 69% | 0.694 | 78% | 0.784 | S | S | * | * | trans | 91.4 | 116.5 | 135 | 0 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 21 | L | 31.1 | Very low | 33 | Very low | 165 Ų | 165 | 141.2 Ų | 141.2 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | trans | 66.3 | 162.3 | 133.6 | -64.8 | 176.1 | 0 | 0 | 0 | 120.4 | ||||
| 22 | P | 51 | Low | 32.9 | Very low | 98 Ų | 98 | 141 Ų | 141 | 64% | 0.636 | 79% | 0.791 | S | S | * | * | cis | -139.3 | -167.1 | -30.3 | 37.6 | -17.6 | 0 | 0 | 0 | 115.1 | ||||
| 23 | T | 28.1 | Very low | 32.8 | Very low | 114 Ų | 114 | 137.2 Ų | 137.2 | 70% | 0.699 | 79% | 0.789 | S | S | * | * | trans | 78.6 | 122.9 | 149.9 | 46.3 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 24 | W | 26.6 | Very low | 32.3 | Very low | 226 Ų | 226 | 140.1 Ų | 140.1 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | trans | 88.1 | 113.3 | 131.9 | -74.8 | 34.1 | 0 | 0 | 0 | 124 | ||||
| 25 | H | 29.2 | Very low | 33.6 | Very low | 152 Ų | 152 | 141.1 Ų | 141.1 | 70% | 0.704 | 79% | 0.785 | S | S | * | * | trans | 50.8 | 111.5 | 130.3 | -66.1 | -69.4 | 0 | 0 | 0 | 125 | ||||
| 26 | S | 26.9 | Very low | 33.4 | Very low | 98 Ų | 98 | 141.7 Ų | 141.7 | 69% | 0.685 | 78% | 0.783 | S | S | * | * | 90.4 | 142.9 | 113.6 | 76.2 | 0 | 0 | 0 | 0 | 124.5 | |||||
| 27 | W | 25.1 | Very low | 33.5 | Very low | 253 Ų | 253 | 139.1 Ų | 139.1 | 96% | 0.958 | 78% | 0.782 | S | S | * | * | trans | 92.8 | 147 | 147.3 | -83.5 | 24.3 | 0 | 0 | 0 | 122.9 | ||||
| 28 | T | 34.9 | Very low | 33 | Very low | 124 Ų | 124 | 137.9 Ų | 137.9 | 76% | 0.761 | 79% | 0.793 | S | S | * | * | trans | -101.1 | 169.5 | -178.1 | 54.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 29 | P | 42.4 | Very low | 32.1 | Very low | 131 Ų | 131 | 136.9 Ų | 136.9 | 85% | 0.851 | 80% | 0.795 | S | S | * | * | -147.5 | 154.2 | 112.1 | 35 | -17.8 | 0 | 0 | 0 | 115.6 | |||||
| 30 | G | 28.1 | Very low | 32.9 | Very low | 73 Ų | 73 | 131.8 Ų | 131.8 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | trans | -99.8 | -148.1 | -172.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 31 | R | 29.8 | Very low | 33.2 | Very low | 256 Ų | 256 | 133 Ų | 133 | 97% | 0.966 | 80% | 0.795 | S | S | * | * | trans | 75.5 | 134 | -174.2 | -166.5 | -169.6 | -63.8 | -100.5 | 3.6 | 113.8 | ||||
| 32 | G | 26.7 | Very low | 33.2 | Very low | 76 Ų | 76 | 132.6 Ų | 132.6 | 78% | 0.784 | 79% | 0.792 | S | S | * | * | cis | 161.6 | 152.3 | -7.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 33 | G | 26.6 | Very low | 32.2 | Very low | 82 Ų | 82 | 131.7 Ų | 131.7 | 85% | 0.845 | 79% | 0.793 | S | S | * | * | trans | -179.1 | 144.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 34 | E | 33.7 | Very low | 32.1 | Very low | 185 Ų | 185 | 133.4 Ų | 133.4 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | trans | -152.3 | -177.2 | -176.3 | -113.1 | -144.8 | 136.8 | 0 | 0 | 107.9 | ||||
| 35 | P | 57.5 | Low | 32.4 | Very low | 99 Ų | 99 | 128.4 Ų | 128.4 | 64% | 0.643 | 79% | 0.792 | S | S | * | * | cis | -132.3 | -179.3 | -7.4 | 38.5 | -21.9 | 0 | 0 | 0 | 114.3 | ||||
| 36 | S | 27.2 | Very low | 33.8 | Very low | 115 Ų | 115 | 126.2 Ų | 126.2 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | 176.8 | 110.2 | 128.6 | -80.6 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 37 | S | 31.8 | Very low | 34.9 | Very low | 119 Ų | 119 | 127 Ų | 127 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | trans | 19.2 | 119.4 | 140.3 | 174 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 38 | A | 28.5 | Very low | 35 | Very low | 103 Ų | 103 | 119.2 Ų | 119.2 | 85% | 0.851 | 78% | 0.784 | S | S | * | * | -176.1 | 152.5 | 113.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 39 | A | 28.4 | Very low | 34.6 | Very low | 95 Ų | 95 | 117.3 Ų | 117.3 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | trans | -143.7 | 165.3 | 172 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 40 | P | 50.2 | Low | 33.8 | Very low | 120 Ų | 120 | 119 Ų | 119 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | -130.4 | 158.3 | 82 | 7.4 | 17.2 | 0 | 0 | 0 | 113.7 | |||||
| 41 | S | 34.1 | Very low | 33.8 | Very low | 110 Ų | 110 | 123.7 Ų | 123.7 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | 72 | 136.3 | 66.1 | -143 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 42 | I | 29.6 | Very low | 33.5 | Very low | 156 Ų | 156 | 118.8 Ų | 118.8 | 80% | 0.8 | 78% | 0.776 | S | S | * | * | cis | -140.6 | 157.8 | 35.4 | -70.6 | 169.1 | 0 | 0 | 0 | 113.5 | ||||
| 43 | A | 30.4 | Very low | 33.3 | Very low | 79 Ų | 79 | 121.9 Ų | 121.9 | 65% | 0.653 | 77% | 0.77 | S | S | * | * | trans | -23.3 | 173.4 | 166.2 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 44 | D | 26.9 | Very low | 33.1 | Very low | 149 Ų | 149 | 125.4 Ų | 125.4 | 80% | 0.797 | 76% | 0.764 | S | S | * | * | cis | -151.6 | -172.9 | 19 | -141.8 | -37 | 0 | 0 | 0 | 115.2 | ||||
| 45 | T | 31.5 | Very low | 32.7 | Very low | 121 Ų | 121 | 124.5 Ų | 124.5 | 74% | 0.742 | 77% | 0.765 | S | S | * | * | trans | -134.6 | -167.7 | -141.6 | -4.5 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 46 | P | 59.2 | Low | 31 | Very low | 106 Ų | 106 | 130.7 Ų | 130.7 | 69% | 0.688 | 78% | 0.775 | S | S | * | * | trans | -116.6 | -175.4 | -150.5 | 44.2 | -26.5 | 0 | 0 | 0 | 115.1 | ||||
| 47 | P | 49.9 | Very low | 30.8 | Very low | 115 Ų | 115 | 129 Ų | 129 | 75% | 0.747 | 76% | 0.763 | S | S | * | * | -138.4 | 172.3 | 104.2 | 44.2 | -33.6 | 0 | 0 | 0 | 112 | |||||
| 48 | A | 27.4 | Very low | 30.3 | Very low | 90 Ų | 90 | 131.4 Ų | 131.4 | 74% | 0.744 | 76% | 0.761 | S | S | * | * | cis | 72.8 | 154.5 | 25.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 49 | A | 27.9 | Very low | 29.9 | Very low | 83 Ų | 83 | 134.9 Ų | 134.9 | 69% | 0.686 | 76% | 0.76 | S | S | * | * | cis | -169.8 | 169.6 | -30.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 50 | L | 25.6 | Very low | 29.6 | Very low | 166 Ų | 166 | 134.6 Ų | 134.6 | 87% | 0.869 | 75% | 0.752 | S | S | * | * | trans | 71.1 | 170.6 | 154.4 | -73.5 | 165.3 | 0 | 0 | 0 | 120.6 | ||||
| 51 | Q | 26.1 | Very low | 28.3 | Very low | 172 Ų | 172 | 134.6 Ų | 134.6 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | trans | 82.4 | 136.6 | 174.5 | -54 | -167.2 | 16.6 | 0 | 0 | 116.4 | ||||
| 52 | L | 24.8 | Very low | 27.9 | Very low | 153 Ų | 153 | 138.7 Ų | 138.7 | 80% | 0.801 | 76% | 0.759 | S | S | * | * | cis | -147.6 | 172.9 | -6.5 | -120.8 | 170.9 | 0 | 0 | 0 | 112.6 | ||||
| 53 | Q | 21.8 | Very low | 28.6 | Very low | 142 Ų | 142 | 136.3 Ų | 136.3 | 66% | 0.664 | 75% | 0.753 | S | S | * | * | trans | -102.2 | 162.7 | -166.7 | 151.2 | -175.5 | -11.4 | 0 | 0 | 111.8 | ||||
| 54 | E | 23.5 | Very low | 28.3 | Very low | 155 Ų | 155 | 142.5 Ų | 142.5 | 72% | 0.724 | 77% | 0.766 | S | S | * | * | trans | 69 | 150.3 | 169.9 | -80.8 | 155.3 | -152.5 | 0 | 0 | 116.5 | ||||
| 55 | L | 24.9 | Very low | 28.3 | Very low | 167 Ų | 167 | 138.9 Ų | 138.9 | 87% | 0.874 | 76% | 0.764 | S | S | * | * | cis | -130.6 | -175.5 | 30.6 | -81.8 | 167.2 | 0 | 0 | 0 | 115.3 | ||||
| 56 | R | 21 | Very low | 28 | Very low | 228 Ų | 228 | 141.1 Ų | 141.1 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | trans | -118.4 | 176.5 | -175.4 | -164.7 | -158.2 | -86.8 | -136.9 | -4.3 | 111.2 | ||||
| 57 | S | 22.9 | Very low | 26.5 | Very low | 79 Ų | 79 | 139.2 Ų | 139.2 | 55% | 0.552 | 77% | 0.771 | S | S | * | * | trans | 95.4 | 113.3 | 158.6 | -65.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 58 | E | 21.7 | Very low | 25.3 | Very low | 170 Ų | 170 | 139.4 Ų | 139.4 | 79% | 0.794 | 78% | 0.775 | S | S | * | * | 83.2 | 148.2 | 89.2 | -72 | 160.9 | 123.8 | 0 | 0 | 111 | |||||
| 59 | E | 21.2 | Very low | 25.4 | Very low | 177 Ų | 177 | 141 Ų | 141 | 83% | 0.827 | 78% | 0.781 | S | S | * | * | cis | -148.4 | -164.5 | 19.1 | -148.1 | -150.7 | 82 | 0 | 0 | 113.3 | ||||
| 60 | S | 21.4 | Very low | 25.4 | Very low | 89 Ų | 89 | 147.5 Ų | 147.5 | 62% | 0.622 | 79% | 0.787 | S | S | * | * | trans | -54.7 | 153 | -177.8 | -173.2 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 61 | S | 23.1 | Very low | 26.4 | Very low | 119 Ų | 119 | 145.3 Ų | 145.3 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | 165.9 | 174.6 | 110.6 | 57.2 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 62 | K | 25.7 | Very low | 26.6 | Very low | 196 Ų | 196 | 143.4 Ų | 143.4 | 85% | 0.852 | 78% | 0.783 | S | S | * | * | trans | -142.9 | 171.7 | -178.9 | -131 | 170.8 | -176.9 | 171.7 | 0 | 105.5 | ||||
| 63 | P | 43.8 | Very low | 26.7 | Very low | 106 Ų | 106 | 139.9 Ų | 139.9 | 69% | 0.688 | 78% | 0.784 | S | S | * | * | cis | -148.7 | -162 | 10.7 | 42.7 | -20 | 0 | 0 | 0 | 116.7 | ||||
| 64 | K | 25.1 | Very low | 27 | Very low | 209 Ų | 209 | 136.3 Ų | 136.3 | 91% | 0.909 | 79% | 0.785 | S | S | * | * | trans | 77.8 | 129.3 | 145.3 | -91.3 | -171.8 | 170.4 | -171.4 | 0 | 123.4 | ||||
| 65 | G | 25.4 | Very low | 27.3 | Very low | 73 Ų | 73 | 135.7 Ų | 135.7 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | trans | 90.7 | 157.5 | 137.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 66 | D | 25.8 | Very low | 27.8 | Very low | 169 Ų | 169 | 135.2 Ų | 135.2 | 90% | 0.904 | 79% | 0.79 | S | S | * | * | cis | -165 | 153.2 | -24.5 | -145.6 | -25.9 | 0 | 0 | 0 | 112.1 | ||||
| 67 | G | 27 | Very low | 29.2 | Very low | 66 Ų | 66 | 129.7 Ų | 129.7 | 68% | 0.68 | 78% | 0.784 | S | S | * | * | trans | 61.8 | 178.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 68 | S | 26.3 | Very low | 29.4 | Very low | 119 Ų | 119 | 135.2 Ų | 135.2 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | cis | -175.1 | 142.7 | -31.4 | -177.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 69 | S | 27.8 | Very low | 29.7 | Very low | 124 Ų | 124 | 130.1 Ų | 130.1 | 87% | 0.867 | 79% | 0.794 | S | S | * | * | trans | 169.3 | 155.9 | 136.5 | 47.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 70 | R | 29.7 | Very low | 30 | Very low | 219 Ų | 219 | 126.4 Ų | 126.4 | 83% | 0.826 | 79% | 0.794 | S | S | * | * | trans | -163.3 | 146 | -179.1 | -171.5 | -174.4 | -173.9 | -166.6 | 5.4 | 110.2 | ||||
| 71 | P | 45.8 | Very low | 30.2 | Very low | 119 Ų | 119 | 131.5 Ų | 131.5 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | trans | -126.8 | 156.8 | 134 | 5 | 17.1 | 0 | 0 | 0 | 111 | ||||
| 72 | V | 31 | Very low | 30.3 | Very low | 133 Ų | 133 | 130.4 Ų | 130.4 | 81% | 0.806 | 81% | 0.805 | S | S | * | * | cis | 110.4 | 126.8 | 12.8 | 171 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 73 | G | 25.7 | Very low | 30.3 | Very low | 79 Ų | 79 | 127.3 Ų | 127.3 | 81% | 0.814 | 81% | 0.807 | S | S | * | * | trans | 122.6 | 134.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 74 | G | 28.5 | Very low | 29.5 | Very low | 67 Ų | 67 | 129.6 Ų | 129.6 | 69% | 0.691 | 81% | 0.813 | S | S | * | * | cis | 165.5 | 146 | -10.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 75 | T | 29.4 | Very low | 30.2 | Very low | 141 Ų | 141 | 126 Ų | 126 | 87% | 0.865 | 81% | 0.811 | S | S | * | * | trans | 58.1 | 115 | 160.8 | 55.8 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 76 | D | 35.9 | Very low | 30.4 | Very low | 157 Ų | 157 | 127.3 Ų | 127.3 | 84% | 0.84 | 81% | 0.808 | S | S | * | * | trans | -83.4 | 162.3 | 138.9 | -60.4 | -69.7 | 0 | 0 | 0 | 110.3 | ||||
| 77 | P | 49.4 | Very low | 30.4 | Very low | 112 Ų | 112 | 128.2 Ų | 128.2 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | -128.9 | 150.6 | 115.2 | 3.3 | 19.4 | 0 | 0 | 0 | 112.6 | |||||
| 78 | E | 28.8 | Very low | 30.4 | Very low | 196 Ų | 196 | 128 Ų | 128 | 92% | 0.916 | 81% | 0.81 | S | S | * | * | 67.2 | 131 | 69.4 | -161.1 | 176 | -145.7 | 0 | 0 | 113.6 | |||||
| 79 | G | 26.9 | Very low | 30.5 | Very low | 63 Ų | 63 | 132 Ų | 132 | 65% | 0.649 | 82% | 0.816 | S | S | * | * | cis | -175.5 | -154.8 | 3.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 80 | A | 27 | Very low | 30.7 | Very low | 99 Ų | 99 | 135.3 Ų | 135.3 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | trans | 67.9 | 119 | -178.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 81 | E | 26.5 | Very low | 30.5 | Very low | 196 Ų | 196 | 129.5 Ų | 129.5 | 92% | 0.916 | 82% | 0.816 | S | S | * | * | 85.7 | 114.6 | 55.5 | -77.1 | -143.2 | 133.1 | 0 | 0 | 115.6 | |||||
| 82 | A | 24.7 | Very low | 29.8 | Very low | 95 Ų | 95 | 129.9 Ų | 129.9 | 79% | 0.785 | 82% | 0.822 | S | S | * | * | 170.8 | 132.7 | 116.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 83 | C | 25 | Very low | 29.6 | Very low | 131 Ų | 131 | 128.2 Ų | 128.2 | 89% | 0.885 | 82% | 0.816 | S | S | * | * | trans | 37 | 133.1 | 148.5 | -62.4 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 84 | L | 28.7 | Very low | 29.7 | Very low | 155 Ų | 155 | 130 Ų | 130 | 81% | 0.812 | 82% | 0.816 | S | S | * | * | trans | -73.1 | 167.6 | 152.9 | -60.1 | 167.8 | 0 | 0 | 0 | 111 | ||||
| 85 | P | 39.1 | Very low | 29.8 | Very low | 133 Ų | 133 | 130.3 Ų | 130.3 | 86% | 0.864 | 82% | 0.819 | S | S | * | * | -142.1 | 173.2 | 95.9 | 38.6 | -25.2 | 0 | 0 | 0 | 115.1 | |||||
| 86 | S | 29.2 | Very low | 30 | Very low | 101 Ų | 101 | 129.8 Ų | 129.8 | 71% | 0.706 | 82% | 0.818 | S | S | * | * | trans | -111.1 | 134.1 | -169.3 | -48.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 87 | L | 26.9 | Very low | 29.5 | Very low | 187 Ų | 187 | 126.7 Ų | 126.7 | 98% | 0.979 | 82% | 0.815 | S | S | * | * | trans | -173.9 | 150.4 | 153 | -126.9 | 66.8 | 0 | 0 | 0 | 108 | ||||
| 88 | G | 26.1 | Very low | 28.5 | Very low | 62 Ų | 62 | 127.8 Ų | 127.8 | 64% | 0.639 | 82% | 0.823 | S | S | * | * | cis | 170.7 | 166.9 | -9.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 89 | Q | 29.3 | Very low | 28.6 | Very low | 204 Ų | 204 | 127.2 Ų | 127.2 | 95% | 0.953 | 82% | 0.821 | S | S | * | * | trans | 71.6 | 160.7 | 167.6 | -59.2 | -174.1 | -1.6 | 0 | 0 | 119.6 | ||||
| 90 | Q | 30.5 | Very low | 28.7 | Very low | 192 Ų | 192 | 135.5 Ų | 135.5 | 90% | 0.897 | 83% | 0.832 | S | S | * | * | trans | -102.8 | 152.5 | -178.1 | -60.2 | 165.5 | -26.4 | 0 | 0 | 110.1 | ||||
| 91 | A | 25.9 | Very low | 29.4 | Very low | 98 Ų | 98 | 135.8 Ų | 135.8 | 81% | 0.81 | 83% | 0.826 | S | S | * | * | trans | -146 | 141.9 | 159.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 92 | S | 31.6 | Very low | 29.9 | Very low | 127 Ų | 127 | 135 Ų | 135 | 89% | 0.888 | 82% | 0.822 | S | S | * | * | trans | -118.6 | 119 | 177.1 | -61.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 93 | S | 26.5 | Very low | 30.5 | Very low | 98 Ų | 98 | 136.7 Ų | 136.7 | 69% | 0.685 | 82% | 0.818 | S | S | * | * | trans | -162.8 | 111.8 | 176.3 | 42 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 94 | S | 28.3 | Very low | 31.4 | Very low | 116 Ų | 116 | 139 Ų | 139 | 81% | 0.811 | 82% | 0.816 | S | S | * | * | 56.6 | 100.7 | 89.3 | 72.2 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 95 | G | 29.5 | Very low | 32.1 | Very low | 73 Ų | 73 | 140 Ų | 140 | 75% | 0.753 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 162.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 96 | P | 33.9 | Very low | 32.4 | Very low | 130 Ų | 130 | 138.8 Ų | 138.8 | 84% | 0.844 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -88 | 151.4 | 170.8 | 35.3 | -32.7 | 0 | 0 | 0 | 111.8 | ||
| 97 | A | 26.6 | Very low | 33 | Very low | 93 Ų | 93 | 138.4 Ų | 138.4 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 136.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 98 | C | 27.1 | Very low | 33.8 | Very low | 135 Ų | 135 | 132.6 Ų | 132.6 | 91% | 0.912 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 124.2 | 168.1 | -69.5 | 0 | 0 | 0 | 0 | 110.3 | ||
| 99 | Q | 30.5 | Very low | 34.7 | Very low | 183 Ų | 183 | 137.5 Ų | 137.5 | 86% | 0.855 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 156 | 174.7 | -64.2 | 172.5 | -8.2 | 0 | 0 | 110.9 | ||
| 100 | R | 30.6 | Very low | 35.6 | Very low | 237 Ų | 237 | 133 Ų | 133 | 89% | 0.894 | 76% | 0.758 | S | S | * | * | trans | -106.9 | 126 | 165.6 | -70.8 | -170.8 | -157.8 | 142.9 | 4.7 | 109.7 | ||||
| 101 | P | 41.5 | Very low | 36.2 | Very low | 105 Ų | 105 | 131.6 Ų | 131.6 | 68% | 0.682 | 75% | 0.749 | S | S | * | * | -80.7 | 168.1 | 121 | 41.9 | -34.1 | 0 | 0 | 0 | 108.1 | |||||
| 102 | E | 36.8 | Very low | 37.2 | Very low | 180 Ų | 180 | 130.6 Ų | 130.6 | 84% | 0.841 | 74% | 0.741 | S | S | * | * | cis | -141.3 | 132.6 | 17.7 | -63 | 157.6 | -170.4 | 0 | 0 | 108.5 | ||||
| 103 | D | 37.9 | Very low | 37.8 | Very low | 131 Ų | 131 | 133 Ų | 133 | 70% | 0.701 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -156 | -16.3 | 170.5 | -103.9 | -52.1 | 0 | 0 | 0 | 112.6 | ||
| 104 | E | 42.6 | Very low | 38.7 | Very low | 179 Ų | 179 | 135.4 Ų | 135.4 | 84% | 0.836 | 74% | 0.74 | S | S | * | * | H | α-helix | trans | -83.8 | -29.9 | -169.3 | -63.7 | -167.2 | 128.6 | 0 | 0 | 116 | V106 | E104-V106 VanDerWaalsContact C-N 3.25Å; E104-V106 PolarHBondContact O-N 3.41Å |
| 105 | E | 43.8 | Very low | 39.6 | Very low | 177 Ų | 177 | 136.6 Ų | 136.6 | 83% | 0.827 | 74% | 0.737 | S | S | * | * | H | α-helix | trans | -67.9 | -22.3 | -175.6 | -69 | -164.4 | 124.1 | 0 | 0 | 113.7 | ||
| 106 | V | 45.2 | Very low | 40 | Very low | 107 Ų | 107 | 141.4 Ų | 141.4 | 65% | 0.648 | 74% | 0.742 | S | S | * | * | H | α-helix | trans | -81.2 | -38.5 | -175.2 | -172.5 | 0 | 0 | 0 | 0 | 112.6 | E104 A108 | E104-V106 VanDerWaalsContact C-N 3.25Å; E104-V106 PolarHBondContact O-N 3.41Å; V106-A108 VanDerWaalsContact C-N 3.34Å |
| 107 | E | 41.6 | Very low | 40.3 | Very low | 93 Ų | 93 | 140.3 Ų | 140.3 | 44% | 0.435 | 74% | 0.738 | S | S | . | * | H | α-helix | trans | -69.4 | -32.1 | 175 | -92.5 | -80.3 | 146.6 | 0 | 0 | 111.8 | F109 L110 K111 R134 | E107-F109 VanDerWaalsContact C-N 3.34Å; E107-F109 PolarHBondContact O-N 3.46Å; E107-L110 PolarHBondContact O-N 3.44Å; E107-K111 PolarHBondContact O-N 3.32Å; E107-R134 IonicContact OE1-CZ 3.86Å; E107-R134 IonicContact OE1-NH2 2.68Å; E107-R134 PolarHBondContact OE1-NH2 3.11Å; E107-R134 IonicContact OE2-NH2 3.63Å |
| 108 | A | 44.8 | Very low | 40.8 | Very low | 64 Ų | 64 | 146.2 Ų | 146.2 | 53% | 0.529 | 75% | 0.746 | S | S | . | * | H | α-helix | trans | -60.1 | -42.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | V106 L110 K111 | V106-A108 VanDerWaalsContact C-N 3.34Å; A108-L110 PolarHBondContact O-N 3.43Å; A108-K111 PolarHBondContact O-N 3.38Å |
| 109 | F | 43.3 | Very low | 41.5 | Very low | 165 Ų | 165 | 143 Ų | 143 | 72% | 0.724 | 74% | 0.736 | S | S | * | * | H | α-helix | trans | -69 | -33.1 | -176 | -156.5 | -96.2 | 0 | 0 | 0 | 113.3 | E107 | E107-F109 VanDerWaalsContact C-N 3.34Å; E107-F109 PolarHBondContact O-N 3.46Å |
| 110 | L | 48.9 | Very low | 42.4 | Very low | 111 Ų | 111 | 142.3 Ų | 142.3 | 58% | 0.581 | 74% | 0.738 | S | S | * | * | H | α-helix | trans | -74.1 | -34 | 177.2 | -68 | 174 | 0 | 0 | 0 | 112.4 | E107 A108 A112 | E107-L110 PolarHBondContact O-N 3.44Å; A108-L110 PolarHBondContact O-N 3.43Å; L110-A112 VanDerWaalsContact C-N 3.32Å; L110-A112 PolarHBondContact O-N 3.25Å |
| 111 | K | 44.4 | Very low | 43.4 | Very low | 161 Ų | 161 | 142.1 Ų | 142.1 | 70% | 0.7 | 74% | 0.737 | S | S | * | * | H | α-helix | trans | -66.5 | -30.8 | -179.7 | -126.3 | 165.9 | -174 | 164.3 | 0 | 113.4 | E107 A108 K113 | E107-K111 PolarHBondContact O-N 3.32Å; A108-K111 PolarHBondContact O-N 3.38Å; K111-K113 VanDerWaalsContact C-N 3.34Å; K111-K113 PolarHBondContact O-N 3.48Å |
| 112 | A | 44.9 | Very low | 44.1 | Very low | 78 Ų | 78 | 142.3 Ų | 142.3 | 65% | 0.645 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | -18.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | L110 | L110-A112 VanDerWaalsContact C-N 3.32Å; L110-A112 PolarHBondContact O-N 3.25Å |
| 113 | K | 44.9 | Very low | 45.3 | Very low | 177 Ų | 177 | 138.2 Ų | 138.2 | 77% | 0.77 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.4 | 3.9 | -167.7 | -147.6 | 174.1 | -177.9 | 178.7 | 0 | 115.6 | K111 | K111-K113 VanDerWaalsContact C-N 3.34Å; K111-K113 PolarHBondContact O-N 3.48Å |
| 114 | L | 46 | Very low | 47 | Very low | 149 Ų | 149 | 137.3 Ų | 137.3 | 78% | 0.78 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -94.9 | 3.6 | 178.2 | -77.7 | 167.8 | 0 | 0 | 0 | 114.5 | M116 | L114-M116 PolarHBondContact O-N 3.04Š|
| 115 | N | 46.7 | Very low | 48.4 | Very low | 141 Ų | 141 | 135.8 Ų | 135.8 | 75% | 0.754 | 71% | 0.71 | S | S | * | * | trans | -96.9 | 45.6 | 179.5 | -76.7 | -4.6 | 0 | 0 | 0 | 113.5 | ||||
| 116 | M | 37.8 | Very low | 49.9 | Very low | 173 Ų | 173 | 132.7 Ų | 132.7 | 85% | 0.852 | 70% | 0.699 | S | S | * | * | trans | -132.4 | 118 | 166.5 | -81.3 | -75.2 | 99.7 | 0 | 0 | 109.8 | L114 | L114-M116 PolarHBondContact O-N 3.04Š| ||
| 117 | S | 40.9 | Very low | 51.6 | Low | 108 Ų | 108 | 132.8 Ų | 132.8 | 76% | 0.755 | 70% | 0.695 | S | S | * | * | trans | -83.1 | 134.2 | -170.8 | 53.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 118 | F | 37 | Very low | 53.5 | Low | 217 Ų | 217 | 135.6 Ų | 135.6 | 95% | 0.952 | 70% | 0.702 | S | S | * | * | trans | -168.3 | 133.8 | 137.8 | -119.1 | -77.3 | 0 | 0 | 0 | 111.7 | ||||
| 119 | G | 40.5 | Very low | 55.3 | Low | 68 Ų | 68 | 134.9 Ų | 134.9 | 70% | 0.701 | 70% | 0.696 | S | S | * | * | trans | 89.8 | 85.7 | 160.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | R121 | G119-R121 PolarHBondContact O-N 2.68Š| ||
| 120 | D | 49.8 | Very low | 57.3 | Low | 168 Ų | 168 | 131.4 Ų | 131.4 | 90% | 0.898 | 69% | 0.685 | S | S | * | * | trans | -70.6 | 95.3 | 174.2 | -68.7 | -73.8 | 0 | 0 | 0 | 114.1 | ||||
| 121 | R | 51.3 | Low | 59.2 | Low | 232 Ų | 232 | 128 Ų | 128 | 88% | 0.875 | 68% | 0.675 | S | S | * | * | trans | -140.9 | 113.2 | 136.9 | -78.3 | -163.5 | 177.6 | -158.2 | -2.4 | 109.1 | G119 N123 | G119-R121 PolarHBondContact O-N 2.68Å; R121-N123 PolarHBondContact O-N 2.73Å | ||
| 122 | P | 56.6 | Low | 61.3 | Low | 110 Ų | 110 | 123.7 Ų | 123.7 | 71% | 0.714 | 66% | 0.658 | S | S | * | * | trans | -66.9 | 111.9 | 176.1 | 27.4 | -32.7 | 0 | 0 | 0 | 108.7 | L124 | P122-L124 PolarHBondContact O-N 3.05Š| ||
| 123 | N | 61.6 | Low | 63.4 | Low | 93 Ų | 93 | 124.9 Ų | 124.9 | 50% | 0.497 | 65% | 0.653 | S | S | . | * | trans | -72.4 | 84.9 | 174 | -168.5 | -12.2 | 0 | 0 | 0 | 108.6 | R121 E125 L126 L127 | R121-N123 PolarHBondContact O-N 2.73Å; N123-E125 PolarHBondContact O-N 3Å; N123-L126 HydrophobicContact CB-CB 3.92Å; N123-L126 WeakPolarHBondContact O-CA 3.28Å; N123-L126 WeakPolarHBondContact O-CB 3.36Å; N123-L126 PolarHBondContact O-N 3.24Å; N123-L126 PolarHBondContact OD1-N 2.92Å; N123-L127 PolarHBondContact O-N 3.01Å | ||
| 124 | L | 73.8 | Confident | 65.7 | Low | 113 Ų | 113 | 123.6 Ų | 123.6 | 59% | 0.592 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -61 | -30.3 | -171.5 | -174.7 | 64.5 | 0 | 0 | 0 | 112.1 | P122 R128 | P122-L124 PolarHBondContact O-N 3.05Å; L124-R128 VanDerWaalsContact O-CB 3.3Å; L124-R128 WeakPolarHBondContact O-CB 3.35Å; L124-R128 PolarHBondContact O-N 3.42Å |
| 125 | E | 72.2 | Confident | 67.8 | Low | 146 Ų | 146 | 122.7 Ų | 122.7 | 68% | 0.682 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -68.8 | -42.2 | 173.7 | -64.1 | 175.9 | 175.7 | 0 | 0 | 111.2 | N123 R128 A129 | N123-E125 PolarHBondContact O-N 3Å; E125-R128 PolarHBondContact O-N 2.7Å; E125-A129 VanDerWaalsContact O-CB 3.32Å; E125-A129 WeakPolarHBondContact O-CB 3.3Å; E125-A129 PolarHBondContact O-N 3.15Å |
| 126 | L | 75.7 | Confident | 69.9 | Low | 112 Ų | 112 | 122.5 Ų | 122.5 | 59% | 0.586 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -63.6 | -42.5 | 174.3 | -165.9 | 75.8 | 0 | 0 | 0 | 111.5 | N123 A129 L130 | N123-L126 HydrophobicContact CB-CB 3.92Å; N123-L126 WeakPolarHBondContact O-CA 3.28Å; N123-L126 WeakPolarHBondContact O-CB 3.36Å; N123-L126 PolarHBondContact O-N 3.24Å; N123-L126 PolarHBondContact OD1-N 2.92Å; L126-A129 PolarHBondContact O-N 2.95Å; L126-L130 WeakPolarHBondContact O-CB 3.41Å; L126-L130 PolarHBondContact O-N 3.26Å |
| 127 | L | 80.1 | Confident | 72.2 | Confident | 109 Ų | 109 | 117.1 Ų | 117.1 | 57% | 0.571 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -64.8 | -39.5 | 175.5 | -70.8 | 173.4 | 0 | 0 | 0 | 112.1 | N123 L130 G131 | N123-L127 PolarHBondContact O-N 3.01Å; L127-L130 PolarHBondContact O-N 2.99Å; L127-G131 PolarHBondContact O-N 2.76Å |
| 128 | R | 81.7 | Confident | 74.5 | Confident | 152 Ų | 152 | 114.6 Ų | 114.6 | 57% | 0.574 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -63.4 | -48.3 | 173.9 | -170.4 | -174.2 | -56.7 | 175.6 | 4.8 | 111.1 | L124 E125 L130 G131 E132 | L124-R128 VanDerWaalsContact O-CB 3.3Å; L124-R128 WeakPolarHBondContact O-CB 3.35Å; L124-R128 PolarHBondContact O-N 3.42Å; E125-R128 PolarHBondContact O-N 2.7Å; R128-L130 VanDerWaalsContact C-N 3.3Å; R128-L130 PolarHBondContact O-N 2.87Å; R128-G131 CarbonylContact O-C 3.59Å; R128-G131 WeakPolarHBondContact O-CA 3.49Å; R128-G131 PolarHBondContact O-N 2.87Å; R128-G131 VanDerWaalsContact O-N 3.09Å; R128-E132 WeakPolarHBondContact O-CG 3.42Å; R128-E132 PolarHBondContact O-N 3.36Å |
| 129 | A | 83.4 | Confident | 77.1 | Confident | 50 Ų | 50 | 108 Ų | 108 | 41% | 0.413 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -61.3 | -36.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | E125 L126 L133 | E125-A129 VanDerWaalsContact O-CB 3.32Å; E125-A129 WeakPolarHBondContact O-CB 3.3Å; E125-A129 PolarHBondContact O-N 3.15Å; L126-A129 PolarHBondContact O-N 2.95Å; A129-L133 WeakPolarHBondContact O-CB 3.44Å; A129-L133 PolarHBondContact O-N 3.17Å |
| 130 | L | 86.3 | Confident | 79.2 | Confident | 92 Ų | 92 | 109.1 Ų | 109.1 | 48% | 0.482 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -69 | -36.3 | 174.1 | -130.9 | 167.3 | 0 | 0 | 0 | 111.9 | L126 L127 R128 R134 | L126-L130 WeakPolarHBondContact O-CB 3.41Å; L126-L130 PolarHBondContact O-N 3.26Å; L127-L130 PolarHBondContact O-N 2.99Å; R128-L130 VanDerWaalsContact C-N 3.3Å; R128-L130 PolarHBondContact O-N 2.87Å; L130-R134 WeakPolarHBondContact O-CB 3.32Å; L130-R134 PolarHBondContact O-N 3.27Å |
| 131 | G | 87.3 | Confident | 81.1 | Confident | 38 Ų | 38 | 108.1 Ų | 108.1 | 39% | 0.392 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64 | -51.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L127 R128 L133 R134 Q135 | L127-G131 PolarHBondContact O-N 2.76Å; R128-G131 CarbonylContact O-C 3.59Å; R128-G131 WeakPolarHBondContact O-CA 3.49Å; R128-G131 PolarHBondContact O-N 2.87Å; R128-G131 VanDerWaalsContact O-N 3.09Å; G131-L133 VanDerWaalsContact C-N 3.33Å; G131-L133 PolarHBondContact O-N 3.05Å; G131-R134 PolarHBondContact O-N 3.42Å; G131-Q135 WeakPolarHBondContact O-CB 3.31Å; G131-Q135 PolarHBondContact O-N 3.06Å |
| 132 | E | 89.2 | Confident | 82.9 | Confident | 72 Ų | 72 | 103.5 Ų | 103.5 | 34% | 0.336 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -59.1 | -41.4 | 175.1 | -71.9 | 178.3 | -143.2 | 0 | 0 | 112.2 | R128 Q135 R136 | R128-E132 WeakPolarHBondContact O-CG 3.42Å; R128-E132 PolarHBondContact O-N 3.36Å; E132-Q135 PolarHBondContact O-N 3.05Å; E132-R136 WeakPolarHBondContact O-CB 3.32Å; E132-R136 VanDerWaalsContact O-CG 3.3Å; E132-R136 WeakPolarHBondContact O-CG 3.48Å; E132-R136 PolarHBondContact O-N 3.04Å; E132-R136 IonicContact OE2-CZ 2.73Å; E132-R136 VanDerWaalsContact OE2-CZ 3.24Å; E132-R136 IonicContact OE2-NH1 3.13Å; E132-R136 PolarHBondContact OE2-NH1 2.63Å; E132-R136 IonicContact OE2-NH2 3.93Å; E132-R136 PolarHBondContact OE2-NH2 2.83Å |
| 133 | L | 89.7 | Confident | 84.1 | Confident | 102 Ų | 102 | 102.7 Ų | 102.7 | 53% | 0.534 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.6 | -43.1 | 177.3 | -176.8 | 61.1 | 0 | 0 | 0 | 111.2 | A129 G131 Q135 R136 C137 | A129-L133 WeakPolarHBondContact O-CB 3.44Å; A129-L133 PolarHBondContact O-N 3.17Å; G131-L133 VanDerWaalsContact C-N 3.33Å; G131-L133 PolarHBondContact O-N 3.05Å; L133-Q135 VanDerWaalsContact C-N 3.3Å; L133-Q135 PolarHBondContact O-N 3.17Å; L133-R136 PolarHBondContact O-N 3.42Å; L133-C137 VanDerWaalsContact O-CB 3.32Å; L133-C137 WeakPolarHBondContact O-CB 3.44Å; L133-C137 PolarHBondContact O-N 2.85Å; L133-C137 PolarHBondContact O-SG 3.21Å |
| 134 | R | 91.6 | Very high | 84.9 | Confident | 151 Ų | 151 | 101.7 Ų | 101.7 | 57% | 0.57 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -59.9 | -39.9 | 171.9 | -92.5 | -180 | 155.5 | 170.7 | -8.1 | 111.8 | E107 L130 G131 C137 A138 | E107-R134 IonicContact OE1-CZ 3.86Å; E107-R134 IonicContact OE1-NH2 2.68Å; E107-R134 PolarHBondContact OE1-NH2 3.11Å; E107-R134 IonicContact OE2-NH2 3.63Å; L130-R134 WeakPolarHBondContact O-CB 3.32Å; L130-R134 PolarHBondContact O-N 3.27Å; G131-R134 PolarHBondContact O-N 3.42Å; R134-C137 PolarHBondContact O-N 3.48Å; R134-A138 WeakPolarHBondContact O-CB 3.45Å; R134-A138 PolarHBondContact O-N 3.48Å |
| 135 | Q | 91.5 | Very high | 85.3 | Confident | 129 Ų | 129 | 101.1 Ų | 101.1 | 60% | 0.603 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -67.7 | -45.9 | 176.7 | -171.6 | 173.9 | -0.9 | 0 | 0 | 112.1 | G131 E132 L133 C137 A138 I139 | G131-Q135 WeakPolarHBondContact O-CB 3.31Å; G131-Q135 PolarHBondContact O-N 3.06Å; E132-Q135 PolarHBondContact O-N 3.05Å; L133-Q135 VanDerWaalsContact C-N 3.3Å; L133-Q135 PolarHBondContact O-N 3.17Å; Q135-C137 VanDerWaalsContact C-N 3.33Å; Q135-C137 PolarHBondContact O-N 3.08Å; Q135-A138 WeakPolarHBondContact O-CB 3.35Å; Q135-A138 PolarHBondContact O-N 3.36Å; Q135-A138 VanDerWaalsContact O-N 3.15Å; Q135-I139 HydrophobicContact CG-CD1 4.13Å; Q135-I139 WeakPolarHBondContact O-CG1 3.19Å; Q135-I139 PolarHBondContact O-N 3.5Å |
| 136 | R | 89.4 | Confident | 85.3 | Confident | 138 Ų | 138 | 99.5 Ų | 99.5 | 52% | 0.521 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.7 | -41.8 | 173.1 | -72 | 173.1 | -174.6 | 120.3 | 13 | 111.3 | E132 L133 I139 L140 | E132-R136 WeakPolarHBondContact O-CB 3.32Å; E132-R136 VanDerWaalsContact O-CG 3.3Å; E132-R136 WeakPolarHBondContact O-CG 3.48Å; E132-R136 PolarHBondContact O-N 3.04Å; E132-R136 IonicContact OE2-CZ 2.73Å; E132-R136 VanDerWaalsContact OE2-CZ 3.24Å; E132-R136 IonicContact OE2-NH1 3.13Å; E132-R136 PolarHBondContact OE2-NH1 2.63Å; E132-R136 IonicContact OE2-NH2 3.93Å; E132-R136 PolarHBondContact OE2-NH2 2.83Å; L133-R136 PolarHBondContact O-N 3.42Å; R136-I139 PolarHBondContact O-N 2.9Å; R136-L140 VanDerWaalsContact O-CB 3.3Å; R136-L140 WeakPolarHBondContact O-CB 3.34Å; R136-L140 WeakPolarHBondContact O-CD1 3.46Å; R136-L140 VanDerWaalsContact O-CG 3.27Å; R136-L140 WeakPolarHBondContact O-CG 3.36Å; R136-L140 PolarHBondContact O-N 2.75Å |
| 137 | C | 86.1 | Confident | 85 | Confident | 59 Ų | 59 | 99.1 Ų | 99.1 | 40% | 0.399 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.8 | -31.7 | 174.7 | -71.5 | 0 | 0 | 0 | 0 | 113.4 | L133 R134 Q135 K141 | L133-C137 VanDerWaalsContact O-CB 3.32Å; L133-C137 WeakPolarHBondContact O-CB 3.44Å; L133-C137 PolarHBondContact O-N 2.85Å; L133-C137 PolarHBondContact O-SG 3.21Å; R134-C137 PolarHBondContact O-N 3.48Å; Q135-C137 VanDerWaalsContact C-N 3.33Å; Q135-C137 PolarHBondContact O-N 3.08Å; C137-K141 WeakPolarHBondContact O-CB 3.49Å; C137-K141 VanDerWaalsContact O-CG 3.31Å; C137-K141 WeakPolarHBondContact O-CG 3.38Å; C137-K141 PolarHBondContact O-N 2.83Å |
| 138 | A | 90.9 | Very high | 84.4 | Confident | 56 Ų | 56 | 103 Ų | 103 | 46% | 0.463 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.2 | -48.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | R134 Q135 K141 E142 | R134-A138 WeakPolarHBondContact O-CB 3.45Å; R134-A138 PolarHBondContact O-N 3.48Å; Q135-A138 WeakPolarHBondContact O-CB 3.35Å; Q135-A138 PolarHBondContact O-N 3.36Å; Q135-A138 VanDerWaalsContact O-N 3.15Å; A138-K141 WeakPolarHBondContact O-CB 3.34Å; A138-K141 PolarHBondContact O-N 2.91Å; A138-E142 PolarHBondContact O-N 2.81Å |
| 139 | I | 90 | Very high | 83.7 | Confident | 77 Ų | 77 | 101.7 Ų | 101.7 | 40% | 0.395 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -57.2 | -52.2 | 174.8 | -66.5 | 163.9 | 0 | 0 | 0 | 110.1 | Q135 R136 K141 E142 E143 | Q135-I139 HydrophobicContact CG-CD1 4.13Å; Q135-I139 WeakPolarHBondContact O-CG1 3.19Å; Q135-I139 PolarHBondContact O-N 3.5Å; R136-I139 PolarHBondContact O-N 2.9Å; I139-K141 VanDerWaalsContact C-N 3.29Å; I139-K141 PolarHBondContact O-N 3.45Å; I139-E142 CarbonylContact O-C 3.58Å; I139-E142 PolarHBondContact O-N 2.94Å; I139-E143 HydrophobicContact CG2-CG 4.18Å; I139-E143 WeakPolarHBondContact CG2-OE1 3.31Å; I139-E143 WeakPolarHBondContact O-CB 3.43Å; I139-E143 WeakPolarHBondContact O-CG 3.36Å; I139-E143 PolarHBondContact O-N 3.46Å |
| 140 | L | 85.9 | Confident | 82.6 | Confident | 92 Ų | 92 | 103 Ų | 103 | 48% | 0.482 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.3 | -32.2 | 178 | -74.9 | 165.4 | 0 | 0 | 0 | 113.3 | R136 N144 | R136-L140 VanDerWaalsContact O-CB 3.3Å; R136-L140 WeakPolarHBondContact O-CB 3.34Å; R136-L140 WeakPolarHBondContact O-CD1 3.46Å; R136-L140 VanDerWaalsContact O-CG 3.27Å; R136-L140 WeakPolarHBondContact O-CG 3.36Å; R136-L140 PolarHBondContact O-N 2.75Å; L140-N144 VanDerWaalsContact O-CB 3.24Å; L140-N144 WeakPolarHBondContact O-CB 3.24Å; L140-N144 PolarHBondContact O-N 3.3Å; L140-N144 PolarHBondContact O-ND2 3.14Å |
| 141 | K | 88.9 | Confident | 81.2 | Confident | 148 Ų | 148 | 101.2 Ų | 101.2 | 64% | 0.643 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -68.2 | -40.9 | 172.2 | -86.1 | -174.4 | 175.4 | -165.7 | 0 | 111.4 | C137 A138 I139 Q145 | C137-K141 WeakPolarHBondContact O-CB 3.49Å; C137-K141 VanDerWaalsContact O-CG 3.31Å; C137-K141 WeakPolarHBondContact O-CG 3.38Å; C137-K141 PolarHBondContact O-N 2.83Å; A138-K141 WeakPolarHBondContact O-CB 3.34Å; A138-K141 PolarHBondContact O-N 2.91Å; I139-K141 VanDerWaalsContact C-N 3.29Å; I139-K141 PolarHBondContact O-N 3.45Å; K141-Q145 WeakPolarHBondContact O-CB 3.46Å; K141-Q145 PolarHBondContact O-N 3.47Å |
| 142 | E | 88.1 | Confident | 79.6 | Confident | 134 Ų | 134 | 106.8 Ų | 106.8 | 63% | 0.626 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -71.6 | -43.7 | 179.5 | -168.4 | 154.6 | -124.3 | 0 | 0 | 111.6 | A138 I139 Q145 M146 | A138-E142 PolarHBondContact O-N 2.81Å; I139-E142 CarbonylContact O-C 3.58Å; I139-E142 PolarHBondContact O-N 2.94Å; E142-Q145 CarbonylContact O-C 3.53Å; E142-Q145 WeakPolarHBondContact O-CA 3.27Å; E142-Q145 WeakPolarHBondContact O-CB 3.3Å; E142-Q145 PolarHBondContact O-N 3.36Å; E142-M146 WeakPolarHBondContact O-CG 3.45Å; E142-M146 PolarHBondContact O-N 2.87Å |
| 143 | E | 83.5 | Confident | 78.1 | Confident | 94 Ų | 94 | 106.5 Ų | 106.5 | 44% | 0.439 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -58 | -46.3 | 169 | -71.7 | 174.1 | 164.6 | 0 | 0 | 111.6 | I139 Q145 M146 L147 | I139-E143 HydrophobicContact CG2-CG 4.18Å; I139-E143 WeakPolarHBondContact CG2-OE1 3.31Å; I139-E143 WeakPolarHBondContact O-CB 3.43Å; I139-E143 WeakPolarHBondContact O-CG 3.36Å; I139-E143 PolarHBondContact O-N 3.46Å; E143-Q145 VanDerWaalsContact C-N 3.25Å; E143-Q145 PolarHBondContact O-N 2.96Å; E143-M146 CarbonylContact O-C 3.58Å; E143-M146 PolarHBondContact O-N 3.25Å; E143-M146 VanDerWaalsContact O-N 3.14Å; E143-L147 WeakPolarHBondContact O-CB 3.33Å; E143-L147 VanDerWaalsContact O-CG 3.29Å; E143-L147 WeakPolarHBondContact O-CG 3.46Å; E143-L147 PolarHBondContact O-N 2.83Å |
| 144 | N | 78.7 | Confident | 76.5 | Confident | 71 Ų | 71 | 107.3 Ų | 107.3 | 38% | 0.38 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.4 | -33.1 | 173.5 | -92.1 | -96.4 | 0 | 0 | 0 | 112.3 | L140 R148 | L140-N144 VanDerWaalsContact O-CB 3.24Å; L140-N144 WeakPolarHBondContact O-CB 3.24Å; L140-N144 PolarHBondContact O-N 3.3Å; L140-N144 PolarHBondContact O-ND2 3.14Å; N144-R148 WeakPolarHBondContact O-CB 3.5Å; N144-R148 WeakPolarHBondContact O-CD 3.32Å; N144-R148 WeakPolarHBondContact O-CG 3.45Å; N144-R148 PolarHBondContact O-N 3.36Å |
| 145 | Q | 82.1 | Confident | 75.2 | Confident | 102 Ų | 102 | 103.3 Ų | 103.3 | 48% | 0.477 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -70.9 | -36.5 | 174.5 | -157.3 | -163.9 | 109.6 | 0 | 0 | 111.6 | K141 E142 E143 R148 K149 | K141-Q145 WeakPolarHBondContact O-CB 3.46Å; K141-Q145 PolarHBondContact O-N 3.47Å; E142-Q145 CarbonylContact O-C 3.53Å; E142-Q145 WeakPolarHBondContact O-CA 3.27Å; E142-Q145 WeakPolarHBondContact O-CB 3.3Å; E142-Q145 PolarHBondContact O-N 3.36Å; E143-Q145 VanDerWaalsContact C-N 3.25Å; E143-Q145 PolarHBondContact O-N 2.96Å; Q145-R148 PolarHBondContact O-N 2.95Å; Q145-K149 VanDerWaalsContact O-CG 3.3Å; Q145-K149 WeakPolarHBondContact O-CG 3.49Å; Q145-K149 PolarHBondContact O-N 2.85Å; Q145-K149 VanDerWaalsContact OE1-CE 3.24Å |
| 146 | M | 71.6 | Confident | 74.2 | Confident | 111 Ų | 111 | 102.3 Ų | 102.3 | 55% | 0.547 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69.5 | -44.3 | 174.1 | -70.5 | -64.3 | -77.2 | 0 | 0 | 111.5 | E142 E143 R148 K149 S150 | E142-M146 WeakPolarHBondContact O-CG 3.45Å; E142-M146 PolarHBondContact O-N 2.87Å; E143-M146 CarbonylContact O-C 3.58Å; E143-M146 PolarHBondContact O-N 3.25Å; E143-M146 VanDerWaalsContact O-N 3.14Å; M146-R148 VanDerWaalsContact C-N 3.27Å; M146-R148 PolarHBondContact O-N 3.45Å; M146-K149 CarbonylContact O-C 3.54Å; M146-K149 WeakPolarHBondContact O-CA 3.48Å; M146-K149 WeakPolarHBondContact O-CB 3.27Å; M146-K149 PolarHBondContact O-N 3.39Å; M146-K149 HydrophobicContact SD-CD 4.14Å; M146-S150 PolarHBondContact O-N 3.22Å; M146-S150 PolarHBondContact O-OG 3.41Å |
| 147 | L | 68.4 | Low | 73.4 | Confident | 104 Ų | 104 | 101.1 Ų | 101.1 | 55% | 0.545 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.5 | -34 | 173 | -71.1 | 169.2 | 0 | 0 | 0 | 112.2 | E143 K149 S150 S151 | E143-L147 WeakPolarHBondContact O-CB 3.33Å; E143-L147 VanDerWaalsContact O-CG 3.29Å; E143-L147 WeakPolarHBondContact O-CG 3.46Å; E143-L147 PolarHBondContact O-N 2.83Å; L147-K149 VanDerWaalsContact C-N 3.28Å; L147-K149 PolarHBondContact O-N 3.1Å; L147-S150 WeakPolarHBondContact CA-OG 3.39Å; L147-S151 VanDerWaalsContact O-CB 3.24Å; L147-S151 WeakPolarHBondContact O-CB 3.3Å; L147-S151 PolarHBondContact O-N 2.87Å; L147-S151 PolarHBondContact O-OG 3.42Å |
| 148 | R | 68.1 | Low | 73 | Confident | 192 Ų | 192 | 102.8 Ų | 102.8 | 73% | 0.725 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -75.9 | -8.9 | 171.9 | -73.3 | 169.7 | -175.9 | 167.9 | 2.3 | 114.5 | N144 Q145 M146 | N144-R148 WeakPolarHBondContact O-CB 3.5Å; N144-R148 WeakPolarHBondContact O-CD 3.32Å; N144-R148 WeakPolarHBondContact O-CG 3.45Å; N144-R148 PolarHBondContact O-N 3.36Å; Q145-R148 PolarHBondContact O-N 2.95Å; M146-R148 VanDerWaalsContact C-N 3.27Å; M146-R148 PolarHBondContact O-N 3.45Å |
| 149 | K | 67.4 | Low | 72.6 | Confident | 123 Ų | 123 | 103.4 Ų | 103.4 | 54% | 0.535 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -99.5 | -32.3 | 170.6 | -66.5 | 163.6 | -170.3 | 167.4 | 0 | 112.1 | Q145 M146 L147 | Q145-K149 VanDerWaalsContact O-CG 3.3Å; Q145-K149 WeakPolarHBondContact O-CG 3.49Å; Q145-K149 PolarHBondContact O-N 2.85Å; Q145-K149 VanDerWaalsContact OE1-CE 3.24Å; M146-K149 CarbonylContact O-C 3.54Å; M146-K149 WeakPolarHBondContact O-CA 3.48Å; M146-K149 WeakPolarHBondContact O-CB 3.27Å; M146-K149 PolarHBondContact O-N 3.39Å; M146-K149 HydrophobicContact SD-CD 4.14Å; L147-K149 VanDerWaalsContact C-N 3.28Å; L147-K149 PolarHBondContact O-N 3.1Å |
| 150 | S | 59.7 | Low | 72.2 | Confident | 79 Ų | 79 | 105.5 Ų | 105.5 | 55% | 0.552 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -90.7 | -24.5 | -179.3 | 64 | 0 | 0 | 0 | 0 | 113.7 | M146 L147 P153 | M146-S150 PolarHBondContact O-N 3.22Å; M146-S150 PolarHBondContact O-OG 3.41Å; L147-S150 WeakPolarHBondContact CA-OG 3.39Å; S150-P153 WeakPolarHBondContact O-CD 3.3Å; S150-P153 WeakPolarHBondContact O-CG 3.48Å |
| 151 | S | 57.6 | Low | 72.1 | Confident | 54 Ų | 54 | 108.2 Ų | 108.2 | 38% | 0.378 | 51% | 0.514 | S | S | . | . | S | Bend | trans | -80.5 | 144.5 | 160.6 | 66.8 | 0 | 0 | 0 | 0 | 110.6 | L147 P153 | L147-S151 VanDerWaalsContact O-CB 3.24Å; L147-S151 WeakPolarHBondContact O-CB 3.3Å; L147-S151 PolarHBondContact O-N 2.87Å; L147-S151 PolarHBondContact O-OG 3.42Å; S151-P153 VanDerWaalsContact O-CD 3.28Å; S151-P153 WeakPolarHBondContact O-CD 3.48Å |
| 152 | F | 53.4 | Low | 72.1 | Confident | 154 Ų | 154 | 106.1 Ų | 106.1 | 68% | 0.675 | 51% | 0.509 | S | S | * | . | S | Bend | trans | 71.8 | 1.5 | -176.6 | -59.6 | -88.5 | 0 | 0 | 0 | 121.4 | E154 T155 E156 | F152-E154 VanDerWaalsContact C-N 3.27Å; F152-E154 PolarHBondContact O-N 3.32Å; F152-T155 HydrophobicContact CD1-CG2 3.92Å; F152-T155 WeakPolarHBondContact CD1-OG1 3.44Å; F152-T155 HydrophobicContact CE1-CG2 4.48Å; F152-T155 PolarHBondContact O-N 2.92Å; F152-T155 VanDerWaalsContact O-N 3.14Å; F152-T155 PolarHBondContact O-OG1 3.27Å; F152-E156 PolarHBondContact O-N 3.45Å |
| 153 | P | 57.4 | Low | 72.2 | Confident | 66 Ų | 66 | 107 Ų | 107 | 43% | 0.429 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.1 | -38.7 | 172 | 27.8 | -33.8 | 0 | 0 | 0 | 110.9 | S150 S151 T155 E156 E157 | S150-P153 WeakPolarHBondContact O-CD 3.3Å; S150-P153 WeakPolarHBondContact O-CG 3.48Å; S151-P153 VanDerWaalsContact O-CD 3.28Å; S151-P153 WeakPolarHBondContact O-CD 3.48Å; P153-T155 VanDerWaalsContact C-N 3.3Å; P153-T155 PolarHBondContact O-N 3.37Å; P153-E156 PolarHBondContact O-N 3.5Å; P153-E157 WeakPolarHBondContact O-CB 3.19Å; P153-E157 PolarHBondContact O-N 2.87Å |
| 154 | E | 56.1 | Low | 72.5 | Confident | 120 Ų | 120 | 108.8 Ų | 108.8 | 56% | 0.561 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -50.6 | -46.2 | 172.8 | -81.8 | -145.5 | 114 | 0 | 0 | 112.9 | F152 K158 | F152-E154 VanDerWaalsContact C-N 3.27Å; F152-E154 PolarHBondContact O-N 3.32Å; E154-K158 HydrophobicContact CB-CD 4.39Å; E154-K158 WeakPolarHBondContact O-CB 3.3Å; E154-K158 VanDerWaalsContact O-CD 3.26Å; E154-K158 WeakPolarHBondContact O-CD 3.38Å; E154-K158 WeakPolarHBondContact O-CG 3.35Å; E154-K158 PolarHBondContact O-N 3.38Å; E154-K158 VanDerWaalsContact OE1-CE 3.31Å; E154-K158 WeakPolarHBondContact OE1-CE 3.41Å; E154-K158 IonicContact OE1-NZ 2.7Å; E154-K158 PolarHBondContact OE1-NZ 3.09Å; E154-K158 IonicContact OE2-NZ 2.76Å; E154-K158 PolarHBondContact OE2-NZ 3.31Å |
| 155 | T | 63.7 | Low | 73.2 | Confident | 67 Ų | 67 | 110.4 Ų | 110.4 | 41% | 0.411 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -71.4 | -39.2 | -174.3 | 56 | 0 | 0 | 0 | 0 | 111.6 | F152 P153 K158 V159 | F152-T155 HydrophobicContact CD1-CG2 3.92Å; F152-T155 WeakPolarHBondContact CD1-OG1 3.44Å; F152-T155 HydrophobicContact CE1-CG2 4.48Å; F152-T155 PolarHBondContact O-N 2.92Å; F152-T155 VanDerWaalsContact O-N 3.14Å; F152-T155 PolarHBondContact O-OG1 3.27Å; P153-T155 VanDerWaalsContact C-N 3.3Å; P153-T155 PolarHBondContact O-N 3.37Å; T155-K158 PolarHBondContact O-N 2.82Å; T155-V159 WeakPolarHBondContact O-CG2 3.44Å; T155-V159 PolarHBondContact O-N 3.43Å |
| 156 | E | 70.6 | Confident | 73.5 | Confident | 107 Ų | 107 | 110.5 Ų | 110.5 | 50% | 0.5 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -70 | -38.9 | 177.3 | -152.4 | -162.5 | -176.7 | 0 | 0 | 110.8 | F152 P153 V159 R160 | F152-E156 PolarHBondContact O-N 3.45Å; P153-E156 PolarHBondContact O-N 3.5Å; E156-V159 PolarHBondContact O-N 3.48Å; E156-R160 WeakPolarHBondContact O-CG 3.5Å; E156-R160 PolarHBondContact O-N 2.89Å; E156-R160 IonicContact OE1-CZ 2.67Å; E156-R160 IonicContact OE1-NH1 3.33Å; E156-R160 IonicContact OE1-NH2 3.66Å; E156-R160 PolarHBondContact OE1-NH2 2.83Å; E156-R160 IonicContact OE2-CZ 2.74Å; E156-R160 IonicContact OE2-NH1 3.61Å; E156-R160 PolarHBondContact OE2-NH1 3.47Å; E156-R160 IonicContact OE2-NH2 3.4Å; E156-R160 PolarHBondContact OE2-NH2 2.91Å |
| 157 | E | 74.3 | Confident | 74.5 | Confident | 114 Ų | 114 | 108 Ų | 108 | 53% | 0.533 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.5 | -40.9 | 172.3 | 179.9 | 154.8 | -144.7 | 0 | 0 | 112.8 | P153 V159 R160 R161 | P153-E157 WeakPolarHBondContact O-CB 3.19Å; P153-E157 PolarHBondContact O-N 2.87Å; E157-V159 VanDerWaalsContact C-N 3.25Å; E157-V159 PolarHBondContact O-N 2.82Å; E157-R160 CarbonylContact O-C 3.49Å; E157-R160 PolarHBondContact O-N 3.26Å; E157-R160 VanDerWaalsContact O-N 3.1Å; E157-R161 VanDerWaalsContact O-CB 3.26Å; E157-R161 WeakPolarHBondContact O-CB 3.27Å; E157-R161 PolarHBondContact O-N 3.42Å |
| 158 | K | 77.1 | Confident | 75.6 | Confident | 93 Ų | 93 | 108.1 Ų | 108.1 | 40% | 0.404 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.7 | -39.2 | 172.4 | -74.1 | 161.5 | -168 | -180 | 0 | 110.2 | E154 T155 R161 L162 | E154-K158 HydrophobicContact CB-CD 4.39Å; E154-K158 WeakPolarHBondContact O-CB 3.3Å; E154-K158 VanDerWaalsContact O-CD 3.26Å; E154-K158 WeakPolarHBondContact O-CD 3.38Å; E154-K158 WeakPolarHBondContact O-CG 3.35Å; E154-K158 PolarHBondContact O-N 3.38Å; E154-K158 VanDerWaalsContact OE1-CE 3.31Å; E154-K158 WeakPolarHBondContact OE1-CE 3.41Å; E154-K158 IonicContact OE1-NZ 2.7Å; E154-K158 PolarHBondContact OE1-NZ 3.09Å; E154-K158 IonicContact OE2-NZ 2.76Å; E154-K158 PolarHBondContact OE2-NZ 3.31Å; T155-K158 PolarHBondContact O-N 2.82Å; K158-R161 PolarHBondContact O-N 3.3Å; K158-L162 WeakPolarHBondContact O-CB 3.44Å; K158-L162 VanDerWaalsContact O-CG 3.26Å; K158-L162 WeakPolarHBondContact O-CG 3.36Å; K158-L162 PolarHBondContact O-N 2.8Å |
| 159 | V | 82.5 | Confident | 76.6 | Confident | 69 Ų | 69 | 104 Ų | 104 | 42% | 0.418 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.5 | -43.5 | 171 | 168.7 | 0 | 0 | 0 | 0 | 112.5 | T155 E156 E157 R161 L162 K163 | T155-V159 WeakPolarHBondContact O-CG2 3.44Å; T155-V159 PolarHBondContact O-N 3.43Å; E156-V159 PolarHBondContact O-N 3.48Å; E157-V159 VanDerWaalsContact C-N 3.25Å; E157-V159 PolarHBondContact O-N 2.82Å; V159-R161 VanDerWaalsContact C-N 3.32Å; V159-R161 PolarHBondContact O-N 2.83Å; V159-L162 PolarHBondContact O-N 2.99Å; V159-K163 HydrophobicContact CG1-CD 4.16Å; V159-K163 WeakPolarHBondContact O-CB 3.45Å; V159-K163 WeakPolarHBondContact O-CG 3.24Å; V159-K163 PolarHBondContact O-N 3.45Å |
| 160 | R | 82.2 | Confident | 77.8 | Confident | 122 Ų | 122 | 100.8 Ų | 100.8 | 46% | 0.46 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.9 | -37.3 | 174.2 | -71.6 | 177.4 | -178.5 | 103.5 | 4 | 112.3 | E156 E157 R164 | E156-R160 WeakPolarHBondContact O-CG 3.5Å; E156-R160 PolarHBondContact O-N 2.89Å; E156-R160 IonicContact OE1-CZ 2.67Å; E156-R160 IonicContact OE1-NH1 3.33Å; E156-R160 IonicContact OE1-NH2 3.66Å; E156-R160 PolarHBondContact OE1-NH2 2.83Å; E156-R160 IonicContact OE2-CZ 2.74Å; E156-R160 IonicContact OE2-NH1 3.61Å; E156-R160 PolarHBondContact OE2-NH1 3.47Å; E156-R160 IonicContact OE2-NH2 3.4Å; E156-R160 PolarHBondContact OE2-NH2 2.91Å; E157-R160 CarbonylContact O-C 3.49Å; E157-R160 PolarHBondContact O-N 3.26Å; E157-R160 VanDerWaalsContact O-N 3.1Å; R160-R164 WeakPolarHBondContact O-CG 3.39Å; R160-R164 PolarHBondContact O-N 3.42Å; R160-R164 PolarHBondContact O-NE 2.88Å |
| 161 | R | 83.9 | Confident | 79.4 | Confident | 149 Ų | 149 | 100.8 Ų | 100.8 | 56% | 0.562 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -70.2 | -40.9 | 176.9 | -173.5 | -179.8 | -179.5 | -152.5 | 5.2 | 111.3 | E157 K158 V159 R164 K165 | E157-R161 VanDerWaalsContact O-CB 3.26Å; E157-R161 WeakPolarHBondContact O-CB 3.27Å; E157-R161 PolarHBondContact O-N 3.42Å; K158-R161 PolarHBondContact O-N 3.3Å; V159-R161 VanDerWaalsContact C-N 3.32Å; V159-R161 PolarHBondContact O-N 2.83Å; R161-R164 PolarHBondContact O-N 2.83Å; R161-K165 WeakPolarHBondContact O-CG 3.38Å; R161-K165 PolarHBondContact O-N 3.38Å |
| 162 | L | 87.6 | Confident | 81 | Confident | 103 Ų | 103 | 102.5 Ų | 102.5 | 54% | 0.539 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.4 | -42.3 | 172.1 | -75 | 166.6 | 0 | 0 | 0 | 112.1 | K158 V159 R164 K165 N166 | K158-L162 WeakPolarHBondContact O-CB 3.44Å; K158-L162 VanDerWaalsContact O-CG 3.26Å; K158-L162 WeakPolarHBondContact O-CG 3.36Å; K158-L162 PolarHBondContact O-N 2.8Å; V159-L162 PolarHBondContact O-N 2.99Å; L162-R164 PolarHBondContact O-N 2.85Å; L162-K165 PolarHBondContact O-N 2.93Å; L162-N166 WeakPolarHBondContact O-CB 3.46Å; L162-N166 PolarHBondContact O-N 3.15Å |
| 163 | K | 90 | Very high | 82.8 | Confident | 152 Ų | 152 | 97.4 Ų | 97.4 | 66% | 0.661 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -60.7 | -41.9 | 174.5 | -75.4 | 176.3 | 178.3 | 180 | 0 | 112.1 | V159 A167 | V159-K163 HydrophobicContact CG1-CD 4.16Å; V159-K163 WeakPolarHBondContact O-CB 3.45Å; V159-K163 WeakPolarHBondContact O-CG 3.24Å; V159-K163 PolarHBondContact O-N 3.45Å; K163-A167 PolarHBondContact O-N 3.46Å; K163-A167 VanDerWaalsContact O-N 3.15Å |
| 164 | R | 90.9 | Very high | 84.5 | Confident | 132 Ų | 132 | 101.1 Ų | 101.1 | 50% | 0.498 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.3 | -54.4 | 171.9 | -78.7 | -179.5 | -81.8 | 170.6 | -8 | 111.8 | R160 R161 L162 N166 A167 E168 | R160-R164 WeakPolarHBondContact O-CG 3.39Å; R160-R164 PolarHBondContact O-N 3.42Å; R160-R164 PolarHBondContact O-NE 2.88Å; R161-R164 PolarHBondContact O-N 2.83Å; L162-R164 PolarHBondContact O-N 2.85Å; R164-N166 VanDerWaalsContact C-N 3.31Å; R164-N166 PolarHBondContact O-N 2.9Å; R164-A167 WeakPolarHBondContact O-CB 3.43Å; R164-A167 PolarHBondContact O-N 3.26Å; R164-E168 WeakPolarHBondContact O-CG 3.4Å; R164-E168 PolarHBondContact O-N 3.46Å |
| 165 | K | 92.4 | Very high | 86.2 | Confident | 105 Ų | 105 | 103.5 Ų | 103.5 | 46% | 0.457 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.6 | -38 | 178.3 | -74.4 | -169.1 | 171.1 | -163.9 | 0 | 113.4 | R161 L162 E168 L169 | R161-K165 WeakPolarHBondContact O-CG 3.38Å; R161-K165 PolarHBondContact O-N 3.38Å; L162-K165 PolarHBondContact O-N 2.93Å; K165-E168 PolarHBondContact O-N 2.78Å; K165-L169 WeakPolarHBondContact O-CB 3.24Å; K165-L169 VanDerWaalsContact O-CG 3.27Å; K165-L169 WeakPolarHBondContact O-CG 3.29Å; K165-L169 PolarHBondContact O-N 3.01Å |
| 166 | N | 88.2 | Confident | 87.6 | Confident | 105 Ų | 105 | 105.2 Ų | 105.2 | 56% | 0.561 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -67.8 | -34.7 | 176.3 | -74.2 | 1.9 | 0 | 0 | 0 | 112.4 | L162 R164 A170 | L162-N166 WeakPolarHBondContact O-CB 3.46Å; L162-N166 PolarHBondContact O-N 3.15Å; R164-N166 VanDerWaalsContact C-N 3.31Å; R164-N166 PolarHBondContact O-N 2.9Å; N166-A170 PolarHBondContact O-N 2.95Å |
| 167 | A | 92.3 | Very high | 88.6 | Confident | 58 Ų | 58 | 104.6 Ų | 104.6 | 48% | 0.479 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.9 | -41.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | K163 R164 A170 V171 | K163-A167 PolarHBondContact O-N 3.46Å; K163-A167 VanDerWaalsContact O-N 3.15Å; R164-A167 WeakPolarHBondContact O-CB 3.43Å; R164-A167 PolarHBondContact O-N 3.26Å; A167-A170 PolarHBondContact O-N 3.06Å; A167-V171 WeakPolarHBondContact O-CG2 3.3Å; A167-V171 PolarHBondContact O-N 3.19Å |
| 168 | E | 91.5 | Very high | 89.5 | Confident | 106 Ų | 106 | 103.8 Ų | 103.8 | 50% | 0.495 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.3 | -46.7 | 173.3 | -68.9 | 155.7 | -149.4 | 0 | 0 | 111.4 | R164 K165 A170 V171 I172 | R164-E168 WeakPolarHBondContact O-CG 3.4Å; R164-E168 PolarHBondContact O-N 3.46Å; K165-E168 PolarHBondContact O-N 2.78Å; E168-A170 VanDerWaalsContact C-N 3.34Å; E168-A170 PolarHBondContact O-N 2.81Å; E168-V171 PolarHBondContact O-N 2.97Å; E168-V171 VanDerWaalsContact O-N 3.17Å; E168-I172 WeakPolarHBondContact O-CG1 3.43Å; E168-I172 PolarHBondContact O-N 2.85Å |
| 169 | L | 90.2 | Very high | 90.1 | Very high | 107 Ų | 107 | 106.6 Ų | 106.6 | 56% | 0.56 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60 | -40.1 | 175.3 | -73.9 | 170.4 | 0 | 0 | 0 | 112.3 | K165 V171 I172 A173 | K165-L169 WeakPolarHBondContact O-CB 3.24Å; K165-L169 VanDerWaalsContact O-CG 3.27Å; K165-L169 WeakPolarHBondContact O-CG 3.29Å; K165-L169 PolarHBondContact O-N 3.01Å; L169-V171 VanDerWaalsContact C-N 3.35Å; L169-V171 PolarHBondContact O-N 3.17Å; L169-I172 PolarHBondContact O-N 2.93Å; L169-A173 WeakPolarHBondContact O-CB 3.24Å; L169-A173 PolarHBondContact O-N 3.33Å |
| 170 | A | 91.6 | Very high | 90.4 | Very high | 55 Ų | 55 | 105.3 Ų | 105.3 | 46% | 0.455 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.2 | -35.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | N166 A167 E168 K174 | N166-A170 PolarHBondContact O-N 2.95Å; A167-A170 PolarHBondContact O-N 3.06Å; E168-A170 VanDerWaalsContact C-N 3.34Å; E168-A170 PolarHBondContact O-N 2.81Å; A170-K174 PolarHBondContact O-N 2.94Å; A170-K174 VanDerWaalsContact O-N 3.11Å |
| 171 | V | 93.9 | Very high | 90.9 | Very high | 78 Ų | 78 | 106.9 Ų | 106.9 | 47% | 0.473 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -70 | -39.8 | 173.7 | 172.6 | 0 | 0 | 0 | 0 | 111.3 | A167 E168 L169 R175 | A167-V171 WeakPolarHBondContact O-CG2 3.3Å; A167-V171 PolarHBondContact O-N 3.19Å; E168-V171 PolarHBondContact O-N 2.97Å; E168-V171 VanDerWaalsContact O-N 3.17Å; L169-V171 VanDerWaalsContact C-N 3.35Å; L169-V171 PolarHBondContact O-N 3.17Å; V171-R175 WeakPolarHBondContact O-CG 3.28Å; V171-R175 PolarHBondContact O-N 3.16Å |
| 172 | I | 91.3 | Very high | 91.2 | Very high | 91 Ų | 91 | 105.3 Ų | 105.3 | 47% | 0.467 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.4 | -45.4 | 175 | -67.9 | 165 | 0 | 0 | 0 | 110.4 | E168 L169 K174 R175 L176 | E168-I172 WeakPolarHBondContact O-CG1 3.43Å; E168-I172 PolarHBondContact O-N 2.85Å; L169-I172 PolarHBondContact O-N 2.93Å; I172-K174 PolarHBondContact O-N 3.14Å; I172-R175 PolarHBondContact O-N 2.83Å; I172-L176 HydrophobicContact CG2-CD1 3.94Å; I172-L176 HydrophobicContact CG2-CG 4.35Å; I172-L176 WeakPolarHBondContact O-CG 3.45Å; I172-L176 PolarHBondContact O-N 3.26Å |
| 173 | A | 90.5 | Very high | 91.1 | Very high | 47 Ų | 47 | 105.5 Ų | 105.5 | 39% | 0.388 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -56.8 | -50.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L169 R175 L176 E177 | L169-A173 WeakPolarHBondContact O-CB 3.24Å; L169-A173 PolarHBondContact O-N 3.33Å; A173-R175 VanDerWaalsContact C-N 3.33Å; A173-R175 PolarHBondContact O-N 2.92Å; A173-L176 PolarHBondContact O-N 2.76Å; A173-L176 VanDerWaalsContact O-N 3.08Å; A173-E177 PolarHBondContact O-N 2.75Å |
| 174 | K | 93.4 | Very high | 90.8 | Very high | 144 Ų | 144 | 104.5 Ų | 104.5 | 63% | 0.626 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59.4 | -39.8 | 175.3 | -77.2 | -173.6 | 175.4 | -172.7 | 0 | 113.1 | A170 I172 L176 E177 E178 | A170-K174 PolarHBondContact O-N 2.94Å; A170-K174 VanDerWaalsContact O-N 3.11Å; I172-K174 PolarHBondContact O-N 3.14Å; K174-L176 VanDerWaalsContact C-N 3.34Å; K174-L176 PolarHBondContact O-N 3.34Å; K174-E177 PolarHBondContact O-N 3.49Å; K174-E178 PolarHBondContact O-N 2.99Å |
| 175 | R | 93.1 | Very high | 90.5 | Very high | 170 Ų | 170 | 102.5 Ų | 102.5 | 64% | 0.642 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66.7 | -33.3 | 174.9 | -75.2 | 178.3 | 175.6 | -167.6 | 0.8 | 112.8 | V171 I172 A173 R179 | V171-R175 WeakPolarHBondContact O-CG 3.28Å; V171-R175 PolarHBondContact O-N 3.16Å; I172-R175 PolarHBondContact O-N 2.83Å; A173-R175 VanDerWaalsContact C-N 3.33Å; A173-R175 PolarHBondContact O-N 2.92Å; R175-R179 WeakPolarHBondContact O-CB 3.46Å; R175-R179 VanDerWaalsContact O-CG 3.3Å; R175-R179 WeakPolarHBondContact O-CG 3.19Å; R175-R179 PolarHBondContact O-N 2.89Å |
| 176 | L | 91.3 | Very high | 89.7 | Confident | 102 Ų | 102 | 100.8 Ų | 100.8 | 53% | 0.534 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -72.5 | -42 | 174.4 | -70.9 | 172.9 | 0 | 0 | 0 | 111.4 | I172 A173 K174 R179 A180 | I172-L176 HydrophobicContact CG2-CD1 3.94Å; I172-L176 HydrophobicContact CG2-CG 4.35Å; I172-L176 WeakPolarHBondContact O-CG 3.45Å; I172-L176 PolarHBondContact O-N 3.26Å; A173-L176 PolarHBondContact O-N 2.76Å; A173-L176 VanDerWaalsContact O-N 3.08Å; K174-L176 VanDerWaalsContact C-N 3.34Å; K174-L176 PolarHBondContact O-N 3.34Å; L176-R179 PolarHBondContact O-N 3.46Å; L176-A180 WeakPolarHBondContact O-CB 3.03Å; L176-A180 PolarHBondContact O-N 2.82Å |
| 177 | E | 92.6 | Very high | 89.2 | Confident | 94 Ų | 94 | 100.6 Ų | 100.6 | 44% | 0.439 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.2 | -47.5 | 170.4 | -76.9 | -176.2 | -125.2 | 0 | 0 | 111.9 | A173 K174 R179 A180 R181 | A173-E177 PolarHBondContact O-N 2.75Å; K174-E177 PolarHBondContact O-N 3.49Å; E177-R179 VanDerWaalsContact C-N 3.35Å; E177-R179 PolarHBondContact O-N 2.63Å; E177-A180 PolarHBondContact O-N 3.14Å; E177-R181 WeakPolarHBondContact O-CB 3.37Å; E177-R181 VanDerWaalsContact O-CG 3.28Å; E177-R181 WeakPolarHBondContact O-CG 3.4Å; E177-R181 PolarHBondContact O-N 3.32Å; E177-R181 IonicContact OE2-CZ 2.76Å; E177-R181 IonicContact OE2-NE 2.72Å; E177-R181 IonicContact OE2-NH2 3.16Å; E177-R181 PolarHBondContact OE2-NH2 2.87Å |
| 178 | E | 93.4 | Very high | 88.4 | Confident | 98 Ų | 98 | 103.9 Ų | 103.9 | 46% | 0.458 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.5 | -43 | 176.2 | -83.6 | -170.1 | -133.3 | 0 | 0 | 112.3 | K174 A180 K182 | K174-E178 PolarHBondContact O-N 2.99Å; E178-A180 VanDerWaalsContact C-N 3.34Å; E178-K182 VanDerWaalsContact O-CB 3.31Å; E178-K182 WeakPolarHBondContact O-CB 3.44Å; E178-K182 WeakPolarHBondContact O-CD 3.47Å; E178-K182 VanDerWaalsContact O-CG 3.24Å; E178-K182 WeakPolarHBondContact O-CG 3.26Å; E178-K182 PolarHBondContact O-N 3.34Å; E178-K182 IonicContact OE2-NZ 2.73Å; E178-K182 PolarHBondContact OE2-NZ 3.28Å |
| 179 | R | 90.1 | Very high | 87.4 | Confident | 151 Ų | 151 | 106.6 Ų | 106.6 | 57% | 0.57 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.4 | -40.1 | 175.1 | -78.7 | 176.6 | 173.3 | -170.3 | -1.9 | 111 | R175 L176 E177 L183 | R175-R179 WeakPolarHBondContact O-CB 3.46Å; R175-R179 VanDerWaalsContact O-CG 3.3Å; R175-R179 WeakPolarHBondContact O-CG 3.19Å; R175-R179 PolarHBondContact O-N 2.89Å; L176-R179 PolarHBondContact O-N 3.46Å; E177-R179 VanDerWaalsContact C-N 3.35Å; E177-R179 PolarHBondContact O-N 2.63Å; R179-L183 WeakPolarHBondContact O-CB 3.26Å; R179-L183 VanDerWaalsContact O-CG 3.26Å; R179-L183 WeakPolarHBondContact O-CG 3.05Å; R179-L183 PolarHBondContact O-N 3.29Å |
| 180 | A | 88.9 | Confident | 86.1 | Confident | 43 Ų | 43 | 106.7 Ų | 106.7 | 36% | 0.355 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.6 | -47 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | L176 E177 E178 K182 L183 Q184 | L176-A180 WeakPolarHBondContact O-CB 3.03Å; L176-A180 PolarHBondContact O-N 2.82Å; E177-A180 PolarHBondContact O-N 3.14Å; E178-A180 VanDerWaalsContact C-N 3.34Å; A180-K182 PolarHBondContact O-N 3.46Å; A180-L183 PolarHBondContact O-N 3.32Å; A180-Q184 WeakPolarHBondContact O-CB 3.35Å; A180-Q184 VanDerWaalsContact O-CG 3.3Å; A180-Q184 WeakPolarHBondContact O-CG 3.38Å; A180-Q184 PolarHBondContact O-N 3.45Å |
| 181 | R | 91.1 | Very high | 84.6 | Confident | 155 Ų | 155 | 110.1 Ų | 110.1 | 59% | 0.585 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -59.8 | -44.7 | 175.2 | -67.5 | 172.8 | -158 | -136.1 | 8.5 | 111.4 | E177 Q184 E185 | E177-R181 WeakPolarHBondContact O-CB 3.37Å; E177-R181 VanDerWaalsContact O-CG 3.28Å; E177-R181 WeakPolarHBondContact O-CG 3.4Å; E177-R181 PolarHBondContact O-N 3.32Å; E177-R181 IonicContact OE2-CZ 2.76Å; E177-R181 IonicContact OE2-NE 2.72Å; E177-R181 IonicContact OE2-NH2 3.16Å; E177-R181 PolarHBondContact OE2-NH2 2.87Å; R181-Q184 PolarHBondContact O-N 2.83Å; R181-E185 WeakPolarHBondContact O-CB 3.26Å; R181-E185 PolarHBondContact O-N 2.75Å |
| 182 | K | 90.4 | Very high | 82.6 | Confident | 116 Ų | 116 | 110.5 Ų | 110.5 | 50% | 0.504 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.3 | -38.7 | 175.9 | -73.3 | 162 | -176.9 | 160.4 | 0 | 112.1 | E178 A180 E185 T186 | E178-K182 VanDerWaalsContact O-CB 3.31Å; E178-K182 WeakPolarHBondContact O-CB 3.44Å; E178-K182 WeakPolarHBondContact O-CD 3.47Å; E178-K182 VanDerWaalsContact O-CG 3.24Å; E178-K182 WeakPolarHBondContact O-CG 3.26Å; E178-K182 PolarHBondContact O-N 3.34Å; E178-K182 IonicContact OE2-NZ 2.73Å; E178-K182 PolarHBondContact OE2-NZ 3.28Å; A180-K182 PolarHBondContact O-N 3.46Å; K182-E185 PolarHBondContact O-N 3.44Å; K182-T186 WeakPolarHBondContact O-CG2 3.5Å; K182-T186 PolarHBondContact O-N 3.4Å; K182-T186 PolarHBondContact O-OG1 3.05Å |
| 183 | L | 86.8 | Confident | 80.5 | Confident | 107 Ų | 107 | 109.1 Ų | 109.1 | 56% | 0.56 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -67.7 | -41.4 | 174.6 | -77.9 | 167.9 | 0 | 0 | 0 | 112.5 | R179 A180 T186 N187 | R179-L183 WeakPolarHBondContact O-CB 3.26Å; R179-L183 VanDerWaalsContact O-CG 3.26Å; R179-L183 WeakPolarHBondContact O-CG 3.05Å; R179-L183 PolarHBondContact O-N 3.29Å; A180-L183 PolarHBondContact O-N 3.32Å; L183-T186 WeakPolarHBondContact CA-OG1 3.27Å; L183-T186 PolarHBondContact O-N 3.1Å; L183-T186 PolarHBondContact O-OG1 3.35Å; L183-N187 WeakPolarHBondContact O-CB 3.42Å; L183-N187 VanDerWaalsContact O-CG 3.25Å; L183-N187 PolarHBondContact O-N 3.47Å |
| 184 | Q | 84 | Confident | 78.6 | Confident | 130 Ų | 130 | 112.5 Ų | 112.5 | 61% | 0.607 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -61.3 | -44.5 | 172.9 | -74.1 | 168.5 | -26.3 | 0 | 0 | 111 | A180 R181 N187 L188 | A180-Q184 WeakPolarHBondContact O-CB 3.35Å; A180-Q184 VanDerWaalsContact O-CG 3.3Å; A180-Q184 WeakPolarHBondContact O-CG 3.38Å; A180-Q184 PolarHBondContact O-N 3.45Å; R181-Q184 PolarHBondContact O-N 2.83Å; Q184-N187 PolarHBondContact O-N 2.78Å; Q184-L188 WeakPolarHBondContact O-CB 3.35Å; Q184-L188 PolarHBondContact O-N 3.29Å |
| 185 | E | 82.7 | Confident | 76.5 | Confident | 91 Ų | 91 | 114.1 Ų | 114.1 | 43% | 0.425 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -61.5 | -45.1 | 175 | -170 | -170.2 | 171.2 | 0 | 0 | 112 | R181 K182 L188 R189 | R181-E185 WeakPolarHBondContact O-CB 3.26Å; R181-E185 PolarHBondContact O-N 2.75Å; K182-E185 PolarHBondContact O-N 3.44Å; E185-L188 PolarHBondContact O-N 2.87Å; E185-R189 WeakPolarHBondContact O-CB 3.37Å; E185-R189 VanDerWaalsContact O-CG 3.27Å; E185-R189 WeakPolarHBondContact O-CG 3.29Å; E185-R189 PolarHBondContact O-N 2.92Å; E185-R189 IonicContact OE1-CZ 3.64Å; E185-R189 IonicContact OE1-NE 2.72Å; E185-R189 PolarHBondContact OE1-NE 3.43Å; E185-R189 IonicContact OE1-NH2 3.74Å; E185-R189 PolarHBondContact OE1-NH2 2.91Å |
| 186 | T | 76.8 | Confident | 74.4 | Confident | 68 Ų | 68 | 111.8 Ų | 111.8 | 42% | 0.417 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -67.1 | -38.5 | 176.3 | 51.1 | 0 | 0 | 0 | 0 | 112.6 | K182 L183 R189 V190 | K182-T186 WeakPolarHBondContact O-CG2 3.5Å; K182-T186 PolarHBondContact O-N 3.4Å; K182-T186 PolarHBondContact O-OG1 3.05Å; L183-T186 WeakPolarHBondContact CA-OG1 3.27Å; L183-T186 PolarHBondContact O-N 3.1Å; L183-T186 PolarHBondContact O-OG1 3.35Å; T186-R189 PolarHBondContact O-N 2.96Å; T186-V190 WeakPolarHBondContact O-CB 3.38Å; T186-V190 VanDerWaalsContact O-CG2 3.29Å; T186-V190 WeakPolarHBondContact O-CG2 3.3Å; T186-V190 PolarHBondContact O-N 3.31Å |
| 187 | N | 76.4 | Confident | 72.7 | Confident | 102 Ų | 102 | 118.2 Ų | 118.2 | 55% | 0.545 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -64.9 | -42.6 | 175.8 | -76.5 | -12.5 | 0 | 0 | 0 | 110.8 | L183 Q184 R189 V190 V191 | L183-N187 WeakPolarHBondContact O-CB 3.42Å; L183-N187 VanDerWaalsContact O-CG 3.25Å; L183-N187 PolarHBondContact O-N 3.47Å; Q184-N187 PolarHBondContact O-N 2.78Å; N187-R189 PolarHBondContact O-N 2.89Å; N187-V190 PolarHBondContact O-N 2.88Å; N187-V191 WeakPolarHBondContact O-CB 3.4Å; N187-V191 VanDerWaalsContact O-CG2 3.27Å; N187-V191 WeakPolarHBondContact O-CG2 3.26Å; N187-V191 PolarHBondContact O-N 2.9Å |
| 188 | L | 77.3 | Confident | 70.7 | Confident | 126 Ų | 126 | 119.3 Ų | 119.3 | 66% | 0.66 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -60.8 | -46.1 | 175.6 | -166.4 | 68.9 | 0 | 0 | 0 | 110.9 | Q184 E185 V190 V191 S192 | Q184-L188 WeakPolarHBondContact O-CB 3.35Å; Q184-L188 PolarHBondContact O-N 3.29Å; E185-L188 PolarHBondContact O-N 2.87Å; L188-V190 VanDerWaalsContact C-N 3.34Å; L188-V190 PolarHBondContact O-N 3.01Å; L188-V191 PolarHBondContact O-N 3.34Å; L188-S192 VanDerWaalsContact O-CB 3.3Å; L188-S192 WeakPolarHBondContact O-CB 3.47Å; L188-S192 PolarHBondContact O-N 2.99Å; L188-S192 PolarHBondContact O-OG 2.89Å; L188-S192 VanDerWaalsContact O-OG 3.1Å |
| 189 | R | 69.3 | Low | 68.7 | Low | 163 Ų | 163 | 117 Ų | 117 | 62% | 0.615 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -62.8 | -33.5 | 176 | -72.2 | 173.5 | -178.5 | -146.8 | 1.2 | 113.8 | E185 T186 N187 S192 A193 | E185-R189 WeakPolarHBondContact O-CB 3.37Å; E185-R189 VanDerWaalsContact O-CG 3.27Å; E185-R189 WeakPolarHBondContact O-CG 3.29Å; E185-R189 PolarHBondContact O-N 2.92Å; E185-R189 IonicContact OE1-CZ 3.64Å; E185-R189 IonicContact OE1-NE 2.72Å; E185-R189 PolarHBondContact OE1-NE 3.43Å; E185-R189 IonicContact OE1-NH2 3.74Å; E185-R189 PolarHBondContact OE1-NH2 2.91Å; T186-R189 PolarHBondContact O-N 2.96Å; N187-R189 PolarHBondContact O-N 2.89Å; R189-S192 PolarHBondContact O-OG 2.74Å; R189-A193 WeakPolarHBondContact O-CB 3.37Å; R189-A193 PolarHBondContact O-N 3.37Å |
| 190 | V | 64.2 | Low | 67.3 | Low | 110 Ų | 110 | 115.6 Ų | 115.6 | 67% | 0.667 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -76 | -39.4 | 176.3 | 167.9 | 0 | 0 | 0 | 0 | 111.2 | T186 N187 L188 S192 A193 | T186-V190 WeakPolarHBondContact O-CB 3.38Å; T186-V190 VanDerWaalsContact O-CG2 3.29Å; T186-V190 WeakPolarHBondContact O-CG2 3.3Å; T186-V190 PolarHBondContact O-N 3.31Å; N187-V190 PolarHBondContact O-N 2.88Å; L188-V190 VanDerWaalsContact C-N 3.34Å; L188-V190 PolarHBondContact O-N 3.01Å; V190-S192 VanDerWaalsContact C-N 3.33Å; V190-A193 PolarHBondContact O-N 2.89Å |
| 191 | V | 58.8 | Low | 65.9 | Low | 127 Ų | 127 | 117.5 Ų | 117.5 | 77% | 0.77 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -71.3 | -28.1 | 176.5 | 171.8 | 0 | 0 | 0 | 0 | 111.8 | N187 L188 | N187-V191 WeakPolarHBondContact O-CB 3.4Å; N187-V191 VanDerWaalsContact O-CG2 3.27Å; N187-V191 WeakPolarHBondContact O-CG2 3.26Å; N187-V191 PolarHBondContact O-N 2.9Å; L188-V191 PolarHBondContact O-N 3.34Å |
| 192 | S | 53.1 | Low | 64.7 | Low | 86 Ų | 86 | 114.3 Ų | 114.3 | 60% | 0.601 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | 7.5 | 177.4 | 75.8 | 0 | 0 | 0 | 0 | 114.9 | L188 R189 V190 P194 | L188-S192 VanDerWaalsContact O-CB 3.3Å; L188-S192 WeakPolarHBondContact O-CB 3.47Å; L188-S192 PolarHBondContact O-N 2.99Å; L188-S192 PolarHBondContact O-OG 2.89Å; L188-S192 VanDerWaalsContact O-OG 3.1Å; R189-S192 PolarHBondContact O-OG 2.74Å; V190-S192 VanDerWaalsContact C-N 3.33Å; S192-P194 WeakPolarHBondContact O-CD 3.22Å |
| 193 | A | 45.5 | Very low | 63.6 | Low | 61 Ų | 61 | 113.6 Ų | 113.6 | 50% | 0.504 | 63% | 0.633 | S | S | . | * | P | Polyproline II helix | trans | -91.6 | 119.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | R189 V190 | R189-A193 WeakPolarHBondContact O-CB 3.37Å; R189-A193 PolarHBondContact O-N 3.37Å; V190-A193 PolarHBondContact O-N 2.89Å |
| 194 | P | 52.2 | Low | 63 | Low | 118 Ų | 118 | 114.2 Ų | 114.2 | 77% | 0.766 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -66 | 137.6 | 176.1 | -21.3 | 34 | 0 | 0 | 0 | 112.6 | S192 P196 | S192-P194 WeakPolarHBondContact O-CD 3.22Å; P194-P196 WeakPolarHBondContact O-CD 3.37Å |
| 195 | L | 48.6 | Very low | 62.4 | Low | 178 Ų | 178 | 111.7 Ų | 111.7 | 93% | 0.932 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -63 | 116.8 | 179.8 | -77.7 | 164.2 | 0 | 0 | 0 | 112.5 | ||
| 196 | P | 49 | Very low | 62.1 | Low | 122 Ų | 122 | 114.3 Ų | 114.3 | 79% | 0.792 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 142 | 175.8 | -10.8 | 29 | 0 | 0 | 0 | 112.2 | P194 | P194-P196 WeakPolarHBondContact O-CD 3.37Š|
| 197 | R | 55.9 | Low | 62.4 | Low | 236 Ų | 236 | 117.3 Ų | 117.3 | 89% | 0.891 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 151.9 | 167 | -76.6 | 178.9 | 173.5 | 162.1 | -2.4 | 110.7 | ||
| 198 | P | 51 | Low | 62.6 | Low | 118 Ų | 118 | 115.2 Ų | 115.2 | 77% | 0.766 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 134.4 | -173.7 | 27.1 | -35 | 0 | 0 | 0 | 112.5 | ||
| 199 | G | 51.2 | Low | 62.9 | Low | 50 Ų | 50 | 113.9 Ų | 113.9 | 52% | 0.515 | 64% | 0.635 | S | S | . | * | trans | -139.4 | 170.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | S201 L202 | G199-S201 PolarHBondContact O-N 2.85Å; G199-L202 PolarHBondContact O-N 2.9Å | ||
| 200 | T | 59.9 | Low | 63.6 | Low | 121 Ų | 121 | 108.9 Ų | 108.9 | 74% | 0.742 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48.2 | -27.3 | -169 | 50.6 | 0 | 0 | 0 | 0 | 116.6 | L202 E203 L204 | T200-L202 PolarHBondContact O-N 3.3Å; T200-E203 PolarHBondContact O-N 3.49Å; T200-E203 VanDerWaalsContact O-N 3.11Å; T200-L204 PolarHBondContact O-N 3.41Å; T200-L204 VanDerWaalsContact O-N 3.14Å |
| 201 | S | 59.6 | Low | 64.6 | Low | 83 Ų | 83 | 111.5 Ų | 111.5 | 58% | 0.58 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -54.6 | -36.6 | 173.7 | -177.5 | 0 | 0 | 0 | 0 | 113 | G199 E203 L204 C205 | G199-S201 PolarHBondContact O-N 2.85Å; S201-E203 VanDerWaalsContact C-N 3.33Å; S201-E203 PolarHBondContact O-N 2.75Å; S201-L204 PolarHBondContact O-N 2.93Å; S201-C205 PolarHBondContact O-N 3.2Å |
| 202 | L | 67 | Low | 65.9 | Low | 87 Ų | 87 | 109.1 Ų | 109.1 | 46% | 0.455 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -64 | -38.2 | 178 | -168.9 | 73.3 | 0 | 0 | 0 | 112 | G199 T200 C205 R206 | G199-L202 PolarHBondContact O-N 2.9Å; T200-L202 PolarHBondContact O-N 3.3Å; L202-C205 PolarHBondContact O-N 3.06Å; L202-R206 WeakPolarHBondContact O-CG 3.48Å; L202-R206 PolarHBondContact O-N 2.85Å |
| 203 | E | 67.3 | Low | 67.5 | Low | 101 Ų | 101 | 112.7 Ų | 112.7 | 47% | 0.472 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -71.7 | -35.6 | 176.6 | -73.6 | -52.9 | 129.4 | 0 | 0 | 112.4 | T200 S201 C205 R206 K207 | T200-E203 PolarHBondContact O-N 3.49Å; T200-E203 VanDerWaalsContact O-N 3.11Å; S201-E203 VanDerWaalsContact C-N 3.33Å; S201-E203 PolarHBondContact O-N 2.75Å; E203-C205 VanDerWaalsContact C-N 3.34Å; E203-R206 PolarHBondContact O-N 3.49Å; E203-R206 WeakPolarHBondContact OE1-CD 3.37Å; E203-R206 IonicContact OE1-CZ 2.75Å; E203-R206 IonicContact OE1-NE 2.63Å; E203-R206 IonicContact OE1-NH1 3.14Å; E203-R206 PolarHBondContact OE1-NH1 2.69Å; E203-K207 WeakPolarHBondContact O-CB 3.41Å; E203-K207 PolarHBondContact O-N 2.86Å |
| 204 | L | 72.4 | Confident | 69.5 | Low | 121 Ų | 121 | 112.6 Ų | 112.6 | 63% | 0.634 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -62.9 | -42 | 171.4 | -66.6 | 176.2 | 0 | 0 | 0 | 111.2 | T200 S201 K207 A208 | T200-L204 PolarHBondContact O-N 3.41Å; T200-L204 VanDerWaalsContact O-N 3.14Å; S201-L204 PolarHBondContact O-N 2.93Å; L204-K207 PolarHBondContact O-N 3.24Å; L204-A208 WeakPolarHBondContact O-CB 3.42Å; L204-A208 PolarHBondContact O-N 3.09Å |
| 205 | C | 71.4 | Confident | 71.2 | Confident | 77 Ų | 77 | 113.9 Ų | 113.9 | 52% | 0.52 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -62.4 | -46.9 | 172.6 | -73.1 | 0 | 0 | 0 | 0 | 112.3 | S201 L202 E203 K207 A208 L209 | S201-C205 PolarHBondContact O-N 3.2Å; L202-C205 PolarHBondContact O-N 3.06Å; E203-C205 VanDerWaalsContact C-N 3.34Å; C205-K207 VanDerWaalsContact C-N 3.35Å; C205-K207 PolarHBondContact O-N 2.88Å; C205-A208 PolarHBondContact O-N 3.22Å; C205-L209 WeakPolarHBondContact O-CB 3.39Å; C205-L209 PolarHBondContact O-N 2.86Å |
| 206 | R | 76.9 | Confident | 73.1 | Confident | 145 Ų | 145 | 108.7 Ų | 108.7 | 55% | 0.547 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -58.1 | -45.1 | 175.4 | -75.9 | 166.8 | 170.6 | 179.1 | -3.8 | 111.9 | L202 E203 L209 A210 | L202-R206 WeakPolarHBondContact O-CG 3.48Å; L202-R206 PolarHBondContact O-N 2.85Å; E203-R206 PolarHBondContact O-N 3.49Å; E203-R206 WeakPolarHBondContact OE1-CD 3.37Å; E203-R206 IonicContact OE1-CZ 2.75Å; E203-R206 IonicContact OE1-NE 2.63Å; E203-R206 IonicContact OE1-NH1 3.14Å; E203-R206 PolarHBondContact OE1-NH1 2.69Å; R206-L209 PolarHBondContact O-N 3.19Å; R206-A210 WeakPolarHBondContact O-CB 3.4Å; R206-A210 PolarHBondContact O-N 3.04Å |
| 207 | K | 83.4 | Confident | 75.1 | Confident | 131 Ų | 131 | 108.6 Ų | 108.6 | 57% | 0.57 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -68.1 | -34.3 | 179.1 | -164.5 | 168 | -172 | 170.3 | 0 | 112.4 | E203 L204 C205 R211 | E203-K207 WeakPolarHBondContact O-CB 3.41Å; E203-K207 PolarHBondContact O-N 2.86Å; L204-K207 PolarHBondContact O-N 3.24Å; C205-K207 VanDerWaalsContact C-N 3.35Å; C205-K207 PolarHBondContact O-N 2.88Å; K207-R211 WeakPolarHBondContact O-CB 3.36Å; K207-R211 WeakPolarHBondContact O-CD 3.22Å; K207-R211 VanDerWaalsContact O-CG 3.23Å; K207-R211 WeakPolarHBondContact O-CG 3.17Å; K207-R211 PolarHBondContact O-N 2.65Å |
| 208 | A | 80.4 | Confident | 76.7 | Confident | 58 Ų | 58 | 100.5 Ų | 100.5 | 48% | 0.479 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -68.1 | -44.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L204 C205 R211 Q212 | L204-A208 WeakPolarHBondContact O-CB 3.42Å; L204-A208 PolarHBondContact O-N 3.09Å; C205-A208 PolarHBondContact O-N 3.22Å; A208-R211 WeakPolarHBondContact O-CB 3.45Å; A208-R211 PolarHBondContact O-N 3.06Å; A208-Q212 PolarHBondContact O-N 3.13Å |
| 209 | L | 82.9 | Confident | 78.6 | Confident | 98 Ų | 98 | 100.1 Ų | 100.1 | 51% | 0.513 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.9 | -38.5 | 179.5 | -144.4 | 167.2 | 0 | 0 | 0 | 111.5 | C205 R206 Q212 R213 | C205-L209 WeakPolarHBondContact O-CB 3.39Å; C205-L209 PolarHBondContact O-N 2.86Å; R206-L209 PolarHBondContact O-N 3.19Å; L209-Q212 PolarHBondContact O-N 2.79Å; L209-R213 HydrophobicContact CD2-CG 4.2Å; L209-R213 VanDerWaalsContact CD2-NE 3.35Å; L209-R213 WeakPolarHBondContact O-CG 3.42Å; L209-R213 PolarHBondContact O-N 3.27Å |
| 210 | A | 85.6 | Confident | 80.2 | Confident | 58 Ų | 58 | 101.7 Ų | 101.7 | 48% | 0.479 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.8 | -41.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | R206 Q212 R213 A214 | R206-A210 WeakPolarHBondContact O-CB 3.4Å; R206-A210 PolarHBondContact O-N 3.04Å; A210-Q212 VanDerWaalsContact C-N 3.34Å; A210-R213 PolarHBondContact O-N 2.9Å; A210-A214 WeakPolarHBondContact O-CB 3.31Å; A210-A214 PolarHBondContact O-N 2.82Å |
| 211 | R | 84.4 | Confident | 81.6 | Confident | 165 Ų | 165 | 98.1 Ų | 98.1 | 62% | 0.623 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.6 | -36.1 | 173.9 | -79.1 | 171 | 168.8 | -170 | -6.3 | 112.7 | K207 A208 A214 R215 | K207-R211 WeakPolarHBondContact O-CB 3.36Å; K207-R211 WeakPolarHBondContact O-CD 3.22Å; K207-R211 VanDerWaalsContact O-CG 3.23Å; K207-R211 WeakPolarHBondContact O-CG 3.17Å; K207-R211 PolarHBondContact O-N 2.65Å; A208-R211 WeakPolarHBondContact O-CB 3.45Å; A208-R211 PolarHBondContact O-N 3.06Å; R211-A214 PolarHBondContact O-N 3.4Å; R211-R215 WeakPolarHBondContact O-CG 3.38Å; R211-R215 PolarHBondContact O-N 3.42Å; R211-R215 VanDerWaalsContact O-N 3.16Å |
| 212 | Q | 86.5 | Confident | 82.9 | Confident | 78 Ų | 78 | 97.6 Ų | 97.6 | 36% | 0.364 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.4 | -48.7 | 175.1 | -168 | 55.6 | 40.8 | 0 | 0 | 110.8 | A208 L209 A210 A214 R215 D216 | A208-Q212 PolarHBondContact O-N 3.13Å; L209-Q212 PolarHBondContact O-N 2.79Å; A210-Q212 VanDerWaalsContact C-N 3.34Å; Q212-A214 PolarHBondContact O-N 3.39Å; Q212-A214 VanDerWaalsContact O-N 3.16Å; Q212-R215 CarbonylContact O-C 3.54Å; Q212-R215 WeakPolarHBondContact O-CA 3.37Å; Q212-R215 WeakPolarHBondContact O-CB 3.31Å; Q212-R215 PolarHBondContact O-N 2.82Å; Q212-D216 PolarHBondContact NE2-OD1 2.74Å; Q212-D216 PolarHBondContact O-N 3.27Å |
| 213 | R | 87.1 | Confident | 83.9 | Confident | 161 Ų | 161 | 96 Ų | 96 | 61% | 0.608 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -53.7 | -38.8 | 173.6 | -71.6 | 173.5 | 179.9 | -168.1 | -1 | 113.1 | L209 A210 D216 L217 | L209-R213 HydrophobicContact CD2-CG 4.2Å; L209-R213 VanDerWaalsContact CD2-NE 3.35Å; L209-R213 WeakPolarHBondContact O-CG 3.42Å; L209-R213 PolarHBondContact O-N 3.27Å; A210-R213 PolarHBondContact O-N 2.9Å; R213-D216 WeakPolarHBondContact CA-OD2 3.37Å; R213-D216 PolarHBondContact O-N 2.98Å; R213-L217 WeakPolarHBondContact O-CB 3.16Å; R213-L217 VanDerWaalsContact O-CG 3.23Å; R213-L217 WeakPolarHBondContact O-CG 3.1Å; R213-L217 PolarHBondContact O-N 3.43Å |
| 214 | A | 86.8 | Confident | 84.8 | Confident | 59 Ų | 59 | 96.6 Ų | 96.6 | 49% | 0.488 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.6 | -36.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | A210 R211 Q212 S218 | A210-A214 WeakPolarHBondContact O-CB 3.31Å; A210-A214 PolarHBondContact O-N 2.82Å; R211-A214 PolarHBondContact O-N 3.4Å; Q212-A214 PolarHBondContact O-N 3.39Å; Q212-A214 VanDerWaalsContact O-N 3.16Å; A214-S218 WeakPolarHBondContact O-CB 3.14Å; A214-S218 PolarHBondContact O-N 3.11Å; A214-S218 PolarHBondContact O-OG 3.44Å |
| 215 | R | 87.7 | Confident | 85.7 | Confident | 145 Ų | 145 | 95.8 Ų | 95.8 | 55% | 0.547 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67 | -52.4 | 171.6 | -69.7 | 168.6 | 176.7 | 166.5 | -6.7 | 111.1 | R211 Q212 L217 S218 E219 | R211-R215 WeakPolarHBondContact O-CG 3.38Å; R211-R215 PolarHBondContact O-N 3.42Å; R211-R215 VanDerWaalsContact O-N 3.16Å; Q212-R215 CarbonylContact O-C 3.54Å; Q212-R215 WeakPolarHBondContact O-CA 3.37Å; Q212-R215 WeakPolarHBondContact O-CB 3.31Å; Q212-R215 PolarHBondContact O-N 2.82Å; R215-L217 PolarHBondContact O-N 3.43Å; R215-S218 WeakPolarHBondContact CA-OG 3.47Å; R215-S218 CarbonylContact O-C 3.59Å; R215-S218 WeakPolarHBondContact O-CA 3.21Å; R215-S218 PolarHBondContact O-N 2.81Å; R215-S218 PolarHBondContact O-OG 3.08Å; R215-E219 WeakPolarHBondContact O-CB 3.15Å; R215-E219 WeakPolarHBondContact O-CG 3.49Å; R215-E219 PolarHBondContact O-N 2.99Å |
| 216 | D | 89.1 | Confident | 86.5 | Confident | 68 Ų | 68 | 94.5 Ų | 94.5 | 36% | 0.364 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -53.4 | -41 | 179.5 | -48.1 | -29.5 | 0 | 0 | 0 | 111.3 | Q212 R213 T220 | Q212-D216 PolarHBondContact NE2-OD1 2.74Å; Q212-D216 PolarHBondContact O-N 3.27Å; R213-D216 WeakPolarHBondContact CA-OD2 3.37Å; R213-D216 PolarHBondContact O-N 2.98Å; D216-T220 WeakPolarHBondContact O-CG2 3.39Å; D216-T220 PolarHBondContact O-N 2.93Å; D216-T220 PolarHBondContact O-OG1 3.47Å |
| 217 | L | 90.9 | Very high | 86.8 | Confident | 121 Ų | 121 | 93.3 Ų | 93.3 | 63% | 0.634 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -69.9 | -40 | 174.4 | -71.8 | 169.9 | 0 | 0 | 0 | 113 | R213 R215 E219 T220 A221 | R213-L217 WeakPolarHBondContact O-CB 3.16Å; R213-L217 VanDerWaalsContact O-CG 3.23Å; R213-L217 WeakPolarHBondContact O-CG 3.1Å; R213-L217 PolarHBondContact O-N 3.43Å; R215-L217 PolarHBondContact O-N 3.43Å; L217-E219 VanDerWaalsContact C-N 3.33Å; L217-T220 PolarHBondContact O-OG1 3.39Å; L217-T220 VanDerWaalsContact O-OG1 3.11Å; L217-A221 WeakPolarHBondContact O-CB 3.44Å; L217-A221 PolarHBondContact O-N 3.38Å |
| 218 | S | 89.6 | Confident | 87.1 | Confident | 66 Ų | 66 | 91.2 Ų | 91.2 | 46% | 0.462 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.5 | -33.8 | 175.1 | 72.2 | 0 | 0 | 0 | 0 | 112.7 | A214 R215 S222 | A214-S218 WeakPolarHBondContact O-CB 3.14Å; A214-S218 PolarHBondContact O-N 3.11Å; A214-S218 PolarHBondContact O-OG 3.44Å; R215-S218 WeakPolarHBondContact CA-OG 3.47Å; R215-S218 CarbonylContact O-C 3.59Å; R215-S218 WeakPolarHBondContact O-CA 3.21Å; R215-S218 PolarHBondContact O-N 2.81Å; R215-S218 PolarHBondContact O-OG 3.08Å; S218-S222 WeakPolarHBondContact O-CB 3.26Å; S218-S222 PolarHBondContact O-N 3.1Å |
| 219 | E | 89.6 | Confident | 87.7 | Confident | 110 Ų | 110 | 95.8 Ų | 95.8 | 51% | 0.514 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -69.4 | -46.5 | 177 | -73.8 | 170.4 | -149.3 | 0 | 0 | 110.3 | R215 L217 A221 S222 A223 | R215-E219 WeakPolarHBondContact O-CB 3.15Å; R215-E219 WeakPolarHBondContact O-CG 3.49Å; R215-E219 PolarHBondContact O-N 2.99Å; L217-E219 VanDerWaalsContact C-N 3.33Å; E219-A221 PolarHBondContact O-N 3.12Å; E219-S222 PolarHBondContact O-N 3.14Å; E219-S222 PolarHBondContact O-OG 2.87Å; E219-A223 WeakPolarHBondContact O-CB 3.46Å; E219-A223 PolarHBondContact O-N 3.45Å |
| 220 | T | 86.7 | Confident | 88.1 | Confident | 82 Ų | 82 | 96 Ų | 96 | 50% | 0.503 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.4 | -40.5 | 174.6 | 54.1 | 0 | 0 | 0 | 0 | 112.2 | D216 L217 S222 A223 L224 | D216-T220 WeakPolarHBondContact O-CG2 3.39Å; D216-T220 PolarHBondContact O-N 2.93Å; D216-T220 PolarHBondContact O-OG1 3.47Å; L217-T220 PolarHBondContact O-OG1 3.39Å; L217-T220 VanDerWaalsContact O-OG1 3.11Å; T220-S222 PolarHBondContact O-N 3.1Å; T220-A223 PolarHBondContact O-N 2.92Å; T220-L224 WeakPolarHBondContact O-CG 3.32Å; T220-L224 PolarHBondContact O-N 2.99Å |
| 221 | A | 88.8 | Confident | 87.9 | Confident | 47 Ų | 47 | 97.3 Ų | 97.3 | 39% | 0.388 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.6 | -40.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L217 E219 A223 L224 L225 | L217-A221 WeakPolarHBondContact O-CB 3.44Å; L217-A221 PolarHBondContact O-N 3.38Å; E219-A221 PolarHBondContact O-N 3.12Å; A221-A223 VanDerWaalsContact C-N 3.34Å; A221-A223 PolarHBondContact O-N 3.35Å; A221-L224 PolarHBondContact O-N 2.82Å; A221-L225 WeakPolarHBondContact O-CG 3.49Å; A221-L225 PolarHBondContact O-N 3.18Å |
| 222 | S | 87.4 | Confident | 88.1 | Confident | 72 Ų | 72 | 91.5 Ų | 91.5 | 50% | 0.503 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.6 | -36.4 | 176.5 | 82.7 | 0 | 0 | 0 | 0 | 112.5 | S218 E219 T220 L225 A226 | S218-S222 WeakPolarHBondContact O-CB 3.26Å; S218-S222 PolarHBondContact O-N 3.1Å; E219-S222 PolarHBondContact O-N 3.14Å; E219-S222 PolarHBondContact O-OG 2.87Å; T220-S222 PolarHBondContact O-N 3.1Å; S222-L225 PolarHBondContact O-N 3.07Å; S222-A226 WeakPolarHBondContact O-CB 3.33Å; S222-A226 PolarHBondContact O-N 2.74Å |
| 223 | A | 86.6 | Confident | 88.1 | Confident | 54 Ų | 54 | 88.8 Ų | 88.8 | 45% | 0.446 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -71.1 | -37.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | E219 T220 A221 A226 K227 | E219-A223 WeakPolarHBondContact O-CB 3.46Å; E219-A223 PolarHBondContact O-N 3.45Å; T220-A223 PolarHBondContact O-N 2.92Å; A221-A223 VanDerWaalsContact C-N 3.34Å; A221-A223 PolarHBondContact O-N 3.35Å; A223-A226 PolarHBondContact O-N 2.89Å; A223-K227 WeakPolarHBondContact O-CG 3.41Å; A223-K227 PolarHBondContact O-N 3.35Å |
| 224 | L | 86.6 | Confident | 88 | Confident | 112 Ų | 112 | 85.9 Ų | 85.9 | 59% | 0.586 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -62.4 | -50 | 170.3 | -70.5 | 169.8 | 0 | 0 | 0 | 110.9 | T220 A221 A226 K227 D228 | T220-L224 WeakPolarHBondContact O-CG 3.32Å; T220-L224 PolarHBondContact O-N 2.99Å; A221-L224 PolarHBondContact O-N 2.82Å; L224-A226 PolarHBondContact O-N 3.43Å; L224-K227 CarbonylContact O-C 3.58Å; L224-K227 WeakPolarHBondContact O-CA 3.48Å; L224-K227 WeakPolarHBondContact O-CB 3.27Å; L224-K227 PolarHBondContact O-N 3.44Å; L224-D228 PolarHBondContact O-N 3.32Å |
| 225 | L | 90.6 | Very high | 87.8 | Confident | 105 Ų | 105 | 88.1 Ų | 88.1 | 55% | 0.55 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.7 | -28.3 | 176.2 | -69.9 | 172 | 0 | 0 | 0 | 113.4 | A221 S222 K229 | A221-L225 WeakPolarHBondContact O-CG 3.49Å; A221-L225 PolarHBondContact O-N 3.18Å; S222-L225 PolarHBondContact O-N 3.07Å; L225-K229 VanDerWaalsContact O-CG 3.26Å; L225-K229 WeakPolarHBondContact O-CG 3.34Å; L225-K229 PolarHBondContact O-N 2.9Å; L225-K229 VanDerWaalsContact O-N 3.16Å |
| 226 | A | 89 | Confident | 87.8 | Confident | 49 Ų | 49 | 88.7 Ų | 88.7 | 41% | 0.405 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -71.7 | -36 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | S222 A223 L224 K229 Q230 | S222-A226 WeakPolarHBondContact O-CB 3.33Å; S222-A226 PolarHBondContact O-N 2.74Å; A223-A226 PolarHBondContact O-N 2.89Å; L224-A226 PolarHBondContact O-N 3.43Å; A226-K229 PolarHBondContact O-N 2.9Å; A226-Q230 WeakPolarHBondContact O-CG 3.2Å; A226-Q230 PolarHBondContact O-N 2.99Å; A226-Q230 VanDerWaalsContact O-N 3.1Å |
| 227 | K | 84.2 | Confident | 87.7 | Confident | 121 Ų | 121 | 90.1 Ų | 90.1 | 53% | 0.526 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -69.9 | -41.1 | 173 | -73.9 | -75.1 | 164.3 | -164.6 | 0 | 112.2 | A223 L224 K229 Q230 I231 | A223-K227 WeakPolarHBondContact O-CG 3.41Å; A223-K227 PolarHBondContact O-N 3.35Å; L224-K227 CarbonylContact O-C 3.58Å; L224-K227 WeakPolarHBondContact O-CA 3.48Å; L224-K227 WeakPolarHBondContact O-CB 3.27Å; L224-K227 PolarHBondContact O-N 3.44Å; K227-K229 VanDerWaalsContact C-N 3.27Å; K227-K229 PolarHBondContact O-N 3.41Å; K227-Q230 WeakPolarHBondContact O-CA 3.39Å; K227-Q230 WeakPolarHBondContact O-CB 3.34Å; K227-Q230 PolarHBondContact O-N 3.28Å; K227-I231 WeakPolarHBondContact O-CG1 3.4Å; K227-I231 PolarHBondContact O-N 3.43Å |
| 228 | D | 88.9 | Confident | 87 | Confident | 87 Ų | 87 | 87.7 Ų | 87.7 | 47% | 0.465 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.6 | -37.9 | 173.8 | -63.3 | -34 | 0 | 0 | 0 | 111.5 | L224 I231 A232 | L224-D228 PolarHBondContact O-N 3.32Å; D228-I231 PolarHBondContact O-N 3.14Å; D228-A232 VanDerWaalsContact O-CB 3.3Å; D228-A232 WeakPolarHBondContact O-CB 3.39Å; D228-A232 PolarHBondContact O-N 2.84Å |
| 229 | K | 92.8 | Very high | 86.8 | Confident | 154 Ų | 154 | 91.7 Ų | 91.7 | 67% | 0.67 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -65.5 | -36.7 | 171.9 | -75.4 | 170.3 | -177.1 | 178 | 0 | 113.3 | L225 A226 K227 A233 | L225-K229 VanDerWaalsContact O-CG 3.26Å; L225-K229 WeakPolarHBondContact O-CG 3.34Å; L225-K229 PolarHBondContact O-N 2.9Å; L225-K229 VanDerWaalsContact O-N 3.16Å; A226-K229 PolarHBondContact O-N 2.9Å; K227-K229 VanDerWaalsContact C-N 3.27Å; K227-K229 PolarHBondContact O-N 3.41Å; K229-A233 WeakPolarHBondContact O-CB 3.47Å; K229-A233 PolarHBondContact O-N 2.67Å |
| 230 | Q | 90.4 | Very high | 86.5 | Confident | 103 Ų | 103 | 91.3 Ų | 91.3 | 48% | 0.481 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.2 | -44.2 | 172.8 | -73.2 | 178.8 | -16.3 | 0 | 0 | 111 | A226 K227 A232 A233 L234 | A226-Q230 WeakPolarHBondContact O-CG 3.2Å; A226-Q230 PolarHBondContact O-N 2.99Å; A226-Q230 VanDerWaalsContact O-N 3.1Å; K227-Q230 WeakPolarHBondContact O-CA 3.39Å; K227-Q230 WeakPolarHBondContact O-CB 3.34Å; K227-Q230 PolarHBondContact O-N 3.28Å; Q230-A232 VanDerWaalsContact C-N 3.35Å; Q230-A232 PolarHBondContact O-N 3.11Å; Q230-A233 WeakPolarHBondContact O-CB 3.12Å; Q230-A233 PolarHBondContact O-N 2.7Å; Q230-A233 VanDerWaalsContact O-N 3.12Å; Q230-L234 WeakPolarHBondContact O-CG 3.28Å; Q230-L234 PolarHBondContact O-N 3.22Å |
| 231 | I | 82.8 | Confident | 86 | Confident | 85 Ų | 85 | 92.6 Ų | 92.6 | 44% | 0.436 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.5 | -44.3 | 174.8 | -66.3 | 164 | 0 | 0 | 0 | 110.5 | K227 D228 A233 L234 Q235 | K227-I231 WeakPolarHBondContact O-CG1 3.4Å; K227-I231 PolarHBondContact O-N 3.43Å; D228-I231 PolarHBondContact O-N 3.14Å; I231-A233 VanDerWaalsContact C-N 3.27Å; I231-A233 PolarHBondContact O-N 3.48Å; I231-L234 PolarHBondContact O-N 2.96Å; I231-Q235 HydrophobicContact CG2-CG 4.27Å; I231-Q235 VanDerWaalsContact O-CB 3.29Å; I231-Q235 WeakPolarHBondContact O-CB 3.17Å; I231-Q235 VanDerWaalsContact O-CG 3.24Å; I231-Q235 WeakPolarHBondContact O-CG 3.27Å; I231-Q235 PolarHBondContact O-N 3.45Å |
| 232 | A | 87.6 | Confident | 85.2 | Confident | 42 Ų | 42 | 96.5 Ų | 96.5 | 35% | 0.347 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -71.3 | -15.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | D228 Q230 R236 | D228-A232 VanDerWaalsContact O-CB 3.3Å; D228-A232 WeakPolarHBondContact O-CB 3.39Å; D228-A232 PolarHBondContact O-N 2.84Å; Q230-A232 VanDerWaalsContact C-N 3.35Å; Q230-A232 PolarHBondContact O-N 3.11Å; A232-R236 WeakPolarHBondContact O-CG 3.49Å; A232-R236 PolarHBondContact O-NE 2.84Å |
| 233 | A | 87.7 | Confident | 84.5 | Confident | 21 Ų | 21 | 95.7 Ų | 95.7 | 17% | 0.174 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -80.1 | -54.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | K229 Q230 I231 Q235 R236 E237 | K229-A233 WeakPolarHBondContact O-CB 3.47Å; K229-A233 PolarHBondContact O-N 2.67Å; Q230-A233 WeakPolarHBondContact O-CB 3.12Å; Q230-A233 PolarHBondContact O-N 2.7Å; Q230-A233 VanDerWaalsContact O-N 3.12Å; I231-A233 VanDerWaalsContact C-N 3.27Å; I231-A233 PolarHBondContact O-N 3.48Å; A233-Q235 VanDerWaalsContact C-N 3.28Å; A233-Q235 PolarHBondContact O-N 3.31Å; A233-R236 WeakPolarHBondContact O-CA 3.47Å; A233-R236 WeakPolarHBondContact O-CB 3.19Å; A233-R236 PolarHBondContact O-N 3.12Å; A233-E237 PolarHBondContact O-N 2.84Å |
| 234 | L | 84.4 | Confident | 83.9 | Confident | 101 Ų | 101 | 100.3 Ų | 100.3 | 53% | 0.529 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -56.9 | -40.2 | 176.2 | -66.1 | 169.9 | 0 | 0 | 0 | 111.9 | Q230 I231 R236 E237 C238 | Q230-L234 WeakPolarHBondContact O-CG 3.28Å; Q230-L234 PolarHBondContact O-N 3.22Å; I231-L234 PolarHBondContact O-N 2.96Å; L234-R236 PolarHBondContact O-N 3.29Å; L234-E237 PolarHBondContact O-N 3.2Å; L234-C238 WeakPolarHBondContact O-CB 3.45Å; L234-C238 PolarHBondContact O-N 3.21Å; L234-C238 PolarHBondContact O-SG 3.47Å |
| 235 | Q | 83 | Confident | 82.7 | Confident | 105 Ų | 105 | 100.3 Ų | 100.3 | 49% | 0.491 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.9 | -20.3 | 173.7 | -75.9 | 177.7 | -1.7 | 0 | 0 | 114.1 | I231 A233 R239 | I231-Q235 HydrophobicContact CG2-CG 4.27Å; I231-Q235 VanDerWaalsContact O-CB 3.29Å; I231-Q235 WeakPolarHBondContact O-CB 3.17Å; I231-Q235 VanDerWaalsContact O-CG 3.24Å; I231-Q235 WeakPolarHBondContact O-CG 3.27Å; I231-Q235 PolarHBondContact O-N 3.45Å; A233-Q235 VanDerWaalsContact C-N 3.28Å; A233-Q235 PolarHBondContact O-N 3.31Å; Q235-R239 PolarHBondContact O-NE 3.05Å; Q235-R239 PolarHBondContact O-NH2 2.74Å |
| 236 | R | 87.8 | Confident | 81.5 | Confident | 157 Ų | 157 | 100.6 Ų | 100.6 | 59% | 0.592 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -84.8 | -43.4 | 170.8 | -75 | 178.2 | -66.4 | 132.3 | 1.5 | 110.4 | A232 A233 L234 C238 R239 E240 | A232-R236 WeakPolarHBondContact O-CG 3.49Å; A232-R236 PolarHBondContact O-NE 2.84Å; A233-R236 WeakPolarHBondContact O-CA 3.47Å; A233-R236 WeakPolarHBondContact O-CB 3.19Å; A233-R236 PolarHBondContact O-N 3.12Å; L234-R236 PolarHBondContact O-N 3.29Å; R236-C238 PolarHBondContact O-N 2.81Å; R236-R239 CarbonylContact O-C 3.58Å; R236-R239 PolarHBondContact O-N 2.78Å; R236-R239 VanDerWaalsContact O-N 3.13Å; R236-E240 PolarHBondContact O-N 3.22Å |
| 237 | E | 85.8 | Confident | 80 | Confident | 99 Ų | 99 | 105.8 Ų | 105.8 | 46% | 0.463 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -58.3 | -46.8 | 174.9 | -70 | 159.8 | -138 | 0 | 0 | 111.5 | A233 L234 R239 E240 L241 | A233-E237 PolarHBondContact O-N 2.84Å; L234-E237 PolarHBondContact O-N 3.2Å; E237-R239 VanDerWaalsContact C-N 3.32Å; E237-R239 PolarHBondContact O-N 3.46Å; E237-E240 PolarHBondContact O-N 2.63Å; E237-E240 VanDerWaalsContact O-N 3.16Å; E237-L241 WeakPolarHBondContact O-CB 3.47Å; E237-L241 VanDerWaalsContact O-CG 3.28Å; E237-L241 WeakPolarHBondContact O-CG 3.43Å; E237-L241 PolarHBondContact O-N 2.93Å |
| 238 | C | 77.9 | Confident | 78.6 | Confident | 69 Ų | 69 | 105.5 Ų | 105.5 | 47% | 0.466 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.5 | -38.1 | 174.2 | -66.9 | 0 | 0 | 0 | 0 | 112.8 | L234 R236 Q242 | L234-C238 WeakPolarHBondContact O-CB 3.45Å; L234-C238 PolarHBondContact O-N 3.21Å; L234-C238 PolarHBondContact O-SG 3.47Å; R236-C238 PolarHBondContact O-N 2.81Å; C238-Q242 VanDerWaalsContact O-CB 3.23Å; C238-Q242 WeakPolarHBondContact O-CB 3.29Å; C238-Q242 PolarHBondContact O-N 3.11Å |
| 239 | R | 84.1 | Confident | 76.9 | Confident | 150 Ų | 150 | 104.2 Ų | 104.2 | 57% | 0.566 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -70.3 | -35.1 | 175.2 | -83.7 | -179.9 | -74.1 | -176.2 | -6.6 | 112.4 | Q235 R236 E237 A243 | Q235-R239 PolarHBondContact O-NE 3.05Å; Q235-R239 PolarHBondContact O-NH2 2.74Å; R236-R239 CarbonylContact O-C 3.58Å; R236-R239 PolarHBondContact O-N 2.78Å; R236-R239 VanDerWaalsContact O-N 3.13Å; E237-R239 VanDerWaalsContact C-N 3.32Å; E237-R239 PolarHBondContact O-N 3.46Å; R239-A243 WeakPolarHBondContact O-CB 3.5Å; R239-A243 PolarHBondContact O-N 2.85Å |
| 240 | E | 83.9 | Confident | 74.9 | Confident | 102 Ų | 102 | 105.6 Ų | 105.6 | 48% | 0.477 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -71 | -42.5 | 175.4 | -163.4 | -167.7 | 135.9 | 0 | 0 | 111.4 | R236 E237 Q242 A243 R244 | R236-E240 PolarHBondContact O-N 3.22Å; E237-E240 PolarHBondContact O-N 2.63Å; E237-E240 VanDerWaalsContact O-N 3.16Å; E240-Q242 VanDerWaalsContact C-N 3.34Å; E240-A243 PolarHBondContact O-N 2.78Å; E240-R244 WeakPolarHBondContact O-CB 3.05Å; E240-R244 WeakPolarHBondContact O-CD 3.14Å; E240-R244 VanDerWaalsContact O-CG 3.23Å; E240-R244 WeakPolarHBondContact O-CG 3.45Å; E240-R244 PolarHBondContact O-N 2.89Å; E240-R244 IonicContact OE1-CZ 2.73Å; E240-R244 IonicContact OE1-NE 3.59Å; E240-R244 PolarHBondContact OE1-NE 2.86Å; E240-R244 IonicContact OE1-NH2 3.22Å; E240-R244 PolarHBondContact OE1-NH2 3.02Å |
| 241 | L | 75.5 | Confident | 73 | Confident | 110 Ų | 110 | 110 Ų | 110 | 58% | 0.576 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -61.2 | -42.8 | 172.5 | -71 | 170.5 | 0 | 0 | 0 | 111.1 | E237 R244 L245 | E237-L241 WeakPolarHBondContact O-CB 3.47Å; E237-L241 VanDerWaalsContact O-CG 3.28Å; E237-L241 WeakPolarHBondContact O-CG 3.43Å; E237-L241 PolarHBondContact O-N 2.93Å; L241-R244 PolarHBondContact O-N 2.81Å; L241-L245 WeakPolarHBondContact O-CB 3.37Å; L241-L245 PolarHBondContact O-N 3.01Å |
| 242 | Q | 71.8 | Confident | 70.7 | Confident | 129 Ų | 129 | 109 Ų | 109 | 60% | 0.603 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -63.3 | -42.1 | 174 | -169.9 | 172.9 | 19.8 | 0 | 0 | 111.9 | C238 E240 L245 T246 | C238-Q242 VanDerWaalsContact O-CB 3.23Å; C238-Q242 WeakPolarHBondContact O-CB 3.29Å; C238-Q242 PolarHBondContact O-N 3.11Å; E240-Q242 VanDerWaalsContact C-N 3.34Å; Q242-L245 WeakPolarHBondContact O-CB 3.37Å; Q242-L245 PolarHBondContact O-N 2.87Å; Q242-T246 PolarHBondContact O-N 2.97Å; Q242-T246 PolarHBondContact O-OG1 2.74Å |
| 243 | A | 73.4 | Confident | 68.8 | Low | 54 Ų | 54 | 113 Ų | 113 | 45% | 0.446 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -63.9 | -43.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | R239 E240 L245 T246 L247 | R239-A243 WeakPolarHBondContact O-CB 3.5Å; R239-A243 PolarHBondContact O-N 2.85Å; E240-A243 PolarHBondContact O-N 2.78Å; A243-L245 VanDerWaalsContact C-N 3.33Å; A243-L245 PolarHBondContact O-N 3.23Å; A243-T246 WeakPolarHBondContact CA-OG1 3.28Å; A243-T246 PolarHBondContact O-N 3.08Å; A243-T246 PolarHBondContact O-OG1 3.47Å; A243-L247 PolarHBondContact O-N 3.04Å |
| 244 | R | 74.4 | Confident | 67 | Low | 151 Ų | 151 | 121.2 Ų | 121.2 | 57% | 0.57 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -59.2 | -43.2 | 172.3 | -72 | 163 | 176.3 | -107.5 | 7.2 | 110.9 | E240 L241 L247 V248 | E240-R244 WeakPolarHBondContact O-CB 3.05Å; E240-R244 WeakPolarHBondContact O-CD 3.14Å; E240-R244 VanDerWaalsContact O-CG 3.23Å; E240-R244 WeakPolarHBondContact O-CG 3.45Å; E240-R244 PolarHBondContact O-N 2.89Å; E240-R244 IonicContact OE1-CZ 2.73Å; E240-R244 IonicContact OE1-NE 3.59Å; E240-R244 PolarHBondContact OE1-NE 2.86Å; E240-R244 IonicContact OE1-NH2 3.22Å; E240-R244 PolarHBondContact OE1-NH2 3.02Å; L241-R244 PolarHBondContact O-N 2.81Å; R244-L247 WeakPolarHBondContact O-CB 3.4Å; R244-L247 PolarHBondContact O-N 3.24Å; R244-L247 VanDerWaalsContact O-N 3.13Å; R244-V248 WeakPolarHBondContact O-CG2 3.23Å; R244-V248 PolarHBondContact O-N 3.17Å |
| 245 | L | 61.6 | Low | 65.1 | Low | 112 Ų | 112 | 126 Ų | 126 | 59% | 0.586 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -63.4 | -40.6 | 176.8 | -149.9 | 77.6 | 0 | 0 | 0 | 112 | L241 Q242 A243 L247 V248 | L241-L245 WeakPolarHBondContact O-CB 3.37Å; L241-L245 PolarHBondContact O-N 3.01Å; Q242-L245 WeakPolarHBondContact O-CB 3.37Å; Q242-L245 PolarHBondContact O-N 2.87Å; A243-L245 VanDerWaalsContact C-N 3.33Å; A243-L245 PolarHBondContact O-N 3.23Å; L245-L247 VanDerWaalsContact C-N 3.26Å; L245-L247 PolarHBondContact O-N 3.28Å; L245-V248 PolarHBondContact O-N 2.98Å |
| 246 | T | 63.6 | Low | 63.4 | Low | 111 Ų | 111 | 127.7 Ų | 127.7 | 68% | 0.681 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -69.4 | -20.9 | 174.1 | 52.4 | 0 | 0 | 0 | 0 | 113.9 | Q242 A243 | Q242-T246 PolarHBondContact O-N 2.97Å; Q242-T246 PolarHBondContact O-OG1 2.74Å; A243-T246 WeakPolarHBondContact CA-OG1 3.28Å; A243-T246 PolarHBondContact O-N 3.08Å; A243-T246 PolarHBondContact O-OG1 3.47Å |
| 247 | L | 59.1 | Low | 61.8 | Low | 158 Ų | 158 | 126 Ų | 126 | 83% | 0.827 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -83.1 | -32.1 | 175.1 | -148.4 | 76.8 | 0 | 0 | 0 | 112.1 | A243 R244 L245 G249 | A243-L247 PolarHBondContact O-N 3.04Å; R244-L247 WeakPolarHBondContact O-CB 3.4Å; R244-L247 PolarHBondContact O-N 3.24Å; R244-L247 VanDerWaalsContact O-N 3.13Å; L245-L247 VanDerWaalsContact C-N 3.26Å; L245-L247 PolarHBondContact O-N 3.28Å; L247-G249 PolarHBondContact O-N 3.13Å |
| 248 | V | 54.8 | Low | 60.4 | Low | 116 Ų | 116 | 127 Ų | 127 | 70% | 0.703 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -81.6 | 55.1 | 171.7 | -172.5 | 0 | 0 | 0 | 0 | 109.9 | R244 L245 K250 | R244-V248 WeakPolarHBondContact O-CG2 3.23Å; R244-V248 PolarHBondContact O-N 3.17Å; L245-V248 PolarHBondContact O-N 2.98Å; V248-K250 VanDerWaalsContact C-N 3.34Å; V248-K250 PolarHBondContact O-N 2.64Å |
| 249 | G | 53.3 | Low | 59.3 | Low | 59 Ų | 59 | 133.8 Ų | 133.8 | 61% | 0.608 | 68% | 0.682 | S | S | * | * | trans | -78.9 | 72 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | L247 | L247-G249 PolarHBondContact O-N 3.13Š| ||
| 250 | K | 51.2 | Low | 58 | Low | 183 Ų | 183 | 130.4 Ų | 130.4 | 80% | 0.796 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -178 | 139.3 | 141.2 | -102.5 | 161.5 | -171.2 | -171 | 0 | 114.7 | V248 | V248-K250 VanDerWaalsContact C-N 3.34Å; V248-K250 PolarHBondContact O-N 2.64Å |
| 251 | E | 49.3 | Very low | 56.9 | Low | 196 Ų | 196 | 131.6 Ų | 131.6 | 92% | 0.916 | 68% | 0.679 | S | S | * | * | trans | 66.3 | 102.8 | 163.4 | -57.7 | -167.6 | -154.6 | 0 | 0 | 118.6 | ||||
| 252 | G | 35.2 | Very low | 56.5 | Low | 63 Ų | 63 | 129.3 Ų | 129.3 | 65% | 0.649 | 67% | 0.667 | S | S | * | * | trans | 171.8 | 129 | 172.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 253 | P | 46.8 | Very low | 56.7 | Low | 127 Ų | 127 | 130.1 Ų | 130.1 | 83% | 0.825 | 67% | 0.665 | S | S | * | * | trans | -68.9 | 157.4 | -170.5 | 26.2 | -33.7 | 0 | 0 | 0 | 113.6 | W255 | P253-W255 PolarHBondContact O-N 2.88Š| ||
| 254 | Q | 50.8 | Low | 56.8 | Low | 194 Ų | 194 | 132.7 Ų | 132.7 | 91% | 0.907 | 67% | 0.671 | S | S | * | * | trans | -51.3 | 115.9 | -167 | -70.7 | 151.8 | -16.1 | 0 | 0 | 114.3 | ||||
| 255 | W | 43.2 | Very low | 57.1 | Low | 200 Ų | 200 | 129 Ų | 129 | 76% | 0.758 | 66% | 0.662 | S | S | * | * | trans | -67.9 | 134.9 | 173.4 | -74.7 | 74.7 | 0 | 0 | 0 | 111.7 | P253 H257 | P253-W255 PolarHBondContact O-N 2.88Å; W255-H257 HydrophobicContact CB-CB 4.47Å; W255-H257 PolarHBondContact O-N 3.42Å | ||
| 256 | L | 47.2 | Very low | 57.9 | Low | 142 Ų | 142 | 130.3 Ų | 130.3 | 74% | 0.743 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | -4.1 | -179.2 | -72 | 157.8 | 0 | 0 | 0 | 115.4 | V258 R259 | L256-V258 PolarHBondContact O-N 3.33Å; L256-R259 PolarHBondContact O-N 3.07Å |
| 257 | H | 55.9 | Low | 58.5 | Low | 122 Ų | 122 | 128.6 Ų | 128.6 | 57% | 0.565 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -56.1 | -24.2 | -159.9 | -156.7 | -40.6 | 0 | 0 | 0 | 115.9 | W255 F261 | W255-H257 HydrophobicContact CB-CB 4.47Å; W255-H257 PolarHBondContact O-N 3.42Å; H257-F261 WeakPolarHBondContact O-CB 3.49Å; H257-F261 PolarHBondContact O-N 3.29Å; H257-F261 VanDerWaalsContact O-N 3.16Å |
| 258 | V | 54.6 | Low | 59.7 | Low | 120 Ų | 120 | 124 Ų | 124 | 73% | 0.727 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -70.2 | -45 | -179.3 | -176.9 | 0 | 0 | 0 | 0 | 111.5 | L256 D262 | L256-V258 PolarHBondContact O-N 3.33Å; V258-D262 WeakPolarHBondContact O-CB 3.49Å; V258-D262 PolarHBondContact O-N 3.31Å; V258-D262 VanDerWaalsContact O-N 3.17Å |
| 259 | R | 54.5 | Low | 60.8 | Low | 211 Ų | 211 | 123.5 Ų | 123.5 | 80% | 0.796 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -71.5 | -33 | -177.9 | -68.4 | -168.5 | 72.5 | 178.2 | 0.7 | 112.2 | L256 D262 R263 | L256-R259 PolarHBondContact O-N 3.07Å; R259-D262 PolarHBondContact O-N 2.75Å; R259-R263 WeakPolarHBondContact O-CB 3.23Å; R259-R263 PolarHBondContact O-N 3.04Å |
| 260 | D | 58.6 | Low | 61.9 | Low | 79 Ų | 79 | 127.9 Ų | 127.9 | 42% | 0.422 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -75.6 | -35.9 | 179.8 | -60.4 | -39.6 | 0 | 0 | 0 | 112.3 | D262 R263 L264 | D260-D262 VanDerWaalsContact C-N 3.33Å; D260-R263 WeakPolarHBondContact O-CB 3.48Å; D260-R263 PolarHBondContact O-N 2.82Å; D260-L264 PolarHBondContact O-N 3.31Å |
| 261 | F | 60.1 | Low | 63.4 | Low | 126 Ų | 126 | 122.9 Ų | 122.9 | 55% | 0.553 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -63.9 | -41.5 | 170.8 | -168 | -92 | 0 | 0 | 0 | 111.4 | H257 L264 L265 | H257-F261 WeakPolarHBondContact O-CB 3.49Å; H257-F261 PolarHBondContact O-N 3.29Å; H257-F261 VanDerWaalsContact O-N 3.16Å; F261-L264 PolarHBondContact O-N 2.64Å; F261-L265 WeakPolarHBondContact O-CB 3.45Å; F261-L265 PolarHBondContact O-N 3.07Å |
| 262 | D | 66.5 | Low | 65.3 | Low | 62 Ų | 62 | 117.2 Ų | 117.2 | 33% | 0.332 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -65 | -37.8 | 175.9 | -124.9 | 41.3 | 0 | 0 | 0 | 112.5 | V258 R259 D260 R266 | V258-D262 WeakPolarHBondContact O-CB 3.49Å; V258-D262 PolarHBondContact O-N 3.31Å; V258-D262 VanDerWaalsContact O-N 3.17Å; R259-D262 PolarHBondContact O-N 2.75Å; D260-D262 VanDerWaalsContact C-N 3.33Å; D262-R266 WeakPolarHBondContact O-CB 3.24Å; D262-R266 WeakPolarHBondContact O-CD 3.27Å; D262-R266 WeakPolarHBondContact O-CG 3.37Å; D262-R266 PolarHBondContact O-N 3.21Å; D262-R266 PolarHBondContact O-NE 3.45Å; D262-R266 IonicContact OD2-CZ 3.15Å; D262-R266 IonicContact OD2-NE 2.8Å; D262-R266 PolarHBondContact OD2-NE 3.15Å; D262-R266 IonicContact OD2-NH2 3.89Å; D262-R266 PolarHBondContact OD2-NH2 3.19Å |
| 263 | R | 76.8 | Confident | 67.6 | Low | 146 Ų | 146 | 119.5 Ų | 119.5 | 55% | 0.551 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -60.9 | -54.5 | 171.5 | 175.3 | -173.6 | -79.6 | -88.6 | 11.3 | 110.8 | R259 D260 L265 R266 E267 | R259-R263 WeakPolarHBondContact O-CB 3.23Å; R259-R263 PolarHBondContact O-N 3.04Å; D260-R263 WeakPolarHBondContact O-CB 3.48Å; D260-R263 PolarHBondContact O-N 2.82Å; R263-L265 VanDerWaalsContact C-N 3.3Å; R263-L265 PolarHBondContact O-N 2.99Å; R263-R266 CarbonylContact O-C 3.59Å; R263-R266 PolarHBondContact O-N 3.38Å; R263-R266 VanDerWaalsContact O-N 3.16Å; R263-E267 VanDerWaalsContact CG-CD 3.48Å; R263-E267 HydrophobicContact CG-CG 4.47Å; R263-E267 WeakPolarHBondContact CG-OE1 2.99Å; R263-E267 IonicContact NH1-OE1 3.21Å; R263-E267 PolarHBondContact NH1-OE1 3.21Å; R263-E267 WeakPolarHBondContact O-CB 3.15Å; R263-E267 WeakPolarHBondContact O-CG 3.48Å; R263-E267 PolarHBondContact O-N 2.92Å |
| 264 | L | 76.2 | Confident | 69.5 | Low | 109 Ų | 109 | 119.1 Ų | 119.1 | 57% | 0.571 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -59.1 | -38.1 | 178.3 | -102.9 | 64.1 | 0 | 0 | 0 | 112.6 | D260 F261 E267 S268 | D260-L264 PolarHBondContact O-N 3.31Å; F261-L264 PolarHBondContact O-N 2.64Å; L264-E267 PolarHBondContact O-N 3.18Å; L264-S268 WeakPolarHBondContact O-CB 3.45Å; L264-S268 PolarHBondContact O-N 3.3Å; L264-S268 PolarHBondContact O-OG 2.84Å; L264-S268 VanDerWaalsContact O-OG 3.08Å |
| 265 | L | 80.3 | Confident | 71.1 | Confident | 73 Ų | 73 | 113.5 Ų | 113.5 | 38% | 0.382 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.8 | -45.7 | 176.4 | -175.2 | 60.3 | 0 | 0 | 0 | 111 | F261 R263 E267 S268 Q269 | F261-L265 WeakPolarHBondContact O-CB 3.45Å; F261-L265 PolarHBondContact O-N 3.07Å; R263-L265 VanDerWaalsContact C-N 3.3Å; R263-L265 PolarHBondContact O-N 2.99Å; L265-E267 VanDerWaalsContact C-N 3.3Å; L265-E267 PolarHBondContact O-N 3.43Å; L265-S268 PolarHBondContact O-N 2.88Å; L265-S268 PolarHBondContact O-OG 3.33Å; L265-Q269 WeakPolarHBondContact O-CB 3.5Å; L265-Q269 VanDerWaalsContact O-CG 3.23Å; L265-Q269 WeakPolarHBondContact O-CG 3.5Å; L265-Q269 PolarHBondContact O-N 2.76Å |
| 266 | R | 77.8 | Confident | 72.8 | Confident | 140 Ų | 140 | 109.4 Ų | 109.4 | 53% | 0.528 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69 | -26.5 | 176.6 | -65 | 160.1 | -163.6 | -90.3 | 3.1 | 112.7 | D262 R263 R270 | D262-R266 WeakPolarHBondContact O-CB 3.24Å; D262-R266 WeakPolarHBondContact O-CD 3.27Å; D262-R266 WeakPolarHBondContact O-CG 3.37Å; D262-R266 PolarHBondContact O-N 3.21Å; D262-R266 PolarHBondContact O-NE 3.45Å; D262-R266 IonicContact OD2-CZ 3.15Å; D262-R266 IonicContact OD2-NE 2.8Å; D262-R266 PolarHBondContact OD2-NE 3.15Å; D262-R266 IonicContact OD2-NH2 3.89Å; D262-R266 PolarHBondContact OD2-NH2 3.19Å; R263-R266 CarbonylContact O-C 3.59Å; R263-R266 PolarHBondContact O-N 3.38Å; R263-R266 VanDerWaalsContact O-N 3.16Å; R266-R270 WeakPolarHBondContact O-CB 3.23Å; R266-R270 VanDerWaalsContact O-CG 3.31Å; R266-R270 WeakPolarHBondContact O-CG 3.38Å; R266-R270 PolarHBondContact O-N 3.49Å; R266-R270 PolarHBondContact O-NE 3.16Å |
| 267 | E | 77.2 | Confident | 74.4 | Confident | 74 Ų | 74 | 111.4 Ų | 111.4 | 35% | 0.346 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -78.5 | -44.6 | 175.3 | -73.4 | 166.2 | -175.2 | 0 | 0 | 111.4 | R263 L264 L265 Q269 R270 E271 | R263-E267 VanDerWaalsContact CG-CD 3.48Å; R263-E267 HydrophobicContact CG-CG 4.47Å; R263-E267 WeakPolarHBondContact CG-OE1 2.99Å; R263-E267 IonicContact NH1-OE1 3.21Å; R263-E267 PolarHBondContact NH1-OE1 3.21Å; R263-E267 WeakPolarHBondContact O-CB 3.15Å; R263-E267 WeakPolarHBondContact O-CG 3.48Å; R263-E267 PolarHBondContact O-N 2.92Å; L264-E267 PolarHBondContact O-N 3.18Å; L265-E267 VanDerWaalsContact C-N 3.3Å; L265-E267 PolarHBondContact O-N 3.43Å; E267-Q269 PolarHBondContact O-N 3.06Å; E267-R270 VanDerWaalsContact CG-NH2 3.28Å; E267-R270 PolarHBondContact O-N 3.34Å; E267-R270 IonicContact OE1-NH2 2.67Å; E267-E271 PolarHBondContact O-N 3.27Å |
| 268 | S | 83.1 | Confident | 75.3 | Confident | 61 Ų | 61 | 110.8 Ų | 110.8 | 43% | 0.427 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.8 | -38.9 | 173.5 | 63.2 | 0 | 0 | 0 | 0 | 112.8 | L264 L265 E271 V272 | L264-S268 WeakPolarHBondContact O-CB 3.45Å; L264-S268 PolarHBondContact O-N 3.3Å; L264-S268 PolarHBondContact O-OG 2.84Å; L264-S268 VanDerWaalsContact O-OG 3.08Å; L265-S268 PolarHBondContact O-N 2.88Å; L265-S268 PolarHBondContact O-OG 3.33Å; S268-E271 PolarHBondContact O-N 2.76Å; S268-V272 WeakPolarHBondContact O-CG2 3.49Å; S268-V272 PolarHBondContact O-N 3.5Å |
| 269 | Q | 77.1 | Confident | 76.5 | Confident | 106 Ų | 106 | 109.8 Ų | 109.8 | 50% | 0.495 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.4 | -41.5 | 172.6 | -74.2 | 171.1 | -1.8 | 0 | 0 | 112.4 | L265 E267 V272 L273 | L265-Q269 WeakPolarHBondContact O-CB 3.5Å; L265-Q269 VanDerWaalsContact O-CG 3.23Å; L265-Q269 WeakPolarHBondContact O-CG 3.5Å; L265-Q269 PolarHBondContact O-N 2.76Å; E267-Q269 PolarHBondContact O-N 3.06Å; Q269-V272 PolarHBondContact O-N 3.36Å; Q269-L273 WeakPolarHBondContact O-CG 3.37Å; Q269-L273 PolarHBondContact O-N 2.59Å |
| 270 | R | 77.6 | Confident | 77.4 | Confident | 151 Ų | 151 | 101.8 Ų | 101.8 | 57% | 0.57 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -65 | -39.1 | 174.9 | -79.7 | 178.6 | -76.5 | -180 | 2.1 | 111.8 | R266 E267 L273 R274 | R266-R270 WeakPolarHBondContact O-CB 3.23Å; R266-R270 VanDerWaalsContact O-CG 3.31Å; R266-R270 WeakPolarHBondContact O-CG 3.38Å; R266-R270 PolarHBondContact O-N 3.49Å; R266-R270 PolarHBondContact O-NE 3.16Å; E267-R270 VanDerWaalsContact CG-NH2 3.28Å; E267-R270 PolarHBondContact O-N 3.34Å; E267-R270 IonicContact OE1-NH2 2.67Å; R270-L273 PolarHBondContact O-N 2.85Å; R270-R274 WeakPolarHBondContact O-CB 3.32Å; R270-R274 PolarHBondContact O-N 2.86Å |
| 271 | E | 81.8 | Confident | 78.2 | Confident | 79 Ų | 79 | 102.2 Ų | 102.2 | 37% | 0.369 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -69.3 | -39.4 | 177 | -176.1 | 58.9 | -168.1 | 0 | 0 | 112.5 | E267 S268 L273 R274 L275 | E267-E271 PolarHBondContact O-N 3.27Å; S268-E271 PolarHBondContact O-N 2.76Å; E271-L273 PolarHBondContact O-N 3.35Å; E271-R274 WeakPolarHBondContact O-CB 3.24Å; E271-R274 PolarHBondContact O-N 3.16Å; E271-R274 IonicContact OE1-CZ 2.7Å; E271-R274 IonicContact OE1-NE 3.54Å; E271-R274 PolarHBondContact OE1-NE 2.78Å; E271-R274 IonicContact OE1-NH2 2.63Å; E271-R274 PolarHBondContact OE1-NH2 3.09Å; E271-R274 WeakPolarHBondContact OE2-CD 3.4Å; E271-R274 IonicContact OE2-CZ 3.64Å; E271-R274 IonicContact OE2-NE 3.69Å; E271-R274 PolarHBondContact OE2-NE 3.41Å; E271-R274 IonicContact OE2-NH2 3.57Å; E271-L275 HydrophobicContact CG-CD1 4.18Å; E271-L275 WeakPolarHBondContact O-CB 3.16Å; E271-L275 WeakPolarHBondContact O-CG 3.42Å; E271-L275 PolarHBondContact O-N 3.23Å |
| 272 | V | 89.1 | Confident | 79 | Confident | 77 Ų | 77 | 103.6 Ų | 103.6 | 47% | 0.467 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59.2 | -45.3 | 171.5 | 168 | 0 | 0 | 0 | 0 | 111 | S268 Q269 R274 L275 Q276 | S268-V272 WeakPolarHBondContact O-CG2 3.49Å; S268-V272 PolarHBondContact O-N 3.5Å; Q269-V272 PolarHBondContact O-N 3.36Å; V272-R274 VanDerWaalsContact C-N 3.35Å; V272-R274 PolarHBondContact O-N 2.54Å; V272-L275 PolarHBondContact O-N 2.99Å; V272-Q276 HydrophobicContact CG1-CG 4.41Å; V272-Q276 WeakPolarHBondContact O-CB 3.44Å; V272-Q276 WeakPolarHBondContact O-CG 3.33Å; V272-Q276 PolarHBondContact O-N 3.16Å |
| 273 | L | 84.8 | Confident | 79.1 | Confident | 110 Ų | 110 | 104.7 Ų | 104.7 | 58% | 0.576 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64.6 | -37.5 | 175.5 | -71.3 | 169.4 | 0 | 0 | 0 | 112.2 | Q269 R270 E271 R277 | Q269-L273 WeakPolarHBondContact O-CG 3.37Å; Q269-L273 PolarHBondContact O-N 2.59Å; R270-L273 PolarHBondContact O-N 2.85Å; E271-L273 PolarHBondContact O-N 3.35Å; L273-R277 VanDerWaalsContact O-CB 3.3Å; L273-R277 WeakPolarHBondContact O-CB 3.38Å; L273-R277 PolarHBondContact O-N 2.99Å |
| 274 | R | 86.9 | Confident | 78.3 | Confident | 119 Ų | 119 | 103.8 Ų | 103.8 | 45% | 0.449 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.8 | -47 | 174.9 | -162.7 | -170.3 | 69.4 | 68.2 | 4.2 | 111 | R270 E271 V272 R277 Q278 | R270-R274 WeakPolarHBondContact O-CB 3.32Å; R270-R274 PolarHBondContact O-N 2.86Å; E271-R274 WeakPolarHBondContact O-CB 3.24Å; E271-R274 PolarHBondContact O-N 3.16Å; E271-R274 IonicContact OE1-CZ 2.7Å; E271-R274 IonicContact OE1-NE 3.54Å; E271-R274 PolarHBondContact OE1-NE 2.78Å; E271-R274 IonicContact OE1-NH2 2.63Å; E271-R274 PolarHBondContact OE1-NH2 3.09Å; E271-R274 WeakPolarHBondContact OE2-CD 3.4Å; E271-R274 IonicContact OE2-CZ 3.64Å; E271-R274 IonicContact OE2-NE 3.69Å; E271-R274 PolarHBondContact OE2-NE 3.41Å; E271-R274 IonicContact OE2-NH2 3.57Å; V272-R274 VanDerWaalsContact C-N 3.35Å; V272-R274 PolarHBondContact O-N 2.54Å; R274-R277 PolarHBondContact O-N 2.81Å; R274-Q278 WeakPolarHBondContact O-CB 3.04Å; R274-Q278 PolarHBondContact O-N 2.98Å |
| 275 | L | 83.8 | Confident | 77.4 | Confident | 76 Ų | 76 | 108.8 Ų | 108.8 | 40% | 0.398 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.8 | -43.3 | 178.5 | -69.1 | 170.1 | 0 | 0 | 0 | 112.1 | E271 V272 R277 Q278 I279 | E271-L275 HydrophobicContact CG-CD1 4.18Å; E271-L275 WeakPolarHBondContact O-CB 3.16Å; E271-L275 WeakPolarHBondContact O-CG 3.42Å; E271-L275 PolarHBondContact O-N 3.23Å; V272-L275 PolarHBondContact O-N 2.99Å; L275-R277 VanDerWaalsContact C-N 3.34Å; L275-R277 PolarHBondContact O-N 2.84Å; L275-Q278 PolarHBondContact O-N 3.45Å; L275-I279 WeakPolarHBondContact O-CG1 3.41Å; L275-I279 PolarHBondContact O-N 2.96Å |
| 276 | Q | 79.7 | Confident | 75.9 | Confident | 115 Ų | 115 | 111.2 Ų | 111.2 | 54% | 0.537 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59 | -43.9 | 173.2 | -77.3 | 179.9 | -10.8 | 0 | 0 | 111.7 | V272 Q278 I279 A280 | V272-Q276 HydrophobicContact CG1-CG 4.41Å; V272-Q276 WeakPolarHBondContact O-CB 3.44Å; V272-Q276 WeakPolarHBondContact O-CG 3.33Å; V272-Q276 PolarHBondContact O-N 3.16Å; Q276-Q278 VanDerWaalsContact C-N 3.35Å; Q276-Q278 PolarHBondContact O-N 3.34Å; Q276-I279 PolarHBondContact O-N 2.8Å; Q276-A280 WeakPolarHBondContact O-CB 3.36Å; Q276-A280 PolarHBondContact O-N 2.73Å |
| 277 | R | 79.3 | Confident | 74.2 | Confident | 183 Ų | 183 | 109.5 Ų | 109.5 | 69% | 0.691 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.2 | -37.6 | 175.4 | -169.5 | 174.1 | -175.6 | 176 | 1.3 | 112 | L273 R274 L275 A280 L281 | L273-R277 VanDerWaalsContact O-CB 3.3Å; L273-R277 WeakPolarHBondContact O-CB 3.38Å; L273-R277 PolarHBondContact O-N 2.99Å; R274-R277 PolarHBondContact O-N 2.81Å; L275-R277 VanDerWaalsContact C-N 3.34Å; L275-R277 PolarHBondContact O-N 2.84Å; R277-A280 PolarHBondContact O-N 3.17Å; R277-L281 HydrophobicContact CG-CD1 4.15Å; R277-L281 WeakPolarHBondContact O-CB 3.49Å; R277-L281 VanDerWaalsContact O-CG 3.27Å; R277-L281 WeakPolarHBondContact O-CG 3.49Å; R277-L281 PolarHBondContact O-N 3.01Å |
| 278 | Q | 75.7 | Confident | 72.1 | Confident | 110 Ų | 110 | 113.1 Ų | 113.1 | 51% | 0.514 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.6 | -37.1 | 176.4 | -166.8 | 168 | -0.5 | 0 | 0 | 112.1 | R274 L275 Q276 R282 | R274-Q278 WeakPolarHBondContact O-CB 3.04Å; R274-Q278 PolarHBondContact O-N 2.98Å; L275-Q278 PolarHBondContact O-N 3.45Å; Q276-Q278 VanDerWaalsContact C-N 3.35Å; Q276-Q278 PolarHBondContact O-N 3.34Å; Q278-R282 WeakPolarHBondContact O-CB 3.19Å; Q278-R282 PolarHBondContact O-N 3.33Å |
| 279 | I | 79.1 | Confident | 70.3 | Confident | 99 Ų | 99 | 116 Ų | 116 | 51% | 0.508 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -67.9 | -45.2 | 171.6 | -67.6 | 163.5 | 0 | 0 | 0 | 110.8 | L275 Q276 L281 R282 N283 | L275-I279 WeakPolarHBondContact O-CG1 3.41Å; L275-I279 PolarHBondContact O-N 2.96Å; Q276-I279 PolarHBondContact O-N 2.8Å; I279-L281 PolarHBondContact O-N 3.28Å; I279-R282 WeakPolarHBondContact O-CB 3.4Å; I279-R282 PolarHBondContact O-N 3.37Å; I279-R282 VanDerWaalsContact O-N 3.17Å; I279-N283 VanDerWaalsContact O-CG 3.24Å; I279-N283 PolarHBondContact O-N 2.92Å; I279-N283 PolarHBondContact O-OD1 3.05Å |
| 280 | A | 75 | Confident | 68.6 | Low | 43 Ų | 43 | 118.8 Ų | 118.8 | 36% | 0.355 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -60.8 | -44.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q276 R277 R282 N283 Q284 | Q276-A280 WeakPolarHBondContact O-CB 3.36Å; Q276-A280 PolarHBondContact O-N 2.73Å; R277-A280 PolarHBondContact O-N 3.17Å; A280-R282 VanDerWaalsContact C-N 3.32Å; A280-R282 PolarHBondContact O-N 3.05Å; A280-N283 PolarHBondContact O-N 2.92Å; A280-Q284 VanDerWaalsContact O-CG 3.32Å; A280-Q284 WeakPolarHBondContact O-CG 3.44Å; A280-Q284 PolarHBondContact O-N 2.76Å |
| 281 | L | 74.1 | Confident | 66.8 | Low | 87 Ų | 87 | 116.9 Ų | 116.9 | 46% | 0.455 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -66 | -31.7 | 175.3 | -72.4 | 169.4 | 0 | 0 | 0 | 112.7 | R277 I279 R285 | R277-L281 HydrophobicContact CG-CD1 4.15Å; R277-L281 WeakPolarHBondContact O-CB 3.49Å; R277-L281 VanDerWaalsContact O-CG 3.27Å; R277-L281 WeakPolarHBondContact O-CG 3.49Å; R277-L281 PolarHBondContact O-N 3.01Å; I279-L281 PolarHBondContact O-N 3.28Å; L281-R285 WeakPolarHBondContact O-CG 3.39Å; L281-R285 PolarHBondContact O-N 3.06Å |
| 282 | R | 76.4 | Confident | 64.7 | Low | 156 Ų | 156 | 119.3 Ų | 119.3 | 59% | 0.589 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -67.2 | -49.5 | 171.2 | -179.8 | -179.7 | 169.9 | -162.6 | -14.7 | 111 | Q278 I279 A280 Q284 R285 E286 | Q278-R282 WeakPolarHBondContact O-CB 3.19Å; Q278-R282 PolarHBondContact O-N 3.33Å; I279-R282 WeakPolarHBondContact O-CB 3.4Å; I279-R282 PolarHBondContact O-N 3.37Å; I279-R282 VanDerWaalsContact O-N 3.17Å; A280-R282 VanDerWaalsContact C-N 3.32Å; A280-R282 PolarHBondContact O-N 3.05Å; R282-Q284 VanDerWaalsContact C-N 3.31Å; R282-Q284 PolarHBondContact O-N 2.93Å; R282-R285 WeakPolarHBondContact O-CA 3.36Å; R282-R285 WeakPolarHBondContact O-CB 3.48Å; R282-R285 PolarHBondContact O-N 2.61Å; R282-E286 IonicContact CZ-OE1 2.67Å; R282-E286 IonicContact NE-OE1 3.45Å; R282-E286 PolarHBondContact NE-OE1 3.17Å; R282-E286 IonicContact NH2-OE1 3.77Å; R282-E286 PolarHBondContact NH2-OE1 2.9Å; R282-E286 IonicContact NH2-OE2 3.59Å; R282-E286 PolarHBondContact O-N 3.03Å |
| 283 | N | 69.6 | Low | 62 | Low | 84 Ų | 84 | 121.2 Ų | 121.2 | 45% | 0.449 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -60 | -42.1 | -179.9 | -66.3 | -3 | 0 | 0 | 0 | 111.1 | I279 A280 R285 E286 T287 | I279-N283 VanDerWaalsContact O-CG 3.24Å; I279-N283 PolarHBondContact O-N 2.92Å; I279-N283 PolarHBondContact O-OD1 3.05Å; A280-N283 PolarHBondContact O-N 2.92Å; N283-R285 VanDerWaalsContact C-N 3.27Å; N283-R285 PolarHBondContact O-N 2.6Å; N283-E286 CarbonylContact O-C 3.55Å; N283-E286 PolarHBondContact O-N 3.4Å; N283-T287 PolarHBondContact O-N 3.2Å; N283-T287 PolarHBondContact O-OG1 2.79Å |
| 284 | Q | 59.2 | Low | 59.4 | Low | 128 Ų | 128 | 128.2 Ų | 128.2 | 60% | 0.598 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -61.6 | -30.7 | 174.4 | -73.5 | 172.9 | 5.5 | 0 | 0 | 113.6 | A280 R282 | A280-Q284 VanDerWaalsContact O-CG 3.32Å; A280-Q284 WeakPolarHBondContact O-CG 3.44Å; A280-Q284 PolarHBondContact O-N 2.76Å; R282-Q284 VanDerWaalsContact C-N 3.31Å; R282-Q284 PolarHBondContact O-N 2.93Å |
| 285 | R | 57 | Low | 57.2 | Low | 214 Ų | 214 | 127.6 Ų | 127.6 | 81% | 0.808 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -77.9 | -22.1 | 172.9 | -73.7 | 173.4 | 173.8 | -176.1 | -1.9 | 113.3 | L281 R282 N283 | L281-R285 WeakPolarHBondContact O-CG 3.39Å; L281-R285 PolarHBondContact O-N 3.06Å; R282-R285 WeakPolarHBondContact O-CA 3.36Å; R282-R285 WeakPolarHBondContact O-CB 3.48Å; R282-R285 PolarHBondContact O-N 2.61Å; N283-R285 VanDerWaalsContact C-N 3.27Å; N283-R285 PolarHBondContact O-N 2.6Å |
| 286 | E | 50.7 | Low | 55.2 | Low | 124 Ų | 124 | 130 Ų | 130 | 58% | 0.579 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -87.2 | -23.9 | 175.2 | -68.2 | -177.4 | -164.3 | 0 | 0 | 112 | R282 N283 | R282-E286 IonicContact CZ-OE1 2.67Å; R282-E286 IonicContact NE-OE1 3.45Å; R282-E286 PolarHBondContact NE-OE1 3.17Å; R282-E286 IonicContact NH2-OE1 3.77Å; R282-E286 PolarHBondContact NH2-OE1 2.9Å; R282-E286 IonicContact NH2-OE2 3.59Å; R282-E286 PolarHBondContact O-N 3.03Å; N283-E286 CarbonylContact O-C 3.55Å; N283-E286 PolarHBondContact O-N 3.4Å |
| 287 | T | 40.4 | Very low | 52.8 | Low | 103 Ų | 103 | 127.5 Ų | 127.5 | 63% | 0.632 | 67% | 0.673 | S | S | * | * | trans | -99.1 | 73 | 172.6 | 57.8 | 0 | 0 | 0 | 0 | 113.4 | N283 | N283-T287 PolarHBondContact O-N 3.2Å; N283-T287 PolarHBondContact O-OG1 2.79Å | ||
| 288 | L | 34.7 | Very low | 51.1 | Low | 151 Ų | 151 | 125.4 Ų | 125.4 | 79% | 0.791 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 124 | 160.4 | -84.2 | 165.9 | 0 | 0 | 0 | 109.9 | ||
| 289 | P | 44.1 | Very low | 49.1 | Very low | 121 Ų | 121 | 124.8 Ų | 124.8 | 79% | 0.786 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 136.4 | 175.2 | -19.1 | 32.4 | 0 | 0 | 0 | 112.2 | ||
| 290 | L | 42.3 | Very low | 46.9 | Very low | 164 Ų | 164 | 128.2 Ų | 128.2 | 86% | 0.859 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 146.8 | 161.6 | -75.1 | 163.7 | 0 | 0 | 0 | 109.5 | ||
| 291 | P | 38.9 | Very low | 44.9 | Very low | 112 Ų | 112 | 135.2 Ų | 135.2 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 144 | -177 | 28.7 | -35.2 | 0 | 0 | 0 | 111.8 | S293 | P291-S293 PolarHBondContact O-N 3.19Š|
| 292 | P | 37.2 | Very low | 42.8 | Very low | 130 Ų | 130 | 136.2 Ų | 136.2 | 84% | 0.844 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 127.4 | 177.6 | 29.4 | -33.7 | 0 | 0 | 0 | 111.5 | ||
| 293 | S | 32.6 | Very low | 40.6 | Very low | 117 Ų | 117 | 140.4 Ų | 140.4 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 162 | 163.9 | 54.7 | 0 | 0 | 0 | 0 | 111.6 | P291 | P291-S293 PolarHBondContact O-N 3.19Š|
| 294 | W | 30.3 | Very low | 38.8 | Very low | 256 Ų | 256 | 141.2 Ų | 141.2 | 97% | 0.97 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 173.9 | -170.8 | -106.5 | -23.7 | 0 | 0 | 0 | 115.1 | ||
| 295 | P | 41 | Very low | 37.5 | Very low | 106 Ų | 106 | 138.9 Ų | 138.9 | 69% | 0.688 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 164.5 | -140.9 | 33.8 | -38.8 | 0 | 0 | 0 | 116 | ||
| 296 | P | 41.6 | Very low | 36.2 | Very low | 127 Ų | 127 | 133.4 Ų | 133.4 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 141.1 | 177.1 | 30.5 | -35.8 | 0 | 0 | 0 | 113.2 | ||
| 297 | G | 30.4 | Very low | 35.8 | Very low | 63 Ų | 63 | 133.4 Ų | 133.4 | 65% | 0.649 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 168.5 | 161 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 298 | P | 43 | Very low | 35.6 | Very low | 138 Ų | 138 | 132.8 Ų | 132.8 | 90% | 0.896 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 153.8 | -170 | 27.9 | -35.3 | 0 | 0 | 0 | 114 | ||
| 299 | A | 33.7 | Very low | 36.2 | Very low | 98 Ų | 98 | 132 Ų | 132 | 81% | 0.81 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 151.7 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 300 | L | 33.7 | Very low | 35.5 | Very low | 170 Ų | 170 | 130 Ų | 130 | 89% | 0.89 | 83% | 0.828 | S | S | * | * | trans | -121.1 | 151.5 | 152.7 | -80.8 | 177.1 | 0 | 0 | 0 | 110.8 | ||||
| 301 | Q | 31.3 | Very low | 35.1 | Very low | 190 Ų | 190 | 126.9 Ų | 126.9 | 89% | 0.888 | 83% | 0.826 | S | S | * | * | trans | -85.3 | 146.2 | -162.4 | -53.9 | 153.4 | 15.9 | 0 | 0 | 112.2 | ||||
| 302 | A | 31.3 | Very low | 35.4 | Very low | 108 Ų | 108 | 128 Ų | 128 | 89% | 0.893 | 83% | 0.833 | S | S | * | * | trans | -157.9 | 151.3 | 141.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 303 | R | 29.5 | Very low | 35.1 | Very low | 244 Ų | 244 | 125.5 Ų | 125.5 | 92% | 0.921 | 83% | 0.831 | S | S | * | * | trans | -127.4 | 155.1 | -162.5 | 176.9 | -175 | 174 | -180 | -1.1 | 110.9 | ||||
| 304 | A | 31.8 | Very low | 35.2 | Very low | 102 Ų | 102 | 129.5 Ų | 129.5 | 84% | 0.843 | 84% | 0.837 | S | S | * | * | trans | 75 | 156.8 | 162.1 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 305 | G | 31.1 | Very low | 35.3 | Very low | 79 Ų | 79 | 122 Ų | 122 | 81% | 0.814 | 83% | 0.829 | S | S | * | * | trans | 124.1 | 64.1 | 151.4 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 306 | A | 30.2 | Very low | 35.1 | Very low | 98 Ų | 98 | 123.7 Ų | 123.7 | 81% | 0.81 | 84% | 0.838 | S | S | * | * | trans | -98.1 | 161.5 | 144.6 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 307 | P | 43.6 | Very low | 35.3 | Very low | 125 Ų | 125 | 123.1 Ų | 123.1 | 81% | 0.812 | 83% | 0.834 | S | S | * | * | cis | -134.9 | -172.2 | 15.5 | 40 | -20.5 | 0 | 0 | 0 | 115.6 | ||||
| 308 | A | 34.6 | Very low | 35.2 | Very low | 89 Ų | 89 | 128.3 Ų | 128.3 | 74% | 0.736 | 84% | 0.841 | S | S | * | * | trans | -73.2 | 176.3 | 158.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 309 | P | 47.1 | Very low | 35 | Very low | 135 Ų | 135 | 130.1 Ų | 130.1 | 88% | 0.877 | 84% | 0.837 | S | S | * | * | cis | -140.1 | -176.7 | 28.6 | 42.8 | -23.5 | 0 | 0 | 0 | 116.2 | ||||
| 310 | G | 29.7 | Very low | 35 | Very low | 80 Ų | 80 | 133.4 Ų | 133.4 | 83% | 0.825 | 84% | 0.842 | S | S | * | * | trans | 159.9 | 118.4 | 164 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 311 | A | 34.5 | Very low | 35.5 | Very low | 97 Ų | 97 | 129.3 Ų | 129.3 | 80% | 0.802 | 83% | 0.832 | S | S | * | * | trans | -142.9 | 167.5 | 160.1 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 312 | P | 45 | Very low | 36 | Very low | 136 Ų | 136 | 127.2 Ų | 127.2 | 88% | 0.883 | 83% | 0.827 | S | S | * | * | cis | -126.6 | -167.2 | 6.2 | 42.9 | -27.3 | 0 | 0 | 0 | 113.3 | ||||
| 313 | G | 31.2 | Very low | 36.2 | Very low | 77 Ų | 77 | 129.8 Ų | 129.8 | 79% | 0.794 | 83% | 0.826 | S | S | * | * | trans | -175.2 | 126.6 | 165.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 314 | E | 35.4 | Very low | 36.9 | Very low | 202 Ų | 202 | 124.4 Ų | 124.4 | 94% | 0.944 | 82% | 0.815 | S | S | * | * | trans | -90.9 | 139.1 | 172.8 | -68.4 | 171 | 94 | 0 | 0 | 110.8 | ||||
| 315 | A | 31.9 | Very low | 37.6 | Very low | 98 Ų | 98 | 125.7 Ų | 125.7 | 81% | 0.81 | 82% | 0.815 | S | S | * | * | trans | -161.8 | 112.3 | 160.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 316 | T | 35.5 | Very low | 38.7 | Very low | 142 Ų | 142 | 125.7 Ų | 125.7 | 87% | 0.871 | 80% | 0.799 | S | S | * | * | trans | -147.8 | 158.4 | 154.6 | 49 | 0 | 0 | 0 | 0 | 107 | ||||
| 317 | P | 46.9 | Very low | 39.6 | Very low | 114 Ų | 114 | 128.1 Ų | 128.1 | 74% | 0.74 | 80% | 0.796 | S | S | * | * | cis | -121.1 | -176.2 | 2.5 | 42.3 | -29.5 | 0 | 0 | 0 | 112.9 | ||||
| 318 | Q | 28 | Very low | 39.9 | Very low | 172 Ų | 172 | 130.5 Ų | 130.5 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | -154.8 | 138 | 139.3 | -169.6 | 67.3 | 7.2 | 0 | 0 | 107.8 | ||||
| 319 | E | 38.3 | Very low | 40.7 | Very low | 176 Ų | 176 | 127.7 Ų | 127.7 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | trans | -97 | 143 | 172.5 | -62.2 | 178.3 | 125.4 | 0 | 0 | 109.8 | ||||
| 320 | D | 34.1 | Very low | 41.2 | Very low | 168 Ų | 168 | 126.6 Ų | 126.6 | 90% | 0.898 | 76% | 0.764 | S | S | * | * | trans | -141.9 | 137.3 | 155 | -93.4 | -48.9 | 0 | 0 | 0 | 107.2 | ||||
| 321 | A | 43.5 | Very low | 42.9 | Very low | 84 Ų | 84 | 126.5 Ų | 126.5 | 69% | 0.694 | 75% | 0.749 | S | S | * | * | trans | -110.5 | -172.6 | -167.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 322 | D | 41.8 | Very low | 44.7 | Very low | 145 Ų | 145 | 127.3 Ų | 127.3 | 78% | 0.775 | 74% | 0.736 | S | S | * | * | trans | 62.1 | 89.3 | 162 | -56.3 | -25.6 | 0 | 0 | 0 | 117.8 | ||||
| 323 | N | 36.3 | Very low | 46.4 | Very low | 162 Ų | 162 | 127.1 Ų | 127.1 | 87% | 0.866 | 72% | 0.721 | S | S | * | * | -162 | 158.6 | 91.2 | -106.7 | -85.8 | 0 | 0 | 0 | 113.5 | |||||
| 324 | L | 45.3 | Very low | 48.9 | Very low | 132 Ų | 132 | 129.3 Ų | 129.3 | 69% | 0.691 | 71% | 0.711 | S | S | * | * | trans | -93.6 | 159.5 | -168.6 | -126 | 69.6 | 0 | 0 | 0 | 112.4 | V326 | L324-V326 HydrophobicContact CD1-CG2 4.27Å; L324-V326 HydrophobicContact CD2-CB 3.74Å; L324-V326 HydrophobicContact CD2-CG2 3.67Å; L324-V326 HydrophobicContact CG-CB 4.28Å; L324-V326 HydrophobicContact CG-CG2 3.9Å | ||
| 325 | P | 45.6 | Very low | 51.3 | Low | 129 Ų | 129 | 125.9 Ų | 125.9 | 84% | 0.838 | 70% | 0.695 | S | S | * | * | -133 | 131.9 | 82.7 | 35.9 | -24.4 | 0 | 0 | 0 | 115.3 | |||||
| 326 | V | 53.9 | Low | 54.1 | Low | 79 Ų | 79 | 128.4 Ų | 128.4 | 48% | 0.479 | 68% | 0.683 | S | S | . | * | trans | -85.7 | 179.1 | 157.7 | 165.4 | 0 | 0 | 0 | 0 | 108 | L324 | L324-V326 HydrophobicContact CD1-CG2 4.27Å; L324-V326 HydrophobicContact CD2-CB 3.74Å; L324-V326 HydrophobicContact CD2-CG2 3.67Å; L324-V326 HydrophobicContact CG-CB 4.28Å; L324-V326 HydrophobicContact CG-CG2 3.9Å | ||
| 327 | I | 50.4 | Low | 56.7 | Low | 149 Ų | 149 | 125.2 Ų | 125.2 | 76% | 0.764 | 66% | 0.664 | S | S | * | * | trans | 86.2 | 142.1 | -175 | -48.3 | 167.5 | 0 | 0 | 0 | 111.6 | ||||
| 328 | L | 48.2 | Very low | 58.9 | Low | 175 Ų | 175 | 125.7 Ų | 125.7 | 92% | 0.916 | 66% | 0.656 | S | S | * | * | S | Bend | trans | 70.7 | 41 | -172.8 | -49.1 | -176.2 | 0 | 0 | 0 | 116.6 | ||
| 329 | G | 52.8 | Low | 61.9 | Low | 29 Ų | 29 | 123 Ų | 123 | 30% | 0.299 | 64% | 0.643 | S | S | . | * | S | Bend | trans | -160.6 | -3.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | K333 | G329-K333 VanDerWaalsContact O-CD 3.31Å; G329-K333 WeakPolarHBondContact O-CD 3.33Å; G329-K333 WeakPolarHBondContact O-CE 3.32Å; G329-K333 WeakPolarHBondContact O-CG 3.35Å |
| 330 | E | 57 | Low | 64.6 | Low | 113 Ų | 113 | 119.6 Ų | 119.6 | 53% | 0.528 | 63% | 0.63 | S | S | . | * | S | Bend | trans | -93.3 | -45.7 | -174.8 | -59 | -167.7 | 127.4 | 0 | 0 | 115.3 | E332 K333 E334 | E330-E332 PolarHBondContact O-N 2.91Å; E330-K333 WeakPolarHBondContact O-CA 3.41Å; E330-K333 WeakPolarHBondContact O-CB 3.21Å; E330-K333 PolarHBondContact O-N 2.97Å; E330-E334 PolarHBondContact O-N 2.99Å |
| 331 | P | 65.1 | Low | 67.4 | Low | 77 Ų | 77 | 117.1 Ų | 117.1 | 50% | 0.5 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -63.4 | -28.7 | -177.5 | 23.6 | -34.1 | 0 | 0 | 0 | 113 | K333 Q335 | P331-K333 VanDerWaalsContact C-N 3.34Å; P331-Q335 WeakPolarHBondContact O-CB 3.33Å; P331-Q335 VanDerWaalsContact O-CG 3.24Å; P331-Q335 WeakPolarHBondContact O-CG 3.48Å; P331-Q335 PolarHBondContact O-N 3.22Å |
| 332 | E | 73.5 | Confident | 69.8 | Low | 114 Ų | 114 | 115.1 Ų | 115.1 | 53% | 0.533 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -65.2 | -35.1 | 170.4 | -80.2 | -160.2 | -146.2 | 0 | 0 | 113.1 | E330 R336 | E330-E332 PolarHBondContact O-N 2.91Å; E332-R336 WeakPolarHBondContact O-CB 3.26Å; E332-R336 WeakPolarHBondContact O-CD 3.27Å; E332-R336 WeakPolarHBondContact O-CG 3.19Å; E332-R336 PolarHBondContact O-N 3.25Å; E332-R336 VanDerWaalsContact O-N 3.09Å; E332-R336 PolarHBondContact O-NE 3.38Å; E332-R336 IonicContact OE2-CZ 3.73Å; E332-R336 IonicContact OE2-NE 3.42Å; E332-R336 IonicContact OE2-NH2 3.27Å; E332-R336 PolarHBondContact OE2-NH2 2.97Å |
| 333 | K | 80.8 | Confident | 72.4 | Confident | 133 Ų | 133 | 112 Ų | 112 | 58% | 0.578 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -71.2 | -44 | 177.7 | -65.1 | 169.4 | -172.4 | 167.8 | 0 | 109.9 | G329 E330 P331 R336 V337 | G329-K333 VanDerWaalsContact O-CD 3.31Å; G329-K333 WeakPolarHBondContact O-CD 3.33Å; G329-K333 WeakPolarHBondContact O-CE 3.32Å; G329-K333 WeakPolarHBondContact O-CG 3.35Å; E330-K333 WeakPolarHBondContact O-CA 3.41Å; E330-K333 WeakPolarHBondContact O-CB 3.21Å; E330-K333 PolarHBondContact O-N 2.97Å; P331-K333 VanDerWaalsContact C-N 3.34Å; K333-R336 PolarHBondContact O-N 3Å; K333-V337 WeakPolarHBondContact O-CG2 3.46Å; K333-V337 PolarHBondContact O-N 3.5Å |
| 334 | E | 83.3 | Confident | 75.3 | Confident | 122 Ų | 122 | 109 Ų | 109 | 57% | 0.57 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -60.5 | -46.2 | 176 | -64.4 | -177.6 | 143.4 | 0 | 0 | 111.8 | E330 R336 V337 Q338 | E330-E334 PolarHBondContact O-N 2.99Å; E334-R336 VanDerWaalsContact C-N 3.34Å; E334-R336 PolarHBondContact O-N 3.23Å; E334-V337 PolarHBondContact O-N 3Å; E334-Q338 WeakPolarHBondContact O-CG 3.42Å; E334-Q338 PolarHBondContact O-N 2.96Å |
| 335 | Q | 86 | Confident | 77.6 | Confident | 131 Ų | 131 | 105.3 Ų | 105.3 | 61% | 0.612 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -60.3 | -41 | 174.9 | -74 | 174.1 | 10.8 | 0 | 0 | 112.3 | P331 Q339 | P331-Q335 WeakPolarHBondContact O-CB 3.33Å; P331-Q335 VanDerWaalsContact O-CG 3.24Å; P331-Q335 WeakPolarHBondContact O-CG 3.48Å; P331-Q335 PolarHBondContact O-N 3.22Å; Q335-Q339 WeakPolarHBondContact O-CB 3.44Å; Q335-Q339 PolarHBondContact O-N 2.89Å |
| 336 | R | 90.8 | Very high | 80.1 | Confident | 150 Ų | 150 | 105.5 Ų | 105.5 | 57% | 0.566 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65.6 | -39.7 | 175.2 | -70.5 | 162.7 | -164.1 | -116.6 | 9.6 | 111.9 | E332 K333 E334 Q339 L340 | E332-R336 WeakPolarHBondContact O-CB 3.26Å; E332-R336 WeakPolarHBondContact O-CD 3.27Å; E332-R336 WeakPolarHBondContact O-CG 3.19Å; E332-R336 PolarHBondContact O-N 3.25Å; E332-R336 VanDerWaalsContact O-N 3.09Å; E332-R336 PolarHBondContact O-NE 3.38Å; E332-R336 IonicContact OE2-CZ 3.73Å; E332-R336 IonicContact OE2-NE 3.42Å; E332-R336 IonicContact OE2-NH2 3.27Å; E332-R336 PolarHBondContact OE2-NH2 2.97Å; K333-R336 PolarHBondContact O-N 3Å; E334-R336 VanDerWaalsContact C-N 3.34Å; E334-R336 PolarHBondContact O-N 3.23Å; R336-Q339 PolarHBondContact O-N 3.03Å; R336-L340 WeakPolarHBondContact O-CB 3.43Å; R336-L340 VanDerWaalsContact O-CG 3.26Å; R336-L340 WeakPolarHBondContact O-CG 3.36Å; R336-L340 PolarHBondContact O-N 3.32Å |
| 337 | V | 89.9 | Confident | 82.1 | Confident | 76 Ų | 76 | 108.2 Ų | 108.2 | 46% | 0.461 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.8 | -51.5 | 174.8 | 170.1 | 0 | 0 | 0 | 0 | 110.4 | K333 E334 Q339 L340 E341 | K333-V337 WeakPolarHBondContact O-CG2 3.46Å; K333-V337 PolarHBondContact O-N 3.5Å; E334-V337 PolarHBondContact O-N 3Å; V337-Q339 VanDerWaalsContact C-N 3.29Å; V337-Q339 PolarHBondContact O-N 2.94Å; V337-L340 CarbonylContact O-C 3.53Å; V337-L340 PolarHBondContact O-N 3.13Å; V337-L340 VanDerWaalsContact O-N 3.08Å; V337-E341 HydrophobicContact CG1-CG 4.27Å; V337-E341 WeakPolarHBondContact O-CG 3.22Å; V337-E341 PolarHBondContact O-N 3.43Å |
| 338 | Q | 91.4 | Very high | 84.2 | Confident | 124 Ų | 124 | 109.9 Ų | 109.9 | 58% | 0.579 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -59.4 | -37.7 | 177.4 | -69.4 | 175.9 | 16.9 | 0 | 0 | 112.4 | E334 S342 | E334-Q338 WeakPolarHBondContact O-CG 3.42Å; E334-Q338 PolarHBondContact O-N 2.96Å; Q338-S342 WeakPolarHBondContact O-CB 3.41Å; Q338-S342 PolarHBondContact O-N 3.37Å |
| 339 | Q | 92.6 | Very high | 86.6 | Confident | 114 Ų | 114 | 108.3 Ų | 108.3 | 53% | 0.533 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.4 | -51.7 | 172.5 | -178.3 | -178.8 | -20.6 | 0 | 0 | 110.9 | Q335 R336 V337 E341 S342 E343 | Q335-Q339 WeakPolarHBondContact O-CB 3.44Å; Q335-Q339 PolarHBondContact O-N 2.89Å; R336-Q339 PolarHBondContact O-N 3.03Å; V337-Q339 VanDerWaalsContact C-N 3.29Å; V337-Q339 PolarHBondContact O-N 2.94Å; Q339-E341 VanDerWaalsContact C-N 3.33Å; Q339-E341 PolarHBondContact O-N 3.31Å; Q339-S342 WeakPolarHBondContact O-CA 3.4Å; Q339-S342 WeakPolarHBondContact O-CB 3.37Å; Q339-S342 PolarHBondContact O-N 2.91Å; Q339-S342 VanDerWaalsContact O-N 3.11Å; Q339-S342 PolarHBondContact O-OG 2.97Å; Q339-E343 PolarHBondContact NE2-OE1 2.92Å; Q339-E343 PolarHBondContact O-N 2.9Å |
| 340 | L | 93.6 | Very high | 88.7 | Confident | 105 Ų | 105 | 113.7 Ų | 113.7 | 55% | 0.55 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.2 | -37.4 | -179.9 | -72.6 | 169.4 | 0 | 0 | 0 | 112.3 | R336 V337 E343 L344 | R336-L340 WeakPolarHBondContact O-CB 3.43Å; R336-L340 VanDerWaalsContact O-CG 3.26Å; R336-L340 WeakPolarHBondContact O-CG 3.36Å; R336-L340 PolarHBondContact O-N 3.32Å; V337-L340 CarbonylContact O-C 3.53Å; V337-L340 PolarHBondContact O-N 3.13Å; V337-L340 VanDerWaalsContact O-N 3.08Å; L340-E343 PolarHBondContact O-N 2.86Å; L340-L344 WeakPolarHBondContact O-CB 3.4Å; L340-L344 WeakPolarHBondContact O-CG 3.48Å; L340-L344 PolarHBondContact O-N 2.91Å |
| 341 | E | 93.9 | Very high | 90.5 | Very high | 116 Ų | 116 | 112.1 Ų | 112.1 | 54% | 0.542 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.4 | -42.3 | 171.8 | -72.4 | 178 | 158.4 | 0 | 0 | 111.6 | V337 Q339 E343 L344 S345 | V337-E341 HydrophobicContact CG1-CG 4.27Å; V337-E341 WeakPolarHBondContact O-CG 3.22Å; V337-E341 PolarHBondContact O-N 3.43Å; Q339-E341 VanDerWaalsContact C-N 3.33Å; Q339-E341 PolarHBondContact O-N 3.31Å; E341-E343 VanDerWaalsContact C-N 3.27Å; E341-E343 PolarHBondContact O-N 2.94Å; E341-L344 PolarHBondContact O-N 3.06Å; E341-S345 WeakPolarHBondContact O-CB 3.26Å; E341-S345 PolarHBondContact O-N 2.77Å |
| 342 | S | 94.2 | Very high | 92 | Very high | 42 Ų | 42 | 113.8 Ų | 113.8 | 29% | 0.294 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.9 | -36.8 | 173.7 | 92.9 | 0 | 0 | 0 | 0 | 111.6 | Q338 Q339 K346 | Q338-S342 WeakPolarHBondContact O-CB 3.41Å; Q338-S342 PolarHBondContact O-N 3.37Å; Q339-S342 WeakPolarHBondContact O-CA 3.4Å; Q339-S342 WeakPolarHBondContact O-CB 3.37Å; Q339-S342 PolarHBondContact O-N 2.91Å; Q339-S342 VanDerWaalsContact O-N 3.11Å; Q339-S342 PolarHBondContact O-OG 2.97Å; S342-K346 WeakPolarHBondContact O-CD 3.2Å; S342-K346 WeakPolarHBondContact O-CE 3.38Å; S342-K346 WeakPolarHBondContact O-CG 3.46Å; S342-K346 PolarHBondContact O-N 3.27Å; S342-K346 PolarHBondContact OG-NZ 3.49Å |
| 343 | E | 96.3 | Very high | 93.1 | Very high | 79 Ų | 79 | 111.8 Ų | 111.8 | 37% | 0.369 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -73.5 | -44.8 | 177.9 | -73.2 | -173.1 | -143.7 | 0 | 0 | 111.5 | Q339 L340 E341 S345 K346 K347 | Q339-E343 PolarHBondContact NE2-OE1 2.92Å; Q339-E343 PolarHBondContact O-N 2.9Å; L340-E343 PolarHBondContact O-N 2.86Å; E341-E343 VanDerWaalsContact C-N 3.27Å; E341-E343 PolarHBondContact O-N 2.94Å; E343-S345 VanDerWaalsContact C-N 3.29Å; E343-S345 PolarHBondContact O-N 2.95Å; E343-K346 PolarHBondContact O-N 3.42Å; E343-K347 WeakPolarHBondContact O-CB 3.47Å; E343-K347 WeakPolarHBondContact O-CG 3.35Å; E343-K347 PolarHBondContact O-N 3.17Å |
| 344 | L | 96.4 | Very high | 93.8 | Very high | 101 Ų | 101 | 109.1 Ų | 109.1 | 53% | 0.529 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59.9 | -39 | 172.2 | -74.2 | 170.4 | 0 | 0 | 0 | 111.7 | L340 E341 K347 R348 | L340-L344 WeakPolarHBondContact O-CB 3.4Å; L340-L344 WeakPolarHBondContact O-CG 3.48Å; L340-L344 PolarHBondContact O-N 2.91Å; E341-L344 PolarHBondContact O-N 3.06Å; L344-K347 PolarHBondContact O-N 2.86Å; L344-R348 WeakPolarHBondContact O-CB 3.27Å; L344-R348 VanDerWaalsContact O-CG 3.27Å; L344-R348 WeakPolarHBondContact O-CG 3.48Å; L344-R348 PolarHBondContact O-N 2.91Å |
| 345 | S | 93.9 | Very high | 94.4 | Very high | 54 Ų | 54 | 108 Ų | 108 | 38% | 0.378 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.1 | -48.9 | 172.5 | 177.5 | 0 | 0 | 0 | 0 | 111.8 | E341 E343 K347 R348 K349 | E341-S345 WeakPolarHBondContact O-CB 3.26Å; E341-S345 PolarHBondContact O-N 2.77Å; E343-S345 VanDerWaalsContact C-N 3.29Å; E343-S345 PolarHBondContact O-N 2.95Å; S345-K347 VanDerWaalsContact C-N 3.34Å; S345-K347 PolarHBondContact O-N 3.32Å; S345-R348 PolarHBondContact O-N 2.88Å; S345-K349 WeakPolarHBondContact O-CG 3.22Å; S345-K349 PolarHBondContact O-N 2.59Å; S345-K349 VanDerWaalsContact O-N 3.12Å |
| 346 | K | 97.2 | Very high | 95 | Very high | 132 Ų | 132 | 106.4 Ų | 106.4 | 57% | 0.574 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.1 | -40 | 174.8 | -67.3 | 154.7 | -165.3 | 156.8 | 0 | 111.8 | S342 E343 K350 | S342-K346 WeakPolarHBondContact O-CD 3.2Å; S342-K346 WeakPolarHBondContact O-CE 3.38Å; S342-K346 WeakPolarHBondContact O-CG 3.46Å; S342-K346 PolarHBondContact O-N 3.27Å; S342-K346 PolarHBondContact OG-NZ 3.49Å; E343-K346 PolarHBondContact O-N 3.42Å; K346-K350 PolarHBondContact O-N 2.89Å; K346-K350 VanDerWaalsContact O-N 3.1Å |
| 347 | K | 96.3 | Very high | 95.2 | Very high | 137 Ų | 137 | 102.2 Ų | 102.2 | 60% | 0.596 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -68.2 | -45.9 | 178.2 | -65.1 | -79.7 | -179.1 | 172.1 | 0 | 111.7 | E343 L344 S345 K349 K350 C351 | E343-K347 WeakPolarHBondContact O-CB 3.47Å; E343-K347 WeakPolarHBondContact O-CG 3.35Å; E343-K347 PolarHBondContact O-N 3.17Å; L344-K347 PolarHBondContact O-N 2.86Å; S345-K347 VanDerWaalsContact C-N 3.34Å; S345-K347 PolarHBondContact O-N 3.32Å; K347-K349 PolarHBondContact O-N 2.74Å; K347-K350 PolarHBondContact O-N 3Å; K347-K350 VanDerWaalsContact O-N 3.1Å; K347-C351 PolarHBondContact O-N 2.81Å; K347-C351 PolarHBondContact O-SG 2.79Å; K347-C351 VanDerWaalsContact O-SG 3.35Å |
| 348 | R | 95.8 | Very high | 95.6 | Very high | 184 Ų | 184 | 101.2 Ų | 101.2 | 69% | 0.694 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -55.7 | -49.1 | 175.7 | -75.7 | 173.6 | -173.7 | -85.6 | 4.3 | 111.3 | L344 S345 K350 C351 E352 | L344-R348 WeakPolarHBondContact O-CB 3.27Å; L344-R348 VanDerWaalsContact O-CG 3.27Å; L344-R348 WeakPolarHBondContact O-CG 3.48Å; L344-R348 PolarHBondContact O-N 2.91Å; S345-R348 PolarHBondContact O-N 2.88Å; R348-K350 VanDerWaalsContact C-N 3.32Å; R348-K350 PolarHBondContact O-N 2.96Å; R348-C351 WeakPolarHBondContact O-CB 3.49Å; R348-C351 PolarHBondContact O-N 2.98Å; R348-C351 VanDerWaalsContact O-N 3.14Å; R348-E352 PolarHBondContact O-N 3.18Å |
| 349 | K | 97.6 | Very high | 95.8 | Very high | 142 Ų | 142 | 102.1 Ų | 102.1 | 62% | 0.617 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60.9 | -36.7 | 175.7 | -68.8 | -179.8 | -179.8 | -174.1 | 0 | 112.9 | S345 K347 S353 | S345-K349 WeakPolarHBondContact O-CG 3.22Å; S345-K349 PolarHBondContact O-N 2.59Å; S345-K349 VanDerWaalsContact O-N 3.12Å; K347-K349 PolarHBondContact O-N 2.74Å; K349-S353 WeakPolarHBondContact O-CB 3.4Å; K349-S353 PolarHBondContact O-N 3.42Å |
| 350 | K | 97.4 | Very high | 96.1 | Very high | 141 Ų | 141 | 103.7 Ų | 103.7 | 61% | 0.613 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -67.6 | -41.8 | 173.2 | -171.1 | 174.2 | -177.7 | -179 | 0 | 112.1 | K346 K347 R348 S353 L354 | K346-K350 PolarHBondContact O-N 2.89Å; K346-K350 VanDerWaalsContact O-N 3.1Å; K347-K350 PolarHBondContact O-N 3Å; K347-K350 VanDerWaalsContact O-N 3.1Å; R348-K350 VanDerWaalsContact C-N 3.32Å; R348-K350 PolarHBondContact O-N 2.96Å; K350-S353 PolarHBondContact O-N 2.92Å; K350-L354 HydrophobicContact CG-CD1 4.13Å; K350-L354 HydrophobicContact CG-CG 4.47Å; K350-L354 WeakPolarHBondContact O-CG 3.33Å; K350-L354 PolarHBondContact O-N 2.81Å |
| 351 | C | 93.6 | Very high | 96.2 | Very high | 81 Ų | 81 | 102.5 Ų | 102.5 | 55% | 0.547 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.9 | -45.2 | 176.2 | -67.7 | 0 | 0 | 0 | 0 | 111.6 | K347 R348 S353 L354 E355 | K347-C351 PolarHBondContact O-N 2.81Å; K347-C351 PolarHBondContact O-SG 2.79Å; K347-C351 VanDerWaalsContact O-SG 3.35Å; R348-C351 WeakPolarHBondContact O-CB 3.49Å; R348-C351 PolarHBondContact O-N 2.98Å; R348-C351 VanDerWaalsContact O-N 3.14Å; C351-S353 PolarHBondContact O-N 3.03Å; C351-L354 PolarHBondContact O-N 3.21Å; C351-E355 WeakPolarHBondContact O-CB 3.23Å; C351-E355 PolarHBondContact O-N 3.31Å |
| 352 | E | 97.5 | Very high | 96.4 | Very high | 111 Ų | 111 | 102.3 Ų | 102.3 | 52% | 0.519 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.6 | -44 | 175.7 | -175.6 | 179.8 | -171.4 | 0 | 0 | 112 | R348 L354 E355 Q356 | R348-E352 PolarHBondContact O-N 3.18Å; E352-L354 PolarHBondContact O-N 2.98Å; E352-E355 PolarHBondContact O-N 3.21Å; E352-Q356 WeakPolarHBondContact O-CG 3.43Å; E352-Q356 PolarHBondContact O-N 3.05Å |
| 353 | S | 96.5 | Very high | 96.5 | Very high | 73 Ų | 73 | 109 Ų | 109 | 51% | 0.51 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.1 | -40.5 | 174.7 | -173.9 | 0 | 0 | 0 | 0 | 112.8 | K349 K350 C351 E357 | K349-S353 WeakPolarHBondContact O-CB 3.4Å; K349-S353 PolarHBondContact O-N 3.42Å; K350-S353 PolarHBondContact O-N 2.92Å; C351-S353 PolarHBondContact O-N 3.03Å; S353-E357 PolarHBondContact O-N 3.46Å |
| 354 | L | 96 | Very high | 96.6 | Very high | 76 Ų | 76 | 112.3 Ų | 112.3 | 40% | 0.398 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -70.6 | -33.7 | 177.1 | -72.5 | 170.1 | 0 | 0 | 0 | 111.8 | K350 C351 E352 E357 A358 | K350-L354 HydrophobicContact CG-CD1 4.13Å; K350-L354 HydrophobicContact CG-CG 4.47Å; K350-L354 WeakPolarHBondContact O-CG 3.33Å; K350-L354 PolarHBondContact O-N 2.81Å; C351-L354 PolarHBondContact O-N 3.21Å; E352-L354 PolarHBondContact O-N 2.98Å; L354-E357 PolarHBondContact O-N 3.17Å; L354-A358 WeakPolarHBondContact O-CB 3.49Å; L354-A358 PolarHBondContact O-N 3.29Å |
| 355 | E | 95.9 | Very high | 96.4 | Very high | 99 Ų | 99 | 110.8 Ų | 110.8 | 46% | 0.463 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68.1 | -40.8 | 174.6 | -164 | -172 | 168.1 | 0 | 0 | 111.3 | C351 E352 E357 A358 R359 | C351-E355 WeakPolarHBondContact O-CB 3.23Å; C351-E355 PolarHBondContact O-N 3.31Å; E352-E355 PolarHBondContact O-N 3.21Å; E355-E357 VanDerWaalsContact C-N 3.31Å; E355-E357 PolarHBondContact O-N 3.05Å; E355-A358 PolarHBondContact O-N 3.46Å; E355-R359 WeakPolarHBondContact O-CB 3.38Å; E355-R359 VanDerWaalsContact O-CG 3.23Å; E355-R359 WeakPolarHBondContact O-CG 3.42Å; E355-R359 PolarHBondContact O-N 2.95Å; E355-R359 IonicContact OE1-CZ 3.75Å; E355-R359 VanDerWaalsContact OE1-CZ 3.26Å; E355-R359 IonicContact OE1-NE 2.74Å; E355-R359 PolarHBondContact OE1-NE 3.16Å; E355-R359 VanDerWaalsContact OE1-NE 3.15Å; E355-R359 IonicContact OE1-NH2 3.18Å; E355-R359 PolarHBondContact OE1-NH2 3.16Å |
| 356 | Q | 97.2 | Very high | 96.6 | Very high | 98 Ų | 98 | 112.8 Ų | 112.8 | 46% | 0.458 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.9 | -36.4 | 171.6 | -69.6 | -178.3 | 26.5 | 0 | 0 | 112.2 | E352 K360 | E352-Q356 WeakPolarHBondContact O-CG 3.43Å; E352-Q356 PolarHBondContact O-N 3.05Å; Q356-K360 VanDerWaalsContact O-CG 3.27Å; Q356-K360 WeakPolarHBondContact O-CG 3.15Å; Q356-K360 PolarHBondContact O-N 2.86Å; Q356-K360 VanDerWaalsContact O-N 3.12Å |
| 357 | E | 96.6 | Very high | 96.6 | Very high | 62 Ų | 62 | 112 Ų | 112 | 29% | 0.29 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.6 | -44 | 173.8 | -165.3 | -171.5 | 144.8 | 0 | 0 | 111.8 | S353 L354 E355 K360 K361 | S353-E357 PolarHBondContact O-N 3.46Å; L354-E357 PolarHBondContact O-N 3.17Å; E355-E357 VanDerWaalsContact C-N 3.31Å; E355-E357 PolarHBondContact O-N 3.05Å; E357-K360 WeakPolarHBondContact O-CB 3.44Å; E357-K360 PolarHBondContact O-N 2.77Å; E357-K361 WeakPolarHBondContact O-CG 3.43Å; E357-K361 PolarHBondContact O-N 2.85Å; E357-K361 WeakPolarHBondContact OE1-CE 3.36Å; E357-K361 IonicContact OE1-NZ 2.75Å; E357-K361 PolarHBondContact OE1-NZ 3.35Å |
| 358 | A | 96.8 | Very high | 96.6 | Very high | 54 Ų | 54 | 109.8 Ų | 109.8 | 45% | 0.446 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.2 | -46.2 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | L354 E355 K360 K361 Q362 | L354-A358 WeakPolarHBondContact O-CB 3.49Å; L354-A358 PolarHBondContact O-N 3.29Å; E355-A358 PolarHBondContact O-N 3.46Å; A358-K360 VanDerWaalsContact C-N 3.28Å; A358-K360 PolarHBondContact O-N 3.03Å; A358-K361 PolarHBondContact O-N 2.84Å; A358-Q362 WeakPolarHBondContact O-CB 3.33Å; A358-Q362 PolarHBondContact O-N 2.93Å |
| 359 | R | 97.6 | Very high | 96.7 | Very high | 144 Ų | 144 | 105.4 Ų | 105.4 | 54% | 0.543 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.4 | -32.8 | 175.1 | -69.9 | 169.4 | -178.7 | -154.1 | 4.8 | 112.6 | E355 R363 | E355-R359 WeakPolarHBondContact O-CB 3.38Å; E355-R359 VanDerWaalsContact O-CG 3.23Å; E355-R359 WeakPolarHBondContact O-CG 3.42Å; E355-R359 PolarHBondContact O-N 2.95Å; E355-R359 IonicContact OE1-CZ 3.75Å; E355-R359 VanDerWaalsContact OE1-CZ 3.26Å; E355-R359 IonicContact OE1-NE 2.74Å; E355-R359 PolarHBondContact OE1-NE 3.16Å; E355-R359 VanDerWaalsContact OE1-NE 3.15Å; E355-R359 IonicContact OE1-NH2 3.18Å; E355-R359 PolarHBondContact OE1-NH2 3.16Å; R359-R363 WeakPolarHBondContact O-CG 3.23Å; R359-R363 PolarHBondContact O-N 2.97Å |
| 360 | K | 97.8 | Very high | 96.7 | Very high | 147 Ų | 147 | 104.1 Ų | 104.1 | 64% | 0.639 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -71 | -44.5 | 172.8 | -75 | 169 | -177.1 | 176.5 | 0 | 112 | Q356 E357 A358 R363 R364 | Q356-K360 VanDerWaalsContact O-CG 3.27Å; Q356-K360 WeakPolarHBondContact O-CG 3.15Å; Q356-K360 PolarHBondContact O-N 2.86Å; Q356-K360 VanDerWaalsContact O-N 3.12Å; E357-K360 WeakPolarHBondContact O-CB 3.44Å; E357-K360 PolarHBondContact O-N 2.77Å; A358-K360 VanDerWaalsContact C-N 3.28Å; A358-K360 PolarHBondContact O-N 3.03Å; K360-R363 PolarHBondContact O-N 3.41Å; K360-R364 PolarHBondContact O-N 3.14Å |
| 361 | K | 96.1 | Very high | 96.7 | Very high | 80 Ų | 80 | 102.4 Ų | 102.4 | 35% | 0.348 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.1 | -44.8 | 175.4 | -72.2 | 175.8 | -176.1 | 168.2 | 0 | 111.3 | E357 A358 R363 R364 C365 | E357-K361 WeakPolarHBondContact O-CG 3.43Å; E357-K361 PolarHBondContact O-N 2.85Å; E357-K361 WeakPolarHBondContact OE1-CE 3.36Å; E357-K361 IonicContact OE1-NZ 2.75Å; E357-K361 PolarHBondContact OE1-NZ 3.35Å; A358-K361 PolarHBondContact O-N 2.84Å; K361-R363 PolarHBondContact O-N 2.78Å; K361-R364 WeakPolarHBondContact O-CB 3.36Å; K361-R364 PolarHBondContact O-N 2.8Å; K361-R364 VanDerWaalsContact O-N 3.13Å; K361-C365 PolarHBondContact O-N 3.39Å; K361-C365 PolarHBondContact O-SG 2.6Å |
| 362 | Q | 97.1 | Very high | 96.8 | Very high | 112 Ų | 112 | 103.4 Ų | 103.4 | 52% | 0.523 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -55.2 | -50.4 | 176.5 | -178.9 | -178 | -20.3 | 0 | 0 | 111.9 | A358 R364 C365 E366 | A358-Q362 WeakPolarHBondContact O-CB 3.33Å; A358-Q362 PolarHBondContact O-N 2.93Å; Q362-R364 VanDerWaalsContact C-N 3.28Å; Q362-R364 PolarHBondContact O-N 2.91Å; Q362-C365 WeakPolarHBondContact O-CA 3.43Å; Q362-C365 WeakPolarHBondContact O-CB 3.45Å; Q362-C365 PolarHBondContact O-N 3.34Å; Q362-E366 HydrophobicContact CG-CG 4.46Å; Q362-E366 WeakPolarHBondContact CG-OE1 3.36Å; Q362-E366 PolarHBondContact NE2-OE1 3.22Å; Q362-E366 WeakPolarHBondContact O-CG 3.42Å; Q362-E366 PolarHBondContact O-N 3.03Å |
| 363 | R | 98.1 | Very high | 96.8 | Very high | 183 Ų | 183 | 104.3 Ų | 104.3 | 69% | 0.691 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -59.6 | -37.4 | 177.3 | -71.9 | 177.5 | -176.9 | -167.3 | -0.7 | 113 | R359 K360 K361 C365 E366 E367 | R359-R363 WeakPolarHBondContact O-CG 3.23Å; R359-R363 PolarHBondContact O-N 2.97Å; K360-R363 PolarHBondContact O-N 3.41Å; K361-R363 PolarHBondContact O-N 2.78Å; R363-C365 VanDerWaalsContact C-N 3.35Å; R363-E366 PolarHBondContact O-N 3.07Å; R363-E367 WeakPolarHBondContact O-CB 3.32Å; R363-E367 PolarHBondContact O-N 3.06Å |
| 364 | R | 97.3 | Very high | 96.9 | Very high | 147 Ų | 147 | 106.1 Ų | 106.1 | 56% | 0.555 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -66.9 | -35.7 | 174.6 | -167.6 | -180 | -177.6 | -163.6 | -0.2 | 111.7 | K360 K361 Q362 L368 | K360-R364 PolarHBondContact O-N 3.14Å; K361-R364 WeakPolarHBondContact O-CB 3.36Å; K361-R364 PolarHBondContact O-N 2.8Å; K361-R364 VanDerWaalsContact O-N 3.13Å; Q362-R364 VanDerWaalsContact C-N 3.28Å; Q362-R364 PolarHBondContact O-N 2.91Å; R364-L368 HydrophobicContact CG-CD1 4.19Å; R364-L368 WeakPolarHBondContact O-CB 3.45Å; R364-L368 WeakPolarHBondContact O-CD1 3.38Å; R364-L368 WeakPolarHBondContact O-CG 3.4Å; R364-L368 PolarHBondContact O-N 3.39Å |
| 365 | C | 92.5 | Very high | 96.8 | Very high | 70 Ų | 70 | 104.5 Ų | 104.5 | 47% | 0.473 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.1 | -45.3 | 171.7 | -61.2 | 0 | 0 | 0 | 0 | 111.5 | K361 Q362 R363 E367 L368 E369 | K361-C365 PolarHBondContact O-N 3.39Å; K361-C365 PolarHBondContact O-SG 2.6Å; Q362-C365 WeakPolarHBondContact O-CA 3.43Å; Q362-C365 WeakPolarHBondContact O-CB 3.45Å; Q362-C365 PolarHBondContact O-N 3.34Å; R363-C365 VanDerWaalsContact C-N 3.35Å; C365-E367 VanDerWaalsContact C-N 3.29Å; C365-E367 PolarHBondContact O-N 3.02Å; C365-L368 PolarHBondContact O-N 3.34Å; C365-E369 WeakPolarHBondContact O-CB 3.47Å; C365-E369 WeakPolarHBondContact O-CG 3.2Å; C365-E369 PolarHBondContact O-N 2.77Å |
| 366 | E | 97.6 | Very high | 96.8 | Very high | 96 Ų | 96 | 104.8 Ų | 104.8 | 45% | 0.449 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.8 | -38.4 | 177.1 | -69 | 164 | 176.2 | 0 | 0 | 112 | Q362 R363 L370 | Q362-E366 HydrophobicContact CG-CG 4.46Å; Q362-E366 WeakPolarHBondContact CG-OE1 3.36Å; Q362-E366 PolarHBondContact NE2-OE1 3.22Å; Q362-E366 WeakPolarHBondContact O-CG 3.42Å; Q362-E366 PolarHBondContact O-N 3.03Å; R363-E366 PolarHBondContact O-N 3.07Å; E366-L370 PolarHBondContact O-N 2.94Å; E366-L370 VanDerWaalsContact O-N 3.16Å |
| 367 | E | 97.9 | Very high | 96.8 | Very high | 116 Ų | 116 | 105.7 Ų | 105.7 | 54% | 0.542 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.8 | -44 | 174.3 | -176.8 | 171.2 | -150 | 0 | 0 | 112.6 | R363 C365 L370 Q371 | R363-E367 WeakPolarHBondContact O-CB 3.32Å; R363-E367 PolarHBondContact O-N 3.06Å; C365-E367 VanDerWaalsContact C-N 3.29Å; C365-E367 PolarHBondContact O-N 3.02Å; E367-L370 WeakPolarHBondContact O-CB 3.3Å; E367-L370 PolarHBondContact O-N 3.3Å; E367-Q371 WeakPolarHBondContact O-CG 3.44Å; E367-Q371 PolarHBondContact O-N 3.05Å |
| 368 | L | 96.6 | Very high | 96.8 | Very high | 89 Ų | 89 | 107 Ų | 107 | 47% | 0.466 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.4 | -34.8 | 175.9 | -71.9 | 168.3 | 0 | 0 | 0 | 112.4 | R364 C365 L370 Q371 L372 | R364-L368 HydrophobicContact CG-CD1 4.19Å; R364-L368 WeakPolarHBondContact O-CB 3.45Å; R364-L368 WeakPolarHBondContact O-CD1 3.38Å; R364-L368 WeakPolarHBondContact O-CG 3.4Å; R364-L368 PolarHBondContact O-N 3.39Å; C365-L368 PolarHBondContact O-N 3.34Å; L368-L370 VanDerWaalsContact C-N 3.33Å; L368-Q371 PolarHBondContact O-N 2.88Å; L368-L372 WeakPolarHBondContact O-CB 3.29Å; L368-L372 PolarHBondContact O-N 3.01Å |
| 369 | E | 96.4 | Very high | 96.7 | Very high | 93 Ų | 93 | 109.2 Ų | 109.2 | 44% | 0.435 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.6 | -39 | 170.9 | -82.2 | -174.2 | -143.6 | 0 | 0 | 112 | C365 R373 | C365-E369 WeakPolarHBondContact O-CB 3.47Å; C365-E369 WeakPolarHBondContact O-CG 3.2Å; C365-E369 PolarHBondContact O-N 2.77Å; E369-R373 VanDerWaalsContact O-CG 3.31Å; E369-R373 WeakPolarHBondContact O-CG 3.49Å; E369-R373 PolarHBondContact O-N 3.44Å; E369-R373 IonicContact OE2-CZ 3.57Å; E369-R373 IonicContact OE2-NH1 3.42Å; E369-R373 IonicContact OE2-NH2 2.67Å; E369-R373 PolarHBondContact OE2-NH2 2.99Å |
| 370 | L | 98 | Very high | 96.6 | Very high | 115 Ų | 115 | 105.2 Ų | 105.2 | 60% | 0.602 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -67.6 | -44.3 | 176.6 | -175.4 | 63.5 | 0 | 0 | 0 | 111.3 | E366 E367 L368 R373 Q374 | E366-L370 PolarHBondContact O-N 2.94Å; E366-L370 VanDerWaalsContact O-N 3.16Å; E367-L370 WeakPolarHBondContact O-CB 3.3Å; E367-L370 PolarHBondContact O-N 3.3Å; L368-L370 VanDerWaalsContact C-N 3.33Å; L370-R373 PolarHBondContact O-N 3.23Å; L370-Q374 PolarHBondContact O-N 3.16Å |
| 371 | Q | 97.4 | Very high | 96.6 | Very high | 105 Ų | 105 | 105.2 Ų | 105.2 | 49% | 0.491 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.4 | -42.7 | 174.9 | -70.4 | 175.5 | 5.1 | 0 | 0 | 111.7 | E367 L368 R373 Q374 A375 | E367-Q371 WeakPolarHBondContact O-CG 3.44Å; E367-Q371 PolarHBondContact O-N 3.05Å; L368-Q371 PolarHBondContact O-N 2.88Å; Q371-R373 PolarHBondContact O-N 3.49Å; Q371-Q374 PolarHBondContact O-N 3.3Å; Q371-A375 PolarHBondContact O-N 2.92Å |
| 372 | L | 96.9 | Very high | 96.7 | Very high | 101 Ų | 101 | 105.6 Ų | 105.6 | 53% | 0.529 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.1 | -42.5 | 175.7 | 179.9 | 60.7 | 0 | 0 | 0 | 111.9 | L368 A375 Q376 | L368-L372 WeakPolarHBondContact O-CB 3.29Å; L368-L372 PolarHBondContact O-N 3.01Å; L372-A375 PolarHBondContact O-N 3.02Å; L372-Q376 HydrophobicContact CD1-CG 4.48Å; L372-Q376 WeakPolarHBondContact O-CB 3.39Å; L372-Q376 VanDerWaalsContact O-CG 3.23Å; L372-Q376 WeakPolarHBondContact O-CG 3.23Å; L372-Q376 PolarHBondContact O-N 3.29Å |
| 373 | R | 97 | Very high | 96.7 | Very high | 130 Ų | 130 | 105.2 Ų | 105.2 | 49% | 0.491 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.6 | -37.8 | 174.8 | -73.3 | 174.2 | -169.8 | 135.8 | 17.1 | 112.2 | E369 L370 Q371 Q376 N377 | E369-R373 VanDerWaalsContact O-CG 3.31Å; E369-R373 WeakPolarHBondContact O-CG 3.49Å; E369-R373 PolarHBondContact O-N 3.44Å; E369-R373 IonicContact OE2-CZ 3.57Å; E369-R373 IonicContact OE2-NH1 3.42Å; E369-R373 IonicContact OE2-NH2 2.67Å; E369-R373 PolarHBondContact OE2-NH2 2.99Å; L370-R373 PolarHBondContact O-N 3.23Å; Q371-R373 PolarHBondContact O-N 3.49Å; R373-Q376 PolarHBondContact O-N 2.81Å; R373-N377 VanDerWaalsContact O-CG 3.24Å; R373-N377 PolarHBondContact O-N 2.76Å; R373-N377 PolarHBondContact O-ND2 3.5Å |
| 374 | Q | 97.8 | Very high | 96.7 | Very high | 111 Ų | 111 | 103.5 Ų | 103.5 | 52% | 0.519 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.7 | -49.9 | 174.1 | -179.2 | 174.8 | -17.6 | 0 | 0 | 111.1 | L370 Q371 Q376 N377 E378 | L370-Q374 PolarHBondContact O-N 3.16Å; Q371-Q374 PolarHBondContact O-N 3.3Å; Q374-Q376 VanDerWaalsContact C-N 3.28Å; Q374-Q376 PolarHBondContact O-N 3.01Å; Q374-N377 PolarHBondContact O-N 3.47Å; Q374-N377 VanDerWaalsContact O-N 3.09Å; Q374-E378 HydrophobicContact CG-CG 4.48Å; Q374-E378 VanDerWaalsContact CG-OE1 3.28Å; Q374-E378 WeakPolarHBondContact CG-OE1 3.43Å; Q374-E378 PolarHBondContact NE2-OE1 2.74Å; Q374-E378 WeakPolarHBondContact O-CG 2.95Å; Q374-E378 PolarHBondContact O-N 2.72Å |
| 375 | A | 95 | Very high | 96.7 | Very high | 42 Ų | 42 | 99.7 Ų | 99.7 | 35% | 0.347 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.6 | -35.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q371 L372 E378 N379 | Q371-A375 PolarHBondContact O-N 2.92Å; L372-A375 PolarHBondContact O-N 3.02Å; A375-E378 PolarHBondContact O-N 3.48Å; A375-N379 VanDerWaalsContact O-CB 3.29Å; A375-N379 WeakPolarHBondContact O-CB 3.25Å; A375-N379 VanDerWaalsContact O-CG 3.28Å; A375-N379 PolarHBondContact O-N 2.75Å; A375-N379 PolarHBondContact O-ND2 2.93Å; A375-N379 VanDerWaalsContact O-ND2 3.14Å |
| 376 | Q | 95.4 | Very high | 96.8 | Very high | 106 Ų | 106 | 101.6 Ų | 101.6 | 50% | 0.495 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.3 | -43.3 | 172.7 | -76.5 | 169.6 | -11.7 | 0 | 0 | 112.3 | L372 R373 Q374 A380 | L372-Q376 HydrophobicContact CD1-CG 4.48Å; L372-Q376 WeakPolarHBondContact O-CB 3.39Å; L372-Q376 VanDerWaalsContact O-CG 3.23Å; L372-Q376 WeakPolarHBondContact O-CG 3.23Å; L372-Q376 PolarHBondContact O-N 3.29Å; R373-Q376 PolarHBondContact O-N 2.81Å; Q374-Q376 VanDerWaalsContact C-N 3.28Å; Q374-Q376 PolarHBondContact O-N 3.01Å; Q376-A380 WeakPolarHBondContact O-CB 3.49Å; Q376-A380 PolarHBondContact O-N 3.17Å |
| 377 | N | 96.8 | Very high | 96.8 | Very high | 117 Ų | 117 | 101 Ų | 101 | 63% | 0.626 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -67.6 | -38.8 | 176.9 | -67.9 | -26 | 0 | 0 | 0 | 112.3 | R373 Q374 A380 R381 | R373-N377 VanDerWaalsContact O-CG 3.24Å; R373-N377 PolarHBondContact O-N 2.76Å; R373-N377 PolarHBondContact O-ND2 3.5Å; Q374-N377 PolarHBondContact O-N 3.47Å; Q374-N377 VanDerWaalsContact O-N 3.09Å; N377-A380 PolarHBondContact O-N 2.88Å; N377-R381 PolarHBondContact O-N 3Å; N377-R381 VanDerWaalsContact O-N 3.08Å |
| 378 | E | 97.8 | Very high | 96.8 | Very high | 89 Ų | 89 | 102.6 Ų | 102.6 | 42% | 0.416 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.5 | -43.5 | 176.7 | -72.6 | 172.9 | -170.5 | 0 | 0 | 111.3 | Q374 A375 A380 R381 L382 | Q374-E378 HydrophobicContact CG-CG 4.48Å; Q374-E378 VanDerWaalsContact CG-OE1 3.28Å; Q374-E378 WeakPolarHBondContact CG-OE1 3.43Å; Q374-E378 PolarHBondContact NE2-OE1 2.74Å; Q374-E378 WeakPolarHBondContact O-CG 2.95Å; Q374-E378 PolarHBondContact O-N 2.72Å; A375-E378 PolarHBondContact O-N 3.48Å; E378-A380 PolarHBondContact O-N 3.47Å; E378-R381 PolarHBondContact O-N 3Å; E378-L382 WeakPolarHBondContact O-CG 3.33Å; E378-L382 PolarHBondContact O-N 2.73Å |
| 379 | N | 92.9 | Very high | 96.9 | Very high | 100 Ų | 100 | 102.4 Ų | 102.4 | 54% | 0.535 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.4 | -41.3 | 171.8 | -78.2 | -33.6 | 0 | 0 | 0 | 112.4 | A375 R381 L382 V383 | A375-N379 VanDerWaalsContact O-CB 3.29Å; A375-N379 WeakPolarHBondContact O-CB 3.25Å; A375-N379 VanDerWaalsContact O-CG 3.28Å; A375-N379 PolarHBondContact O-N 2.75Å; A375-N379 PolarHBondContact O-ND2 2.93Å; A375-N379 VanDerWaalsContact O-ND2 3.14Å; N379-R381 VanDerWaalsContact C-N 3.34Å; N379-R381 PolarHBondContact O-N 3.11Å; N379-L382 PolarHBondContact O-N 2.85Å; N379-V383 WeakPolarHBondContact O-CG2 3.48Å; N379-V383 PolarHBondContact O-N 3.18Å |
| 380 | A | 97.3 | Very high | 96.8 | Very high | 60 Ų | 60 | 101.1 Ų | 101.1 | 50% | 0.496 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.5 | -42.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | Q376 N377 E378 V383 E384 | Q376-A380 WeakPolarHBondContact O-CB 3.49Å; Q376-A380 PolarHBondContact O-N 3.17Å; N377-A380 PolarHBondContact O-N 2.88Å; E378-A380 PolarHBondContact O-N 3.47Å; A380-V383 PolarHBondContact O-N 3.48Å; A380-E384 PolarHBondContact O-N 2.76Å; A380-E384 VanDerWaalsContact O-N 3.15Å |
| 381 | R | 97.8 | Very high | 96.8 | Very high | 148 Ų | 148 | 97 Ų | 97 | 56% | 0.558 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.9 | -40.7 | 174.9 | -161 | -163.1 | 82.1 | -147.4 | 1.8 | 112.2 | N377 E378 N379 E384 E385 | N377-R381 PolarHBondContact O-N 3Å; N377-R381 VanDerWaalsContact O-N 3.08Å; E378-R381 PolarHBondContact O-N 3Å; N379-R381 VanDerWaalsContact C-N 3.34Å; N379-R381 PolarHBondContact O-N 3.11Å; R381-E384 PolarHBondContact O-N 2.67Å; R381-E385 WeakPolarHBondContact O-CB 3.31Å; R381-E385 PolarHBondContact O-N 3.33Å |
| 382 | L | 96.8 | Very high | 96.8 | Very high | 87 Ų | 87 | 99.4 Ų | 99.4 | 46% | 0.455 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.4 | -34.7 | 177.6 | -71.1 | 171.1 | 0 | 0 | 0 | 112.2 | E378 N379 E385 N386 | E378-L382 WeakPolarHBondContact O-CG 3.33Å; E378-L382 PolarHBondContact O-N 2.73Å; N379-L382 PolarHBondContact O-N 2.85Å; L382-E385 PolarHBondContact O-N 3.36Å; L382-N386 WeakPolarHBondContact O-CB 3.47Å; L382-N386 PolarHBondContact O-N 3.5Å |
| 383 | V | 97.3 | Very high | 96.8 | Very high | 104 Ų | 104 | 96.6 Ų | 96.6 | 63% | 0.63 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -66.1 | -42.3 | 173.7 | 168.4 | 0 | 0 | 0 | 0 | 111.5 | N379 A380 N386 S387 | N379-V383 WeakPolarHBondContact O-CG2 3.48Å; N379-V383 PolarHBondContact O-N 3.18Å; A380-V383 PolarHBondContact O-N 3.48Å; V383-N386 PolarHBondContact O-N 3.41Å; V383-S387 WeakPolarHBondContact O-CB 3.49Å; V383-S387 PolarHBondContact O-N 3.42Å |
| 384 | E | 97.4 | Very high | 96.8 | Very high | 147 Ų | 147 | 94.1 Ų | 94.1 | 69% | 0.687 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64 | -43 | 174.4 | -174.5 | 176.4 | -159.7 | 0 | 0 | 111.7 | A380 R381 S387 R388 | A380-E384 PolarHBondContact O-N 2.76Å; A380-E384 VanDerWaalsContact O-N 3.15Å; R381-E384 PolarHBondContact O-N 2.67Å; E384-S387 PolarHBondContact O-N 3.44Å; E384-R388 PolarHBondContact O-N 2.86Å |
| 385 | E | 97.8 | Very high | 96.8 | Very high | 67 Ų | 67 | 94.5 Ų | 94.5 | 31% | 0.313 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.7 | -40.3 | 176.4 | 179.5 | 148.9 | -132.8 | 0 | 0 | 112.7 | R381 L382 R388 L389 | R381-E385 WeakPolarHBondContact O-CB 3.31Å; R381-E385 PolarHBondContact O-N 3.33Å; L382-E385 PolarHBondContact O-N 3.36Å; E385-R388 WeakPolarHBondContact O-CB 3.35Å; E385-R388 PolarHBondContact O-N 2.87Å; E385-R388 IonicContact OE1-CZ 3.26Å; E385-R388 IonicContact OE1-NH2 2.64Å; E385-R388 PolarHBondContact OE1-NH2 3.34Å; E385-L389 HydrophobicContact CG-CD1 4.18Å; E385-L389 VanDerWaalsContact O-CG 3.32Å; E385-L389 WeakPolarHBondContact O-CG 3.44Å; E385-L389 PolarHBondContact O-N 2.92Å |
| 386 | N | 95.3 | Very high | 96.9 | Very high | 110 Ų | 110 | 98.1 Ų | 98.1 | 59% | 0.588 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66.3 | -42.2 | 175.8 | -166.5 | -23.8 | 0 | 0 | 0 | 111 | L382 V383 R388 L389 S390 | L382-N386 WeakPolarHBondContact O-CB 3.47Å; L382-N386 PolarHBondContact O-N 3.5Å; V383-N386 PolarHBondContact O-N 3.41Å; N386-R388 VanDerWaalsContact C-N 3.32Å; N386-R388 PolarHBondContact O-N 2.86Å; N386-L389 PolarHBondContact O-N 2.72Å; N386-L389 VanDerWaalsContact O-N 3.14Å; N386-S390 WeakPolarHBondContact O-CB 3.43Å; N386-S390 PolarHBondContact O-N 3.27Å |
| 387 | S | 97.7 | Very high | 97 | Very high | 85 Ų | 85 | 98.9 Ų | 98.9 | 59% | 0.594 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -57.1 | -43.6 | 171.8 | -178.6 | 0 | 0 | 0 | 0 | 112.3 | V383 E384 S390 G391 | V383-S387 WeakPolarHBondContact O-CB 3.49Å; V383-S387 PolarHBondContact O-N 3.42Å; E384-S387 PolarHBondContact O-N 3.44Å; S387-S390 PolarHBondContact O-N 2.73Å; S387-G391 PolarHBondContact O-N 2.93Å |
| 388 | R | 97.9 | Very high | 97.1 | Very high | 149 Ų | 149 | 98.8 Ų | 98.8 | 56% | 0.562 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.4 | -38.5 | 174.9 | -176.4 | -174.9 | 67.1 | 171.9 | -0.2 | 112.9 | E384 E385 N386 R392 | E384-R388 PolarHBondContact O-N 2.86Å; E385-R388 WeakPolarHBondContact O-CB 3.35Å; E385-R388 PolarHBondContact O-N 2.87Å; E385-R388 IonicContact OE1-CZ 3.26Å; E385-R388 IonicContact OE1-NH2 2.64Å; E385-R388 PolarHBondContact OE1-NH2 3.34Å; N386-R388 VanDerWaalsContact C-N 3.32Å; N386-R388 PolarHBondContact O-N 2.86Å; R388-R392 WeakPolarHBondContact O-CG 3.39Å; R388-R392 PolarHBondContact O-N 3.35Å |
| 389 | L | 97.6 | Very high | 97.1 | Very high | 84 Ų | 84 | 98.7 Ų | 98.7 | 44% | 0.44 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -71.7 | -39 | 177.5 | -71.4 | 171.4 | 0 | 0 | 0 | 112 | E385 N386 R392 A393 | E385-L389 HydrophobicContact CG-CD1 4.18Å; E385-L389 VanDerWaalsContact O-CG 3.32Å; E385-L389 WeakPolarHBondContact O-CG 3.44Å; E385-L389 PolarHBondContact O-N 2.92Å; N386-L389 PolarHBondContact O-N 2.72Å; N386-L389 VanDerWaalsContact O-N 3.14Å; L389-R392 PolarHBondContact O-N 2.88Å; L389-A393 PolarHBondContact O-N 2.95Å |
| 390 | S | 95.4 | Very high | 97.3 | Very high | 67 Ų | 67 | 98.5 Ų | 98.5 | 47% | 0.469 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.8 | -44.2 | 172.8 | 173.6 | 0 | 0 | 0 | 0 | 111.6 | N386 S387 R392 A393 T394 | N386-S390 WeakPolarHBondContact O-CB 3.43Å; N386-S390 PolarHBondContact O-N 3.27Å; S387-S390 PolarHBondContact O-N 2.73Å; S390-R392 PolarHBondContact O-N 2.89Å; S390-A393 WeakPolarHBondContact O-CB 3.36Å; S390-A393 PolarHBondContact O-N 2.88Å; S390-A393 VanDerWaalsContact O-N 3.14Å; S390-T394 PolarHBondContact O-N 2.86Å; S390-T394 VanDerWaalsContact O-N 3.07Å |
| 391 | G | 97.6 | Very high | 97.4 | Very high | 28 Ų | 28 | 103.9 Ų | 103.9 | 29% | 0.289 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -56 | -49.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | S387 A393 T394 E395 | S387-G391 PolarHBondContact O-N 2.93Å; G391-A393 VanDerWaalsContact C-N 3.26Å; G391-A393 PolarHBondContact O-N 3.04Å; G391-T394 PolarHBondContact O-N 2.9Å; G391-T394 VanDerWaalsContact O-N 3.11Å; G391-T394 PolarHBondContact O-OG1 2.93Å; G391-E395 WeakPolarHBondContact O-CG 3.33Å; G391-E395 PolarHBondContact O-N 3.45Å |
| 392 | R | 97.6 | Very high | 97.4 | Very high | 156 Ų | 156 | 100.8 Ų | 100.8 | 59% | 0.589 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.8 | -25.5 | 176.7 | -70.8 | -177.6 | 66.4 | -135.6 | -6.5 | 114.4 | R388 L389 S390 K396 | R388-R392 WeakPolarHBondContact O-CG 3.39Å; R388-R392 PolarHBondContact O-N 3.35Å; L389-R392 PolarHBondContact O-N 2.88Å; S390-R392 PolarHBondContact O-N 2.89Å; R392-K396 WeakPolarHBondContact O-CB 3.47Å; R392-K396 PolarHBondContact O-N 2.71Å; R392-K396 VanDerWaalsContact O-N 3.16Å |
| 393 | A | 96.6 | Very high | 97.4 | Very high | 42 Ų | 42 | 100 Ų | 100 | 35% | 0.347 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.9 | -46.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | L389 S390 G391 E395 K396 E397 | L389-A393 PolarHBondContact O-N 2.95Å; S390-A393 WeakPolarHBondContact O-CB 3.36Å; S390-A393 PolarHBondContact O-N 2.88Å; S390-A393 VanDerWaalsContact O-N 3.14Å; G391-A393 VanDerWaalsContact C-N 3.26Å; G391-A393 PolarHBondContact O-N 3.04Å; A393-E395 VanDerWaalsContact C-N 3.34Å; A393-E395 PolarHBondContact O-N 3.12Å; A393-K396 WeakPolarHBondContact O-CB 3.44Å; A393-K396 PolarHBondContact O-N 3.49Å; A393-K396 VanDerWaalsContact O-N 3.09Å; A393-E397 WeakPolarHBondContact O-CG 3.3Å; A393-E397 PolarHBondContact O-N 2.91Å |
| 394 | T | 96.9 | Very high | 97.5 | Very high | 78 Ų | 78 | 97.9 Ų | 97.9 | 48% | 0.479 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.8 | -34.3 | 176.1 | 58.7 | 0 | 0 | 0 | 0 | 113.2 | S390 G391 E397 Q398 | S390-T394 PolarHBondContact O-N 2.86Å; S390-T394 VanDerWaalsContact O-N 3.07Å; G391-T394 PolarHBondContact O-N 2.9Å; G391-T394 VanDerWaalsContact O-N 3.11Å; G391-T394 PolarHBondContact O-OG1 2.93Å; T394-E397 PolarHBondContact O-N 3.09Å; T394-Q398 PolarHBondContact O-N 3.32Å |
| 395 | E | 97.5 | Very high | 97.5 | Very high | 119 Ų | 119 | 95.1 Ų | 95.1 | 56% | 0.556 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -62.2 | -41.7 | 170.8 | -70.7 | 172.4 | 167.2 | 0 | 0 | 111.6 | G391 A393 V399 | G391-E395 WeakPolarHBondContact O-CG 3.33Å; G391-E395 PolarHBondContact O-N 3.45Å; A393-E395 VanDerWaalsContact C-N 3.34Å; A393-E395 PolarHBondContact O-N 3.12Å; E395-V399 WeakPolarHBondContact O-CG2 3.32Å; E395-V399 PolarHBondContact O-N 2.67Å |
| 396 | K | 97.8 | Very high | 97.5 | Very high | 117 Ų | 117 | 97 Ų | 97 | 51% | 0.509 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.8 | -45.3 | 176.7 | 175.4 | -176.8 | 171.2 | -67.3 | 0 | 111.5 | R392 A393 Q398 V399 E400 | R392-K396 WeakPolarHBondContact O-CB 3.47Å; R392-K396 PolarHBondContact O-N 2.71Å; R392-K396 VanDerWaalsContact O-N 3.16Å; A393-K396 WeakPolarHBondContact O-CB 3.44Å; A393-K396 PolarHBondContact O-N 3.49Å; A393-K396 VanDerWaalsContact O-N 3.09Å; K396-Q398 VanDerWaalsContact C-N 3.35Å; K396-Q398 PolarHBondContact O-N 3.24Å; K396-V399 PolarHBondContact O-N 3.42Å; K396-E400 WeakPolarHBondContact CE-OE1 3.27Å; K396-E400 HydrophobicContact CG-CG 4.49Å; K396-E400 IonicContact NZ-OE1 3.17Å; K396-E400 PolarHBondContact NZ-OE1 2.9Å; K396-E400 IonicContact NZ-OE2 2.83Å; K396-E400 PolarHBondContact NZ-OE2 3.14Å; K396-E400 WeakPolarHBondContact O-CB 3.46Å; K396-E400 WeakPolarHBondContact O-CG 3.37Å; K396-E400 PolarHBondContact O-N 3.24Å |
| 397 | E | 97.6 | Very high | 97.7 | Very high | 122 Ų | 122 | 99.4 Ų | 99.4 | 57% | 0.57 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -60.7 | -42.1 | 177.1 | -72.3 | 167.3 | -171.1 | 0 | 0 | 111.8 | A393 T394 E400 W401 | A393-E397 WeakPolarHBondContact O-CG 3.3Å; A393-E397 PolarHBondContact O-N 2.91Å; T394-E397 PolarHBondContact O-N 3.09Å; E397-E400 PolarHBondContact O-N 3.07Å; E397-W401 PolarHBondContact O-N 3.41Å |
| 398 | Q | 98 | Very high | 97.7 | Very high | 116 Ų | 116 | 97.4 Ų | 97.4 | 54% | 0.542 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.9 | -49 | 173.6 | -178.6 | -178 | -22.6 | 0 | 0 | 111.4 | T394 K396 E400 W401 E402 | T394-Q398 PolarHBondContact O-N 3.32Å; K396-Q398 VanDerWaalsContact C-N 3.35Å; K396-Q398 PolarHBondContact O-N 3.24Å; Q398-E400 VanDerWaalsContact C-N 3.27Å; Q398-E400 PolarHBondContact O-N 3.47Å; Q398-W401 PolarHBondContact O-N 3.02Å; Q398-E402 WeakPolarHBondContact CG-OE1 3.4Å; Q398-E402 PolarHBondContact NE2-OE1 2.93Å; Q398-E402 WeakPolarHBondContact O-CG 3.28Å; Q398-E402 PolarHBondContact O-N 2.92Å |
| 399 | V | 98.3 | Very high | 97.7 | Very high | 87 Ų | 87 | 95.2 Ų | 95.2 | 53% | 0.527 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.8 | -32.9 | 179.2 | 170.1 | 0 | 0 | 0 | 0 | 111.8 | E395 K396 N403 | E395-V399 WeakPolarHBondContact O-CG2 3.32Å; E395-V399 PolarHBondContact O-N 2.67Å; K396-V399 PolarHBondContact O-N 3.42Å; V399-N403 VanDerWaalsContact O-CB 3.29Å; V399-N403 WeakPolarHBondContact O-CB 3.4Å; V399-N403 PolarHBondContact O-N 3.2Å |
| 400 | E | 98 | Very high | 97.7 | Very high | 96 Ų | 96 | 96.6 Ų | 96.6 | 45% | 0.449 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -70.7 | -37.6 | 175.3 | -76.6 | 171.6 | 163.9 | 0 | 0 | 112.3 | K396 E397 Q398 N403 A404 | K396-E400 WeakPolarHBondContact CE-OE1 3.27Å; K396-E400 HydrophobicContact CG-CG 4.49Å; K396-E400 IonicContact NZ-OE1 3.17Å; K396-E400 PolarHBondContact NZ-OE1 2.9Å; K396-E400 IonicContact NZ-OE2 2.83Å; K396-E400 PolarHBondContact NZ-OE2 3.14Å; K396-E400 WeakPolarHBondContact O-CB 3.46Å; K396-E400 WeakPolarHBondContact O-CG 3.37Å; K396-E400 PolarHBondContact O-N 3.24Å; E397-E400 PolarHBondContact O-N 3.07Å; Q398-E400 VanDerWaalsContact C-N 3.27Å; Q398-E400 PolarHBondContact O-N 3.47Å; E400-N403 PolarHBondContact O-N 2.91Å; E400-A404 WeakPolarHBondContact O-CB 3.34Å; E400-A404 PolarHBondContact O-N 3.49Å |
| 401 | W | 97.8 | Very high | 97.9 | Very high | 173 Ų | 173 | 99.3 Ų | 99.3 | 66% | 0.655 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.5 | -46.8 | 170.4 | -179.5 | 82.7 | 0 | 0 | 0 | 112.1 | E397 Q398 N403 A404 E405 | E397-W401 PolarHBondContact O-N 3.41Å; Q398-W401 PolarHBondContact O-N 3.02Å; W401-N403 VanDerWaalsContact C-N 3.27Å; W401-N403 PolarHBondContact O-N 3.47Å; W401-A404 PolarHBondContact O-N 2.92Å; W401-A404 VanDerWaalsContact O-N 3.14Å; W401-E405 PolarHBondContact O-N 3.01Å |
| 402 | E | 98.2 | Very high | 97.9 | Very high | 82 Ų | 82 | 99.5 Ų | 99.5 | 38% | 0.383 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.3 | -36.9 | 175.1 | -70.8 | 176.6 | -166.6 | 0 | 0 | 111.5 | Q398 L406 | Q398-E402 WeakPolarHBondContact CG-OE1 3.4Å; Q398-E402 PolarHBondContact NE2-OE1 2.93Å; Q398-E402 WeakPolarHBondContact O-CG 3.28Å; Q398-E402 PolarHBondContact O-N 2.92Å; E402-L406 WeakPolarHBondContact O-CB 3.11Å; E402-L406 VanDerWaalsContact O-CG 3.26Å; E402-L406 WeakPolarHBondContact O-CG 3.15Å; E402-L406 PolarHBondContact O-N 3.37Å |
| 403 | N | 98.1 | Very high | 97.9 | Very high | 70 Ų | 70 | 96.5 Ų | 96.5 | 37% | 0.374 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68.2 | -38.7 | 175.2 | -155 | -94.7 | 0 | 0 | 0 | 112.3 | V399 E400 W401 R407 | V399-N403 VanDerWaalsContact O-CB 3.29Å; V399-N403 WeakPolarHBondContact O-CB 3.4Å; V399-N403 PolarHBondContact O-N 3.2Å; E400-N403 PolarHBondContact O-N 2.91Å; W401-N403 VanDerWaalsContact C-N 3.27Å; W401-N403 PolarHBondContact O-N 3.47Å; N403-R407 VanDerWaalsContact O-CG 3.24Å; N403-R407 WeakPolarHBondContact O-CG 3.24Å; N403-R407 PolarHBondContact O-N 3.3Å; N403-R407 VanDerWaalsContact OD1-CZ 3.3Å; N403-R407 PolarHBondContact OD1-NE 2.88Å; N403-R407 PolarHBondContact OD1-NH2 3.19Å |
| 404 | A | 97.9 | Very high | 97.9 | Very high | 60 Ų | 60 | 96.5 Ų | 96.5 | 50% | 0.496 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.6 | -43.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | E400 W401 R407 G408 | E400-A404 WeakPolarHBondContact O-CB 3.34Å; E400-A404 PolarHBondContact O-N 3.49Å; W401-A404 PolarHBondContact O-N 2.92Å; W401-A404 VanDerWaalsContact O-N 3.14Å; A404-R407 WeakPolarHBondContact O-CB 3.24Å; A404-R407 PolarHBondContact O-N 2.91Å; A404-G408 PolarHBondContact O-N 3.46Å |
| 405 | E | 98.3 | Very high | 98 | Very high | 89 Ų | 89 | 99.6 Ų | 99.6 | 42% | 0.416 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.8 | -48.3 | 175 | 177 | 54.5 | -147.4 | 0 | 0 | 111.3 | W401 R407 G408 Q409 | W401-E405 PolarHBondContact O-N 3.01Å; E405-R407 VanDerWaalsContact C-N 3.29Å; E405-R407 PolarHBondContact O-N 3.49Å; E405-G408 WeakPolarHBondContact O-CA 3.28Å; E405-G408 PolarHBondContact O-N 3.42Å; E405-Q409 WeakPolarHBondContact O-CG 3.43Å; E405-Q409 PolarHBondContact O-N 2.83Å; E405-Q409 PolarHBondContact OE1-NE2 2.89Å |
| 406 | L | 98.4 | Very high | 98 | Very high | 107 Ų | 107 | 100.6 Ų | 100.6 | 56% | 0.56 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.9 | -33 | 176.3 | -72.5 | 170.3 | 0 | 0 | 0 | 113 | E402 L410 | E402-L406 WeakPolarHBondContact O-CB 3.11Å; E402-L406 VanDerWaalsContact O-CG 3.26Å; E402-L406 WeakPolarHBondContact O-CG 3.15Å; E402-L406 PolarHBondContact O-N 3.37Å; L406-L410 WeakPolarHBondContact O-CB 3.36Å; L406-L410 PolarHBondContact O-N 3.45Å |
| 407 | R | 98.3 | Very high | 98 | Very high | 160 Ų | 160 | 101.5 Ų | 101.5 | 60% | 0.604 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -67.1 | -40 | 171.4 | -73.4 | 170.5 | -165.3 | -137.4 | 5.6 | 112 | N403 A404 E405 L410 L411 | N403-R407 VanDerWaalsContact O-CG 3.24Å; N403-R407 WeakPolarHBondContact O-CG 3.24Å; N403-R407 PolarHBondContact O-N 3.3Å; N403-R407 VanDerWaalsContact OD1-CZ 3.3Å; N403-R407 PolarHBondContact OD1-NE 2.88Å; N403-R407 PolarHBondContact OD1-NH2 3.19Å; A404-R407 WeakPolarHBondContact O-CB 3.24Å; A404-R407 PolarHBondContact O-N 2.91Å; E405-R407 VanDerWaalsContact C-N 3.29Å; E405-R407 PolarHBondContact O-N 3.49Å; R407-L410 PolarHBondContact O-N 3.48Å; R407-L411 WeakPolarHBondContact O-CB 3.29Å; R407-L411 WeakPolarHBondContact O-CG 3.23Å; R407-L411 PolarHBondContact O-N 3.4Å |
| 408 | G | 98.1 | Very high | 98.1 | Very high | 43 Ų | 43 | 98.5 Ų | 98.5 | 44% | 0.443 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.9 | -47.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A404 E405 L411 G412 | A404-G408 PolarHBondContact O-N 3.46Å; E405-G408 WeakPolarHBondContact O-CA 3.28Å; E405-G408 PolarHBondContact O-N 3.42Å; G408-L411 PolarHBondContact O-N 3.06Å; G408-G412 PolarHBondContact O-N 2.84Å |
| 409 | Q | 97.9 | Very high | 98.1 | Very high | 103 Ų | 103 | 94.5 Ų | 94.5 | 48% | 0.481 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62 | -43.6 | 175.6 | -65.3 | 176.9 | 18.2 | 0 | 0 | 112 | E405 L411 G412 V413 | E405-Q409 WeakPolarHBondContact O-CG 3.43Å; E405-Q409 PolarHBondContact O-N 2.83Å; E405-Q409 PolarHBondContact OE1-NE2 2.89Å; Q409-L411 VanDerWaalsContact C-N 3.35Å; Q409-L411 PolarHBondContact O-N 2.88Å; Q409-G412 PolarHBondContact O-N 2.87Å; Q409-V413 WeakPolarHBondContact O-CG2 3.49Å; Q409-V413 PolarHBondContact O-N 2.69Å |
| 410 | L | 98.2 | Very high | 98 | Very high | 113 Ų | 113 | 93.1 Ų | 93.1 | 59% | 0.592 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -62.2 | -39.5 | 176.2 | 179.9 | 61.3 | 0 | 0 | 0 | 112.5 | L406 R407 T414 | L406-L410 WeakPolarHBondContact O-CB 3.36Å; L406-L410 PolarHBondContact O-N 3.45Å; R407-L410 PolarHBondContact O-N 3.48Å; L410-T414 VanDerWaalsContact O-CB 3.29Å; L410-T414 WeakPolarHBondContact O-CB 3.43Å; L410-T414 PolarHBondContact O-N 3.03Å; L410-T414 PolarHBondContact O-OG1 2.85Å |
| 411 | L | 98.3 | Very high | 98 | Very high | 125 Ų | 125 | 92.7 Ų | 92.7 | 65% | 0.654 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -62.8 | -43 | 174.2 | -79.5 | 164.6 | 0 | 0 | 0 | 111.6 | R407 G408 Q409 T414 Q415 | R407-L411 WeakPolarHBondContact O-CB 3.29Å; R407-L411 WeakPolarHBondContact O-CG 3.23Å; R407-L411 PolarHBondContact O-N 3.4Å; G408-L411 PolarHBondContact O-N 3.06Å; Q409-L411 VanDerWaalsContact C-N 3.35Å; Q409-L411 PolarHBondContact O-N 2.88Å; L411-T414 PolarHBondContact O-N 2.8Å; L411-Q415 PolarHBondContact O-N 3.17Å |
| 412 | G | 97.9 | Very high | 98 | Very high | 32 Ų | 32 | 92.1 Ų | 92.1 | 33% | 0.33 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -58.4 | -54.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | G408 Q409 T414 Q415 E416 | G408-G412 PolarHBondContact O-N 2.84Å; Q409-G412 PolarHBondContact O-N 2.87Å; G412-T414 PolarHBondContact O-N 2.81Å; G412-Q415 WeakPolarHBondContact O-CB 3.42Å; G412-Q415 PolarHBondContact O-N 2.96Å; G412-Q415 VanDerWaalsContact O-N 3.07Å; G412-E416 PolarHBondContact O-N 3.28Å |
| 413 | V | 98.2 | Very high | 98 | Very high | 92 Ų | 92 | 95.4 Ų | 95.4 | 56% | 0.558 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -60.9 | -34.2 | 177.9 | 175.3 | 0 | 0 | 0 | 0 | 111.9 | Q409 E416 R417 | Q409-V413 WeakPolarHBondContact O-CG2 3.49Å; Q409-V413 PolarHBondContact O-N 2.69Å; V413-E416 PolarHBondContact O-N 3.48Å; V413-R417 WeakPolarHBondContact O-CB 3.39Å; V413-R417 PolarHBondContact O-N 2.87Å |
| 414 | T | 97.4 | Very high | 97.9 | Very high | 42 Ų | 42 | 94.9 Ų | 94.9 | 26% | 0.258 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.3 | -43.9 | 174.2 | -58.9 | 0 | 0 | 0 | 0 | 111.4 | L410 L411 G412 E416 R417 D418 | L410-T414 VanDerWaalsContact O-CB 3.29Å; L410-T414 WeakPolarHBondContact O-CB 3.43Å; L410-T414 PolarHBondContact O-N 3.03Å; L410-T414 PolarHBondContact O-OG1 2.85Å; L411-T414 PolarHBondContact O-N 2.8Å; G412-T414 PolarHBondContact O-N 2.81Å; T414-E416 VanDerWaalsContact C-N 3.34Å; T414-E416 PolarHBondContact O-N 3.46Å; T414-R417 WeakPolarHBondContact O-CB 3.37Å; T414-R417 PolarHBondContact O-N 2.82Å; T414-D418 WeakPolarHBondContact O-CB 3.33Å; T414-D418 VanDerWaalsContact O-CG 3.28Å; T414-D418 PolarHBondContact O-N 3.41Å |
| 415 | Q | 98.3 | Very high | 97.9 | Very high | 143 Ų | 143 | 97.3 Ų | 97.3 | 67% | 0.668 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.2 | -36.5 | 176.1 | -171.1 | -178.5 | 52.6 | 0 | 0 | 112.3 | L411 G412 S419 | L411-Q415 PolarHBondContact O-N 3.17Å; G412-Q415 WeakPolarHBondContact O-CB 3.42Å; G412-Q415 PolarHBondContact O-N 2.96Å; G412-Q415 VanDerWaalsContact O-N 3.07Å; Q415-S419 VanDerWaalsContact O-CB 3.27Å; Q415-S419 WeakPolarHBondContact O-CB 3.39Å; Q415-S419 PolarHBondContact O-N 3.24Å; Q415-S419 PolarHBondContact O-OG 3.45Å |
| 416 | E | 97.8 | Very high | 97.8 | Very high | 140 Ų | 140 | 94.8 Ų | 94.8 | 65% | 0.654 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.4 | -48.9 | 173 | -72.2 | -175.4 | 169.8 | 0 | 0 | 111.6 | G412 V413 T414 D418 S419 A420 | G412-E416 PolarHBondContact O-N 3.28Å; V413-E416 PolarHBondContact O-N 3.48Å; T414-E416 VanDerWaalsContact C-N 3.34Å; T414-E416 PolarHBondContact O-N 3.46Å; E416-D418 VanDerWaalsContact C-N 3.33Å; E416-D418 PolarHBondContact O-N 2.98Å; E416-S419 CarbonylContact O-C 3.53Å; E416-S419 WeakPolarHBondContact O-CB 3.45Å; E416-S419 PolarHBondContact O-N 2.94Å; E416-S419 VanDerWaalsContact O-N 3.13Å; E416-A420 PolarHBondContact O-N 2.96Å |
| 417 | R | 97.8 | Very high | 97.8 | Very high | 136 Ų | 136 | 95.1 Ų | 95.1 | 51% | 0.513 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -52.6 | -50.3 | 173.5 | -178.6 | -158.8 | 71.8 | -163.4 | -2 | 111.2 | V413 T414 S419 A420 L421 | V413-R417 WeakPolarHBondContact O-CB 3.39Å; V413-R417 PolarHBondContact O-N 2.87Å; T414-R417 WeakPolarHBondContact O-CB 3.37Å; T414-R417 PolarHBondContact O-N 2.82Å; R417-S419 PolarHBondContact O-N 2.84Å; R417-A420 WeakPolarHBondContact O-CB 3.48Å; R417-A420 PolarHBondContact O-N 2.94Å; R417-A420 VanDerWaalsContact O-N 3.12Å; R417-L421 HydrophobicContact CG-CD1 4.08Å; R417-L421 WeakPolarHBondContact O-CG 3.26Å; R417-L421 PolarHBondContact O-N 3.24Å |
| 418 | D | 98.1 | Very high | 97.6 | Very high | 59 Ų | 59 | 92.6 Ų | 92.6 | 32% | 0.316 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -73.1 | -20.8 | -176.5 | -64.7 | -16.8 | 0 | 0 | 0 | 112.4 | T414 E416 R422 | T414-D418 WeakPolarHBondContact O-CB 3.33Å; T414-D418 VanDerWaalsContact O-CG 3.28Å; T414-D418 PolarHBondContact O-N 3.41Å; E416-D418 VanDerWaalsContact C-N 3.33Å; E416-D418 PolarHBondContact O-N 2.98Å; D418-R422 VanDerWaalsContact O-CG 3.25Å; D418-R422 WeakPolarHBondContact O-CG 3.42Å; D418-R422 PolarHBondContact O-N 3.4Å; D418-R422 PolarHBondContact O-NE 2.96Å |
| 419 | S | 98.1 | Very high | 97.6 | Very high | 33 Ų | 33 | 93.5 Ų | 93.5 | 23% | 0.231 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -78.7 | -33.6 | 169 | -58.1 | 0 | 0 | 0 | 0 | 112.5 | Q415 E416 R417 R422 K423 | Q415-S419 VanDerWaalsContact O-CB 3.27Å; Q415-S419 WeakPolarHBondContact O-CB 3.39Å; Q415-S419 PolarHBondContact O-N 3.24Å; Q415-S419 PolarHBondContact O-OG 3.45Å; E416-S419 CarbonylContact O-C 3.53Å; E416-S419 WeakPolarHBondContact O-CB 3.45Å; E416-S419 PolarHBondContact O-N 2.94Å; E416-S419 VanDerWaalsContact O-N 3.13Å; R417-S419 PolarHBondContact O-N 2.84Å; S419-R422 PolarHBondContact OG-NH2 2.84Å; S419-K423 VanDerWaalsContact O-CG 3.26Å; S419-K423 WeakPolarHBondContact O-CG 3.48Å; S419-K423 PolarHBondContact O-N 3.46Å |
| 420 | A | 97.6 | Very high | 97.5 | Very high | 57 Ų | 57 | 95 Ų | 95 | 47% | 0.471 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -70.4 | -41.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | E416 R417 K423 S424 | E416-A420 PolarHBondContact O-N 2.96Å; R417-A420 WeakPolarHBondContact O-CB 3.48Å; R417-A420 PolarHBondContact O-N 2.94Å; R417-A420 VanDerWaalsContact O-N 3.12Å; A420-K423 WeakPolarHBondContact O-CB 3.42Å; A420-K423 PolarHBondContact O-N 3.08Å; A420-S424 WeakPolarHBondContact O-CB 3.23Å; A420-S424 PolarHBondContact O-N 3.15Å |
| 421 | L | 97.8 | Very high | 97.4 | Very high | 88 Ų | 88 | 95 Ų | 95 | 46% | 0.461 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.6 | -48 | 175.7 | -72.9 | 170.4 | 0 | 0 | 0 | 111.8 | R417 K423 S424 Q425 | R417-L421 HydrophobicContact CG-CD1 4.08Å; R417-L421 WeakPolarHBondContact O-CG 3.26Å; R417-L421 PolarHBondContact O-N 3.24Å; L421-K423 VanDerWaalsContact C-N 3.31Å; L421-K423 PolarHBondContact O-N 3.37Å; L421-S424 WeakPolarHBondContact O-CB 3.36Å; L421-S424 PolarHBondContact O-N 3.46Å; L421-S424 VanDerWaalsContact O-N 3.09Å; L421-Q425 WeakPolarHBondContact O-CG 3.02Å; L421-Q425 PolarHBondContact O-N 3.38Å |
| 422 | R | 97.6 | Very high | 97.3 | Very high | 160 Ų | 160 | 93.6 Ų | 93.6 | 60% | 0.604 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -60.2 | -37.6 | 175 | -72.9 | 178.1 | -62.5 | 149.5 | -0.6 | 113 | D418 S419 G426 | D418-R422 VanDerWaalsContact O-CG 3.25Å; D418-R422 WeakPolarHBondContact O-CG 3.42Å; D418-R422 PolarHBondContact O-N 3.4Å; D418-R422 PolarHBondContact O-NE 2.96Å; S419-R422 PolarHBondContact OG-NH2 2.84Å; R422-G426 PolarHBondContact O-N 3.04Å |
| 423 | K | 97.6 | Very high | 97.1 | Very high | 152 Ų | 152 | 95.1 Ų | 95.1 | 66% | 0.661 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65.5 | -41.3 | 172.9 | -74.2 | 169.9 | -176.5 | 177.4 | 0 | 111.7 | S419 A420 L421 G426 L427 | S419-K423 VanDerWaalsContact O-CG 3.26Å; S419-K423 WeakPolarHBondContact O-CG 3.48Å; S419-K423 PolarHBondContact O-N 3.46Å; A420-K423 WeakPolarHBondContact O-CB 3.42Å; A420-K423 PolarHBondContact O-N 3.08Å; L421-K423 VanDerWaalsContact C-N 3.31Å; L421-K423 PolarHBondContact O-N 3.37Å; K423-G426 CarbonylContact O-C 3.59Å; K423-G426 PolarHBondContact O-N 3.49Å; K423-L427 WeakPolarHBondContact O-CG 3.2Å; K423-L427 PolarHBondContact O-N 3.16Å |
| 424 | S | 96.9 | Very high | 97 | Very high | 58 Ų | 58 | 96.2 Ų | 96.2 | 41% | 0.406 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.7 | -47.6 | 177.9 | -173.5 | 0 | 0 | 0 | 0 | 111.7 | A420 L421 G426 L427 Q428 | A420-S424 WeakPolarHBondContact O-CB 3.23Å; A420-S424 PolarHBondContact O-N 3.15Å; L421-S424 WeakPolarHBondContact O-CB 3.36Å; L421-S424 PolarHBondContact O-N 3.46Å; L421-S424 VanDerWaalsContact O-N 3.09Å; S424-G426 VanDerWaalsContact C-N 3.35Å; S424-G426 PolarHBondContact O-N 2.92Å; S424-L427 CarbonylContact O-C 3.53Å; S424-L427 WeakPolarHBondContact O-CA 3.27Å; S424-L427 WeakPolarHBondContact O-CB 3.1Å; S424-L427 PolarHBondContact O-N 2.87Å; S424-Q428 WeakPolarHBondContact O-CG 3.44Å; S424-Q428 PolarHBondContact O-N 3.36Å |
| 425 | Q | 97.3 | Very high | 96.7 | Very high | 112 Ų | 112 | 100 Ų | 100 | 52% | 0.523 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -57 | -46.3 | 172.9 | -70 | 168.7 | -28.5 | 0 | 0 | 111.7 | L421 L427 Q428 S429 | L421-Q425 WeakPolarHBondContact O-CG 3.02Å; L421-Q425 PolarHBondContact O-N 3.38Å; Q425-L427 PolarHBondContact O-N 3.1Å; Q425-Q428 PolarHBondContact O-N 3.32Å; Q425-Q428 VanDerWaalsContact O-N 3.12Å; Q425-S429 PolarHBondContact O-N 3.44Å; Q425-S429 PolarHBondContact O-OG 2.99Å |
| 426 | G | 96.9 | Very high | 96.4 | Very high | 36 Ų | 36 | 99 Ų | 99 | 37% | 0.371 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.6 | -9.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | R422 K423 S424 K430 | R422-G426 PolarHBondContact O-N 3.04Å; K423-G426 CarbonylContact O-C 3.59Å; K423-G426 PolarHBondContact O-N 3.49Å; S424-G426 VanDerWaalsContact C-N 3.35Å; S424-G426 PolarHBondContact O-N 2.92Å; G426-K430 VanDerWaalsContact O-CD 3.31Å; G426-K430 WeakPolarHBondContact O-CD 3.47Å; G426-K430 WeakPolarHBondContact O-CE 3.47Å; G426-K430 WeakPolarHBondContact O-CG 3.11Å |
| 427 | L | 96.9 | Very high | 96.2 | Very high | 113 Ų | 113 | 95.7 Ų | 95.7 | 59% | 0.592 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -94.9 | -37.4 | 167.7 | -70.4 | 170 | 0 | 0 | 0 | 111.4 | K423 S424 Q425 K430 L431 | K423-L427 WeakPolarHBondContact O-CG 3.2Å; K423-L427 PolarHBondContact O-N 3.16Å; S424-L427 CarbonylContact O-C 3.53Å; S424-L427 WeakPolarHBondContact O-CA 3.27Å; S424-L427 WeakPolarHBondContact O-CB 3.1Å; S424-L427 PolarHBondContact O-N 2.87Å; Q425-L427 PolarHBondContact O-N 3.1Å; L427-K430 WeakPolarHBondContact O-CB 3.2Å; L427-K430 PolarHBondContact O-N 2.96Å; L427-L431 PolarHBondContact O-N 3.08Å |
| 428 | Q | 96 | Very high | 95.7 | Very high | 107 Ų | 107 | 95 Ų | 95 | 50% | 0.5 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58 | -51.8 | 174 | -71.8 | 172.7 | -52.9 | 0 | 0 | 111 | S424 Q425 K430 L431 E432 | S424-Q428 WeakPolarHBondContact O-CG 3.44Å; S424-Q428 PolarHBondContact O-N 3.36Å; Q425-Q428 PolarHBondContact O-N 3.32Å; Q425-Q428 VanDerWaalsContact O-N 3.12Å; Q428-K430 PolarHBondContact O-N 2.85Å; Q428-K430 VanDerWaalsContact O-N 3.15Å; Q428-L431 WeakPolarHBondContact O-CA 3.35Å; Q428-L431 WeakPolarHBondContact O-CB 3.46Å; Q428-L431 PolarHBondContact O-N 3.43Å; Q428-E432 WeakPolarHBondContact O-CG 3.36Å; Q428-E432 PolarHBondContact O-N 3.37Å |
| 429 | S | 96.6 | Very high | 95.1 | Very high | 63 Ų | 63 | 100.1 Ų | 100.1 | 44% | 0.441 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.3 | -23.4 | 178.4 | -54 | 0 | 0 | 0 | 0 | 114 | Q425 E432 S433 | Q425-S429 PolarHBondContact O-N 3.44Å; Q425-S429 PolarHBondContact O-OG 2.99Å; S429-E432 WeakPolarHBondContact CA-OE2 3.47Å; S429-S433 WeakPolarHBondContact O-CB 3.42Å; S429-S433 PolarHBondContact O-N 2.84Å; S429-S433 VanDerWaalsContact O-N 3.11Å; S429-S433 PolarHBondContact O-OG 3.28Å |
| 430 | K | 96.9 | Very high | 94.4 | Very high | 134 Ų | 134 | 105.6 Ų | 105.6 | 58% | 0.583 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -75.7 | -38.9 | 170.8 | -72 | 176.8 | -176.5 | 179.6 | 0 | 111.9 | G426 L427 Q428 S433 L434 | G426-K430 VanDerWaalsContact O-CD 3.31Å; G426-K430 WeakPolarHBondContact O-CD 3.47Å; G426-K430 WeakPolarHBondContact O-CE 3.47Å; G426-K430 WeakPolarHBondContact O-CG 3.11Å; L427-K430 WeakPolarHBondContact O-CB 3.2Å; L427-K430 PolarHBondContact O-N 2.96Å; Q428-K430 PolarHBondContact O-N 2.85Å; Q428-K430 VanDerWaalsContact O-N 3.15Å; K430-S433 PolarHBondContact O-N 3.19Å; K430-L434 WeakPolarHBondContact O-CG 3.26Å; K430-L434 PolarHBondContact O-N 2.73Å |
| 431 | L | 96.2 | Very high | 93.3 | Very high | 113 Ų | 113 | 110.7 Ų | 110.7 | 59% | 0.592 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -65.1 | -46.4 | 175.3 | -172.6 | 149.7 | 0 | 0 | 0 | 110.3 | L427 Q428 S433 L434 E435 | L427-L431 PolarHBondContact O-N 3.08Å; Q428-L431 WeakPolarHBondContact O-CA 3.35Å; Q428-L431 WeakPolarHBondContact O-CB 3.46Å; Q428-L431 PolarHBondContact O-N 3.43Å; L431-S433 VanDerWaalsContact C-N 3.28Å; L431-S433 PolarHBondContact O-N 2.89Å; L431-L434 PolarHBondContact O-N 3.04Å; L431-L434 VanDerWaalsContact O-N 3.13Å; L431-E435 WeakPolarHBondContact O-CB 3.46Å; L431-E435 PolarHBondContact O-N 2.81Å |
| 432 | E | 95.3 | Very high | 91.7 | Very high | 96 Ų | 96 | 110.7 Ų | 110.7 | 45% | 0.449 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -56 | -40.9 | 172.1 | -68.5 | 161.6 | -170.3 | 0 | 0 | 112 | Q428 S429 Q436 | Q428-E432 WeakPolarHBondContact O-CG 3.36Å; Q428-E432 PolarHBondContact O-N 3.37Å; S429-E432 WeakPolarHBondContact CA-OE2 3.47Å; E432-Q436 VanDerWaalsContact O-CG 3.26Å; E432-Q436 WeakPolarHBondContact O-CG 3.38Å; E432-Q436 PolarHBondContact O-N 3.5Å; E432-Q436 PolarHBondContact O-NE2 3.09Å; E432-Q436 VanDerWaalsContact O-NE2 3.1Å |
| 433 | S | 94.6 | Very high | 89.8 | Confident | 64 Ų | 64 | 110 Ų | 110 | 45% | 0.448 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -67.2 | -39.9 | 176.3 | -60.4 | 0 | 0 | 0 | 0 | 112.4 | S429 K430 L431 V437 | S429-S433 WeakPolarHBondContact O-CB 3.42Å; S429-S433 PolarHBondContact O-N 2.84Å; S429-S433 VanDerWaalsContact O-N 3.11Å; S429-S433 PolarHBondContact O-OG 3.28Å; K430-S433 PolarHBondContact O-N 3.19Å; L431-S433 VanDerWaalsContact C-N 3.28Å; L431-S433 PolarHBondContact O-N 2.89Å; S433-V437 WeakPolarHBondContact O-CG2 3.49Å; S433-V437 PolarHBondContact O-N 3.34Å |
| 434 | L | 94.5 | Very high | 87.8 | Confident | 114 Ų | 114 | 107.3 Ų | 107.3 | 60% | 0.597 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -70.9 | -35.2 | 176.7 | -71.9 | 170.2 | 0 | 0 | 0 | 111.9 | K430 L431 V437 L438 | K430-L434 WeakPolarHBondContact O-CG 3.26Å; K430-L434 PolarHBondContact O-N 2.73Å; L431-L434 PolarHBondContact O-N 3.04Å; L431-L434 VanDerWaalsContact O-N 3.13Å; L434-V437 PolarHBondContact O-N 2.97Å; L434-L438 WeakPolarHBondContact O-CG 3.39Å; L434-L438 PolarHBondContact O-N 2.9Å |
| 435 | E | 92.9 | Very high | 85.7 | Confident | 121 Ų | 121 | 114 Ų | 114 | 57% | 0.565 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -64.7 | -42.9 | 173.3 | -172.9 | -179.1 | 172.1 | 0 | 0 | 111.4 | L431 V437 L438 K439 | L431-E435 WeakPolarHBondContact O-CB 3.46Å; L431-E435 PolarHBondContact O-N 2.81Å; E435-V437 VanDerWaalsContact C-N 3.34Å; E435-V437 PolarHBondContact O-N 2.81Å; E435-L438 PolarHBondContact O-N 3.05Å; E435-K439 VanDerWaalsContact O-CB 3.31Å; E435-K439 WeakPolarHBondContact O-CB 3.33Å; E435-K439 PolarHBondContact O-N 3.03Å |
| 436 | Q | 92.1 | Very high | 83.5 | Confident | 122 Ų | 122 | 116.8 Ų | 116.8 | 57% | 0.57 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -59.8 | -42.2 | 171.8 | -74 | 165.4 | 57.6 | 0 | 0 | 112 | E432 K439 L440 | E432-Q436 VanDerWaalsContact O-CG 3.26Å; E432-Q436 WeakPolarHBondContact O-CG 3.38Å; E432-Q436 PolarHBondContact O-N 3.5Å; E432-Q436 PolarHBondContact O-NE2 3.09Å; E432-Q436 VanDerWaalsContact O-NE2 3.1Å; Q436-K439 PolarHBondContact O-N 2.94Å; Q436-L440 WeakPolarHBondContact O-CG 3.44Å; Q436-L440 PolarHBondContact O-N 3.13Å; Q436-L440 VanDerWaalsContact O-N 3.08Å |
| 437 | V | 91.9 | Very high | 81.4 | Confident | 72 Ų | 72 | 123.9 Ų | 123.9 | 44% | 0.436 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -65.6 | -44.9 | 176.3 | 169.3 | 0 | 0 | 0 | 0 | 111.6 | S433 L434 E435 K439 L440 F441 | S433-V437 WeakPolarHBondContact O-CG2 3.49Å; S433-V437 PolarHBondContact O-N 3.34Å; L434-V437 PolarHBondContact O-N 2.97Å; E435-V437 VanDerWaalsContact C-N 3.34Å; E435-V437 PolarHBondContact O-N 2.81Å; V437-K439 VanDerWaalsContact C-N 3.32Å; V437-K439 PolarHBondContact O-N 3.09Å; V437-L440 PolarHBondContact O-N 3.37Å; V437-L440 VanDerWaalsContact O-N 3.15Å; V437-F441 HydrophobicContact CG1-CD2 3.88Å; V437-F441 HydrophobicContact CG1-CE2 3.76Å; V437-F441 VanDerWaalsContact O-CD2 3.27Å; V437-F441 WeakPolarHBondContact O-CD2 3.07Å; V437-F441 PolarHBondContact O-N 3.2Å |
| 438 | L | 87.9 | Confident | 78.8 | Confident | 121 Ų | 121 | 128.1 Ų | 128.1 | 63% | 0.634 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -58.3 | -45.1 | 174.7 | -77.3 | 166.5 | 0 | 0 | 0 | 111.1 | L434 E435 L440 F441 S442 | L434-L438 WeakPolarHBondContact O-CG 3.39Å; L434-L438 PolarHBondContact O-N 2.9Å; E435-L438 PolarHBondContact O-N 3.05Å; L438-L440 PolarHBondContact O-N 3.38Å; L438-F441 CarbonylContact O-C 3.53Å; L438-F441 WeakPolarHBondContact O-CA 3.35Å; L438-F441 PolarHBondContact O-N 3.16Å; L438-S442 PolarHBondContact O-N 3.47Å; L438-S442 PolarHBondContact O-OG 2.94Å |
| 439 | K | 86.6 | Confident | 76.7 | Confident | 166 Ų | 166 | 131.7 Ų | 131.7 | 72% | 0.722 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -64.7 | -23.1 | 178 | -169.3 | 168.9 | -174.9 | 170.5 | 0 | 113.9 | E435 Q436 V437 | E435-K439 VanDerWaalsContact O-CB 3.31Å; E435-K439 WeakPolarHBondContact O-CB 3.33Å; E435-K439 PolarHBondContact O-N 3.03Å; Q436-K439 PolarHBondContact O-N 2.94Å; V437-K439 VanDerWaalsContact C-N 3.32Å; V437-K439 PolarHBondContact O-N 3.09Å |
| 440 | L | 81.9 | Confident | 74 | Confident | 148 Ų | 148 | 138.1 Ų | 138.1 | 78% | 0.775 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -81.8 | -19.7 | 171.1 | -72.1 | 168.6 | 0 | 0 | 0 | 113.3 | Q436 V437 L438 | Q436-L440 WeakPolarHBondContact O-CG 3.44Å; Q436-L440 PolarHBondContact O-N 3.13Å; Q436-L440 VanDerWaalsContact O-N 3.08Å; V437-L440 PolarHBondContact O-N 3.37Å; V437-L440 VanDerWaalsContact O-N 3.15Å; L438-L440 PolarHBondContact O-N 3.38Å |
| 441 | F | 74.7 | Confident | 71.3 | Confident | 165 Ų | 165 | 140.7 Ų | 140.7 | 72% | 0.724 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -94.7 | -14.4 | 173.3 | -76 | -66 | 0 | 0 | 0 | 113.6 | V437 L438 I443 | V437-F441 HydrophobicContact CG1-CD2 3.88Å; V437-F441 HydrophobicContact CG1-CE2 3.76Å; V437-F441 VanDerWaalsContact O-CD2 3.27Å; V437-F441 WeakPolarHBondContact O-CD2 3.07Å; V437-F441 PolarHBondContact O-N 3.2Å; L438-F441 CarbonylContact O-C 3.53Å; L438-F441 WeakPolarHBondContact O-CA 3.35Å; L438-F441 PolarHBondContact O-N 3.16Å; F441-I443 VanDerWaalsContact C-N 3.32Å; F441-I443 PolarHBondContact O-N 2.98Å |
| 442 | S | 64.5 | Low | 68.7 | Low | 87 Ų | 87 | 143.8 Ų | 143.8 | 61% | 0.608 | 71% | 0.71 | S | S | * | * | trans | -69.9 | 85.2 | 166.5 | -64.2 | 0 | 0 | 0 | 0 | 110.9 | L438 | L438-S442 PolarHBondContact O-N 3.47Å; L438-S442 PolarHBondContact O-OG 2.94Å | ||
| 443 | I | 57.8 | Low | 65.9 | Low | 146 Ų | 146 | 146.6 Ų | 146.6 | 75% | 0.749 | 73% | 0.728 | S | S | * | * | trans | -60.6 | 135 | 161.8 | -53.8 | 175.5 | 0 | 0 | 0 | 107.5 | F441 E445 | F441-I443 VanDerWaalsContact C-N 3.32Å; F441-I443 PolarHBondContact O-N 2.98Å; I443-E445 PolarHBondContact O-N 3.44Å | ||
| 444 | P | 55.6 | Low | 63.4 | Low | 96 Ų | 96 | 152.2 Ų | 152.2 | 62% | 0.623 | 75% | 0.748 | S | S | * | * | trans | -63.9 | 125.7 | 166.8 | -15.5 | 29.8 | 0 | 0 | 0 | 109.2 | E446 | P444-E446 HydrophobicContact CB-CG 4.25Å; P444-E446 PolarHBondContact O-N 2.98Å | ||
| 445 | E | 52.5 | Low | 60.6 | Low | 197 Ų | 197 | 155.2 Ų | 155.2 | 92% | 0.921 | 76% | 0.759 | S | S | * | * | trans | -71.1 | 91.9 | 159.5 | -68.9 | 177.4 | 153.9 | 0 | 0 | 106 | I443 | I443-E445 PolarHBondContact O-N 3.44Š| ||
| 446 | E | 51.9 | Low | 58 | Low | 171 Ų | 171 | 157.1 Ų | 157.1 | 80% | 0.799 | 77% | 0.768 | S | S | * | * | trans | -68.4 | 143 | 172.8 | -66 | -171.8 | 151.1 | 0 | 0 | 109.4 | P444 E448 | P444-E446 HydrophobicContact CB-CG 4.25Å; P444-E446 PolarHBondContact O-N 2.98Å; E446-E448 PolarHBondContact O-N 2.67Å | ||
| 447 | E | 52.1 | Low | 55.2 | Low | 186 Ų | 186 | 157 Ų | 157 | 87% | 0.869 | 77% | 0.767 | S | S | * | * | trans | -74.7 | 118.8 | -167.8 | -62.9 | 164.3 | 137 | 0 | 0 | 111 | ||||
| 448 | E | 43.6 | Very low | 52.5 | Low | 202 Ų | 202 | 161.7 Ų | 161.7 | 94% | 0.944 | 78% | 0.781 | S | S | * | * | trans | -88.8 | 101 | 159 | -74.7 | -169.4 | 150.7 | 0 | 0 | 108.5 | E446 | E446-E448 PolarHBondContact O-N 2.67Š| ||
| 449 | E | 49.9 | Very low | 49.9 | Very low | 181 Ų | 181 | 162.2 Ų | 162.2 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | trans | -76.1 | 125.5 | 164.1 | -63.6 | -177.6 | 131.5 | 0 | 0 | 109.6 | ||||
| 450 | E | 40.2 | Very low | 47.4 | Very low | 198 Ų | 198 | 157.7 Ų | 157.7 | 93% | 0.925 | 80% | 0.796 | S | S | * | * | trans | -134.9 | 144.1 | 148.6 | -75.7 | -159.2 | 144 | 0 | 0 | 109.8 | ||||
| 451 | E | 41.3 | Very low | 45.3 | Very low | 188 Ų | 188 | 156.2 Ų | 156.2 | 88% | 0.879 | 81% | 0.805 | S | S | * | * | trans | -81.5 | 152.8 | 176.1 | -55.4 | 177.5 | 120.6 | 0 | 0 | 110.3 | ||||
| 452 | E | 40.9 | Very low | 43.3 | Very low | 179 Ų | 179 | 151.5 Ų | 151.5 | 84% | 0.836 | 80% | 0.803 | S | S | * | * | 177.8 | 123 | 127.3 | -98.3 | 175.5 | -172 | 0 | 0 | 113.1 | |||||
| 453 | D | 36.6 | Very low | 41.8 | Very low | 155 Ų | 155 | 153.5 Ų | 153.5 | 83% | 0.829 | 82% | 0.816 | S | S | * | * | trans | 66.4 | 164.3 | 140.2 | -68.7 | 1.5 | 0 | 0 | 0 | 124.6 | ||||
| 454 | E | 42.3 | Very low | 40.9 | Very low | 182 Ų | 182 | 152 Ų | 152 | 85% | 0.85 | 82% | 0.817 | S | S | * | * | trans | -97.9 | 149.5 | -168.4 | -49.1 | -177.9 | 140.1 | 0 | 0 | 112.3 | ||||
| 455 | E | 36.2 | Very low | 40.1 | Very low | 177 Ų | 177 | 152.2 Ų | 152.2 | 83% | 0.827 | 82% | 0.822 | S | S | * | * | 171.3 | 138.2 | 118.7 | -94.8 | -169.3 | 166.8 | 0 | 0 | 115.3 | |||||
| 456 | E | 37.6 | Very low | 39.4 | Very low | 161 Ų | 161 | 153.9 Ų | 153.9 | 75% | 0.752 | 82% | 0.82 | S | S | * | * | trans | 54 | 150.4 | 136.5 | -70.2 | -101.4 | 97.6 | 0 | 0 | 126.3 | ||||
| 457 | E | 34.5 | Very low | 38.7 | Very low | 120 Ų | 120 | 152.6 Ų | 152.6 | 56% | 0.561 | 82% | 0.818 | S | S | * | * | trans | 68 | 96.8 | 147.2 | -67.1 | -89.4 | 110.5 | 0 | 0 | 123.2 | ||||
| 458 | K | 33.5 | Very low | 38.6 | Very low | 169 Ų | 169 | 149.4 Ų | 149.4 | 74% | 0.735 | 81% | 0.814 | S | S | * | * | 44.1 | 112.9 | 121.3 | -60.8 | 175.2 | -169.2 | 146.6 | 0 | 120.7 | |||||
| 459 | S | 33.8 | Very low | 38.2 | Very low | 132 Ų | 132 | 142.5 Ų | 142.5 | 92% | 0.923 | 80% | 0.797 | S | S | * | * | 170 | 158 | 107.7 | 48.7 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 460 | G | 34 | Very low | 38.5 | Very low | 71 Ų | 71 | 140 Ų | 140 | 73% | 0.732 | 80% | 0.796 | S | S | * | * | cis | 167.4 | 114.2 | -10.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 461 | A | 37.7 | Very low | 39.1 | Very low | 117 Ų | 117 | 135.8 Ų | 135.8 | 97% | 0.967 | 79% | 0.786 | S | S | * | * | trans | 64.9 | 146.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 462 | G | 33.1 | Very low | 38.9 | Very low | 66 Ų | 66 | 135.1 Ų | 135.1 | 68% | 0.68 | 78% | 0.783 | S | S | * | * | cis | 172 | -178.5 | -6.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 463 | C | 33.2 | Very low | 39.3 | Very low | 130 Ų | 130 | 132.4 Ų | 132.4 | 88% | 0.878 | 78% | 0.781 | S | S | * | * | trans | 66.5 | 108.3 | 176 | -60.9 | 0 | 0 | 0 | 0 | 116 | ||||
| 464 | S | 38.6 | Very low | 39.2 | Very low | 113 Ų | 113 | 128.7 Ų | 128.7 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | 72.4 | 130.3 | 60.3 | -163.1 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 465 | S | 39.6 | Very low | 38.7 | Very low | 102 Ų | 102 | 127.2 Ų | 127.2 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | cis | -153.8 | 139.7 | 35.3 | 58.1 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 466 | R | 37.4 | Very low | 38.6 | Very low | 232 Ų | 232 | 126.8 Ų | 126.8 | 88% | 0.875 | 77% | 0.771 | S | S | * | * | trans | 26.1 | 121.3 | 138.3 | -65.1 | 177 | 167.9 | 175.5 | -5.6 | 119.1 | ||||
| 467 | D | 37.8 | Very low | 38.3 | Very low | 144 Ų | 144 | 122.8 Ų | 122.8 | 77% | 0.77 | 77% | 0.773 | S | S | * | * | 60.3 | 127.3 | 65.4 | -156.6 | 43.4 | 0 | 0 | 0 | 113 | |||||
| 468 | P | 50 | Low | 38.3 | Very low | 119 Ų | 119 | 126 Ų | 126 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | -144.7 | 157.7 | 73.7 | 42.2 | -25.3 | 0 | 0 | 0 | 117.8 | |||||
| 469 | G | 33.5 | Very low | 38.2 | Very low | 57 Ų | 57 | 121 Ų | 121 | 59% | 0.588 | 79% | 0.79 | S | S | * | * | trans | -81.2 | -150.5 | 151.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 470 | P | 56.7 | Low | 38 | Very low | 127 Ų | 127 | 120.8 Ų | 120.8 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | cis | -123.1 | -140.3 | -9 | 34.6 | -10.5 | 0 | 0 | 0 | 108.5 | ||||
| 471 | P | 52.4 | Low | 37.9 | Very low | 111 Ų | 111 | 125 Ų | 125 | 72% | 0.721 | 79% | 0.792 | S | S | * | * | cis | -139.1 | 178.3 | -12 | 45.2 | -28 | 0 | 0 | 0 | 116.6 | ||||
| 472 | E | 38.6 | Very low | 37.6 | Very low | 174 Ų | 174 | 125 Ų | 125 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | trans | -76.9 | 167.9 | 150.4 | -64.2 | -163.7 | 140 | 0 | 0 | 111 | ||||
| 473 | P | 48.4 | Very low | 37.5 | Very low | 122 Ų | 122 | 125.7 Ų | 125.7 | 79% | 0.792 | 79% | 0.792 | S | S | * | * | -153 | 152.1 | 99.5 | 38.7 | -21.2 | 0 | 0 | 0 | 117.7 | |||||
| 474 | A | 34.2 | Very low | 37.8 | Very low | 76 Ų | 76 | 128.3 Ų | 128.3 | 63% | 0.628 | 79% | 0.792 | S | S | * | * | trans | 75.3 | 112.6 | 131.2 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 475 | L | 32.4 | Very low | 38.7 | Very low | 152 Ų | 152 | 127.5 Ų | 127.5 | 80% | 0.796 | 78% | 0.784 | S | S | * | * | 98.6 | 132.7 | 115 | -76.7 | 176.4 | 0 | 0 | 0 | 123 | |||||
| 476 | L | 33.6 | Very low | 38.1 | Very low | 167 Ų | 167 | 134.3 Ų | 134.3 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | trans | 74.8 | 116.4 | 151.5 | -64.7 | 165.1 | 0 | 0 | 0 | 119.9 | ||||
| 477 | G | 30.8 | Very low | 38 | Very low | 78 Ų | 78 | 134.5 Ų | 134.5 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | 172.4 | 87.5 | 167.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 478 | L | 35.8 | Very low | 38.4 | Very low | 187 Ų | 187 | 133.2 Ų | 133.2 | 98% | 0.979 | 79% | 0.794 | S | S | * | * | trans | -70.3 | 153.2 | 159.7 | -55.2 | 166.2 | 0 | 0 | 0 | 108.3 | ||||
| 479 | G | 30.2 | Very low | 37.4 | Very low | 65 Ų | 65 | 130.7 Ų | 130.7 | 67% | 0.67 | 79% | 0.789 | S | S | * | * | cis | 160.8 | 157.7 | 0.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 480 | C | 30.4 | Very low | 37.2 | Very low | 126 Ų | 126 | 137.2 Ų | 137.2 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | trans | 67.5 | 112.3 | 172.9 | -59.2 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 481 | D | 31.1 | Very low | 35.7 | Very low | 159 Ų | 159 | 136.9 Ų | 136.9 | 85% | 0.85 | 80% | 0.804 | S | S | * | * | trans | 30.9 | 112.3 | 141.6 | -61.9 | -67.2 | 0 | 0 | 0 | 123 | ||||
| 482 | S | 31.6 | Very low | 35.4 | Very low | 118 Ų | 118 | 136.8 Ų | 136.8 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | -163.7 | 115 | 110.1 | 65.7 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 483 | G | 30.4 | Very low | 34.9 | Very low | 80 Ų | 80 | 136.4 Ų | 136.4 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | trans | -96.4 | 104.1 | -170.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 484 | Q | 39.7 | Very low | 34 | Very low | 186 Ų | 186 | 135.8 Ų | 135.8 | 87% | 0.869 | 81% | 0.805 | S | S | * | * | trans | -173.3 | 165.7 | 159.6 | -106.7 | -155.6 | 28.9 | 0 | 0 | 110 | ||||
| 485 | P | 58.2 | Low | 34.6 | Very low | 95 Ų | 95 | 137.2 Ų | 137.2 | 62% | 0.617 | 81% | 0.808 | S | S | * | * | cis | -126.8 | -171 | -48.9 | 37.7 | -21.8 | 0 | 0 | 0 | 110.3 | ||||
| 486 | R | 27.5 | Very low | 34.4 | Very low | 245 Ų | 245 | 138.2 Ų | 138.2 | 93% | 0.925 | 81% | 0.808 | S | S | * | * | trans | 163.5 | 162 | 139.2 | -91.6 | 163.1 | 179.6 | -133.7 | 0.3 | 117.4 | ||||
| 487 | R | 34.7 | Very low | 34.1 | Very low | 236 Ų | 236 | 135.1 Ų | 135.1 | 89% | 0.891 | 80% | 0.801 | S | S | * | * | trans | -67.9 | -179 | 156.2 | -73 | 176.3 | 173.7 | 160.6 | -3.2 | 111.5 | ||||
| 488 | P | 46.3 | Very low | 34.1 | Very low | 118 Ų | 118 | 136.3 Ų | 136.3 | 77% | 0.766 | 80% | 0.797 | S | S | * | * | cis | -133.1 | -162.3 | 8.3 | 47.2 | -29.4 | 0 | 0 | 0 | 112.9 | ||||
| 489 | G | 29.1 | Very low | 33.6 | Very low | 65 Ų | 65 | 139.1 Ų | 139.1 | 67% | 0.67 | 79% | 0.794 | S | S | * | * | cis | 113.3 | 100 | -9.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 490 | Q | 29.5 | Very low | 33.7 | Very low | 195 Ų | 195 | 140.7 Ų | 140.7 | 91% | 0.911 | 80% | 0.801 | S | S | * | * | trans | -169.3 | 171.5 | 166.6 | -111.1 | 169 | 109.7 | 0 | 0 | 111.7 | ||||
| 491 | C | 25.9 | Very low | 33.7 | Very low | 120 Ų | 120 | 137.8 Ų | 137.8 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | trans | -82.3 | -169.8 | 175.4 | -48.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 492 | P | 45.5 | Very low | 33.8 | Very low | 109 Ų | 109 | 137.7 Ų | 137.7 | 71% | 0.708 | 79% | 0.792 | S | S | * | * | cis | -147.8 | -170.1 | 6 | 45.5 | -24.9 | 0 | 0 | 0 | 118.2 | ||||
| 493 | L | 27.8 | Very low | 33.7 | Very low | 165 Ų | 165 | 137.1 Ų | 137.1 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | trans | 78.9 | 156 | 156.8 | -64.6 | 176.2 | 0 | 0 | 0 | 121.7 | ||||
| 494 | S | 29.8 | Very low | 33.7 | Very low | 110 Ų | 110 | 140.8 Ų | 140.8 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | trans | -82 | -174.8 | -179.6 | -26.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 495 | P | 47.4 | Very low | 33.6 | Very low | 106 Ų | 106 | 140.4 Ų | 140.4 | 69% | 0.688 | 79% | 0.785 | S | S | * | * | cis | -150.6 | -177.2 | 25.8 | 44.3 | -21.6 | 0 | 0 | 0 | 120.1 | ||||
| 496 | E | 27.8 | Very low | 32.1 | Very low | 172 Ų | 172 | 142.5 Ų | 142.5 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | 65.1 | 117.2 | 138.9 | -82.5 | 172.9 | 139.9 | 0 | 0 | 126.4 | ||||
| 497 | S | 26.7 | Very low | 32.5 | Very low | 102 Ų | 102 | 138.2 Ų | 138.2 | 71% | 0.713 | 78% | 0.783 | S | S | * | * | 107 | 119.9 | 117.5 | 78 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 498 | S | 30 | Very low | 33.3 | Very low | 104 Ų | 104 | 132.9 Ų | 132.9 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | 73.2 | 118.8 | 128 | 73.1 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 499 | R | 27.2 | Very low | 32.5 | Very low | 245 Ų | 245 | 130.4 Ų | 130.4 | 93% | 0.925 | 78% | 0.775 | S | S | * | * | 160.4 | 163.3 | 129.8 | -90.9 | 179.8 | 171.3 | -151.1 | -3.1 | 109.9 | |||||
| 500 | A | 31.1 | Very low | 32.9 | Very low | 99 Ų | 99 | 135.2 Ų | 135.2 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | cis | 160.4 | 135.9 | -45.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 501 | G | 31.7 | Very low | 32.9 | Very low | 65 Ų | 65 | 132.3 Ų | 132.3 | 67% | 0.67 | 78% | 0.78 | S | S | * | * | trans | 104.8 | 148.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 502 | D | 32.3 | Very low | 33.1 | Very low | 157 Ų | 157 | 130.2 Ų | 130.2 | 84% | 0.84 | 78% | 0.778 | S | S | * | * | cis | -163.5 | 161.6 | -9.3 | -103 | -40.5 | 0 | 0 | 0 | 113.1 | ||||
| 503 | C | 29.1 | Very low | 32.4 | Very low | 106 Ų | 106 | 128.2 Ų | 128.2 | 72% | 0.716 | 78% | 0.778 | S | S | * | * | trans | 61.9 | 138.9 | 166.5 | -63.5 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 504 | L | 31.7 | Very low | 32.6 | Very low | 157 Ų | 157 | 126.4 Ų | 126.4 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | cis | 76.1 | 134 | 47.4 | -75.5 | 164.2 | 0 | 0 | 0 | 113.5 | ||||
| 505 | E | 36.2 | Very low | 32.6 | Very low | 177 Ų | 177 | 125.2 Ų | 125.2 | 83% | 0.827 | 77% | 0.771 | S | S | * | * | cis | -121.4 | -168.6 | 9.1 | -59.7 | -174 | 108.6 | 0 | 0 | 111.2 | ||||
| 506 | D | 27.1 | Very low | 32 | Very low | 139 Ų | 139 | 131 Ų | 131 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | cis | -164.1 | 173.7 | 34 | -165 | 9.8 | 0 | 0 | 0 | 113.4 | ||||
| 507 | M | 36.6 | Very low | 32.2 | Very low | 156 Ų | 156 | 133 Ų | 133 | 77% | 0.768 | 78% | 0.779 | S | S | * | * | trans | -153.1 | 168.9 | -171.1 | -93.6 | -67.7 | 105.7 | 0 | 0 | 110.8 | ||||
| 508 | P | 51.3 | Low | 32.5 | Very low | 124 Ų | 124 | 138.7 Ų | 138.7 | 81% | 0.805 | 79% | 0.785 | S | S | * | * | cis | -158.4 | 176.8 | 41.8 | 44 | -21.4 | 0 | 0 | 0 | 121 | ||||
| 509 | G | 28.6 | Very low | 32.4 | Very low | 66 Ų | 66 | 137.6 Ų | 137.6 | 68% | 0.68 | 79% | 0.79 | S | S | * | * | trans | 105.9 | 154.6 | 138.9 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 510 | L | 37.1 | Very low | 32.6 | Very low | 165 Ų | 165 | 129.9 Ų | 129.9 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | cis | -167.6 | 161.5 | -14.6 | -128.4 | 174.9 | 0 | 0 | 0 | 111.1 | ||||
| 511 | V | 30.3 | Very low | 32.5 | Very low | 134 Ų | 134 | 129 Ų | 129 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | trans | 70.6 | 138.1 | 174.5 | -172.1 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 512 | G | 29.8 | Very low | 32.6 | Very low | 76 Ų | 76 | 131.9 Ų | 131.9 | 78% | 0.784 | 80% | 0.797 | S | S | * | * | cis | 134.3 | 138.1 | -4.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 513 | G | 31.2 | Very low | 32.9 | Very low | 67 Ų | 67 | 129.6 Ų | 129.6 | 69% | 0.691 | 79% | 0.791 | S | S | * | * | cis | 171.9 | 170.1 | -8.7 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 514 | S | 31 | Very low | 33 | Very low | 127 Ų | 127 | 133.2 Ų | 133.2 | 89% | 0.888 | 80% | 0.797 | S | S | * | * | trans | 75.8 | 161.2 | 170.7 | 91.7 | 0 | 0 | 0 | 0 | 118 | ||||
| 515 | S | 31.6 | Very low | 33 | Very low | 86 Ų | 86 | 135.7 Ų | 135.7 | 60% | 0.601 | 80% | 0.801 | S | S | * | * | cis | -159.4 | 153.7 | 1.3 | 106 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 516 | R | 34.1 | Very low | 33.4 | Very low | 227 Ų | 227 | 132.7 Ų | 132.7 | 86% | 0.857 | 80% | 0.797 | S | S | * | * | trans | 70.7 | 104.1 | 147.1 | -64.9 | 169.4 | -160 | -108.7 | -2 | 124 | ||||
| 517 | R | 32.3 | Very low | 34 | Very low | 213 Ų | 213 | 131.5 Ų | 131.5 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | 57.5 | 121.1 | 116.6 | -73 | -167.6 | -176 | -86.7 | 5.5 | 123.7 | |||||
| 518 | R | 32.2 | Very low | 33.7 | Very low | 222 Ų | 222 | 128.8 Ų | 128.8 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | 92.8 | 125.1 | 125 | -162 | -160.2 | -60.6 | -97.2 | 12.3 | 119.3 | |||||
| 519 | G | 29 | Very low | 32.7 | Very low | 82 Ų | 82 | 135 Ų | 135 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | trans | 101.1 | 137.9 | 170 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 520 | G | 30.7 | Very low | 33 | Very low | 82 Ų | 82 | 143 Ų | 143 | 85% | 0.845 | 81% | 0.811 | S | S | * | * | cis | 161 | 123.1 | -7.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 521 | G | 27.8 | Very low | 32.9 | Very low | 80 Ų | 80 | 146.7 Ų | 146.7 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | trans | 100.8 | 139.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 522 | S | 34.1 | Very low | 33.2 | Very low | 126 Ų | 126 | 146 Ų | 146 | 88% | 0.881 | 81% | 0.811 | S | S | * | * | trans | -96.6 | 149.4 | -175.9 | -53.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 523 | P | 38.3 | Very low | 33.7 | Very low | 109 Ų | 109 | 148.4 Ų | 148.4 | 71% | 0.708 | 81% | 0.813 | S | S | * | * | trans | -125.6 | 141.6 | 145.9 | 35.1 | -24.9 | 0 | 0 | 0 | 113.8 | ||||
| 524 | E | 33.1 | Very low | 33.7 | Very low | 183 Ų | 183 | 151.8 Ų | 151.8 | 86% | 0.855 | 82% | 0.815 | S | S | * | * | trans | 46.1 | 116 | 146.3 | -56.1 | -174.7 | 118 | 0 | 0 | 122.1 | ||||
| 525 | K | 30.1 | Very low | 34.1 | Very low | 208 Ų | 208 | 151.6 Ų | 151.6 | 90% | 0.904 | 81% | 0.811 | S | S | * | * | trans | -170.5 | 166.1 | 136.2 | -112.8 | 161.2 | -169 | 173.6 | 0 | 112.4 | ||||
| 526 | P | 46.1 | Very low | 34.4 | Very low | 115 Ų | 115 | 158 Ų | 158 | 75% | 0.747 | 82% | 0.822 | S | S | * | * | -107 | -163.5 | -101.2 | 38 | -22.7 | 0 | 0 | 0 | 112.5 | |||||
| 527 | P | 39.8 | Very low | 34.3 | Very low | 114 Ų | 114 | 155.6 Ų | 155.6 | 74% | 0.74 | 82% | 0.821 | S | S | * | * | -154 | 173.4 | 110.3 | 39.5 | -22.6 | 0 | 0 | 0 | 118.1 | |||||
| 528 | S | 29 | Very low | 34.3 | Very low | 99 Ų | 99 | 153.5 Ų | 153.5 | 69% | 0.692 | 82% | 0.82 | S | S | * | * | trans | 77.4 | 99.4 | 151.9 | 70.2 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 529 | R | 31.6 | Very low | 34.1 | Very low | 253 Ų | 253 | 149 Ų | 149 | 96% | 0.955 | 82% | 0.821 | S | S | * | * | trans | -66 | 139 | 142.4 | -73.9 | 177.9 | 169.2 | 178.8 | -5 | 108.8 | ||||
| 530 | R | 34.6 | Very low | 34.1 | Very low | 236 Ų | 236 | 150.8 Ų | 150.8 | 89% | 0.891 | 82% | 0.82 | S | S | * | * | trans | -110.5 | 151.9 | 159.3 | -77.2 | -174.1 | 173.1 | -114.7 | -0.1 | 109.6 | ||||
| 531 | R | 34.9 | Very low | 34.1 | Very low | 241 Ų | 241 | 158.2 Ų | 158.2 | 91% | 0.909 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 151.8 | -179.6 | -56.7 | 176.6 | -168.6 | 145.2 | 1.5 | 110.8 | ||
| 532 | P | 36.7 | Very low | 34.3 | Very low | 119 Ų | 119 | 162 Ų | 162 | 77% | 0.773 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -72 | 157.7 | 164 | 32.8 | -34.9 | 0 | 0 | 0 | 111.5 | ||
| 533 | P | 38.8 | Very low | 34.1 | Very low | 127 Ų | 127 | 164 Ų | 164 | 83% | 0.825 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 164.9 | 174.3 | 36.5 | -34.5 | 0 | 0 | 0 | 113.5 | ||
| 534 | D | 32.8 | Very low | 33.6 | Very low | 138 Ų | 138 | 163.6 Ų | 163.6 | 74% | 0.738 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -100.8 | 130.5 | -175 | 178.8 | 12.6 | 0 | 0 | 0 | 112 | R536 | D534-R536 PolarHBondContact O-N 3.3Å; D534-R536 VanDerWaalsContact O-N 3.16Å |
| 535 | P | 38 | Very low | 33.6 | Very low | 124 Ų | 124 | 161.5 Ų | 161.5 | 81% | 0.805 | 82% | 0.818 | S | S | * | * | trans | -87 | 72.6 | -175.5 | 35.6 | -37.5 | 0 | 0 | 0 | 114.2 | ||||
| 536 | R | 38.1 | Very low | 33.5 | Very low | 221 Ų | 221 | 159.7 Ų | 159.7 | 83% | 0.834 | 82% | 0.818 | S | S | * | * | trans | -139.2 | 85.5 | 166.2 | -94.2 | -170.8 | 166.4 | -126.3 | 1.3 | 113 | D534 | D534-R536 PolarHBondContact O-N 3.3Å; D534-R536 VanDerWaalsContact O-N 3.16Å | ||
| 537 | E | 33.4 | Very low | 32.7 | Very low | 175 Ų | 175 | 157.4 Ų | 157.4 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | trans | -169.6 | 166.3 | 149.5 | -114.2 | 160.5 | -146.2 | 0 | 0 | 113.8 | ||||
| 538 | H | 30.6 | Very low | 33.5 | Very low | 170 Ų | 170 | 158.1 Ų | 158.1 | 79% | 0.787 | 82% | 0.82 | S | S | * | * | trans | 66.5 | 98 | 170.8 | -59.7 | -43.6 | 0 | 0 | 0 | 120.6 | ||||
| 539 | C | 28 | Very low | 33.4 | Very low | 127 Ų | 127 | 162.8 Ų | 162.8 | 86% | 0.858 | 83% | 0.831 | S | S | * | * | trans | -119 | 161.5 | 136.7 | -85.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 540 | S | 30.2 | Very low | 33.3 | Very low | 120 Ų | 120 | 155.5 Ų | 155.5 | 84% | 0.839 | 82% | 0.824 | S | S | * | * | trans | 104.3 | 58.9 | 168.2 | -52 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 541 | R | 31.2 | Very low | 33.1 | Very low | 238 Ų | 238 | 150.5 Ų | 150.5 | 90% | 0.898 | 83% | 0.826 | S | S | * | * | trans | -152.3 | 137.4 | 146.4 | -69.8 | -163.5 | -173 | -174.7 | 3.2 | 107.4 | ||||
| 542 | L | 30.6 | Very low | 32.6 | Very low | 159 Ų | 159 | 142.1 Ų | 142.1 | 83% | 0.832 | 82% | 0.815 | S | S | * | * | cis | -154 | 156.7 | -3.3 | -99.3 | 157.8 | 0 | 0 | 0 | 108 | ||||
| 543 | L | 29.5 | Very low | 32.3 | Very low | 167 Ų | 167 | 147.4 Ų | 147.4 | 87% | 0.874 | 82% | 0.819 | S | S | * | * | trans | -124.1 | 108 | 163.1 | -82.3 | 178.2 | 0 | 0 | 0 | 110.9 | ||||
| 544 | S | 29 | Very low | 31.7 | Very low | 102 Ų | 102 | 149 Ų | 149 | 71% | 0.713 | 82% | 0.819 | S | S | * | * | 175.8 | 137.9 | 129.1 | -90.8 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 545 | N | 31.8 | Very low | 31.4 | Very low | 139 Ų | 139 | 145.5 Ų | 145.5 | 74% | 0.743 | 82% | 0.817 | S | S | * | * | trans | 57.6 | 117.9 | 144.6 | -53.7 | -7.9 | 0 | 0 | 0 | 119.8 | ||||
| 546 | N | 28.8 | Very low | 32 | Very low | 170 Ų | 170 | 145.7 Ų | 145.7 | 91% | 0.909 | 82% | 0.818 | S | S | * | * | -160.8 | 165.6 | 97.3 | -104.7 | -68.9 | 0 | 0 | 0 | 112.9 | |||||
| 547 | G | 29.5 | Very low | 31.5 | Very low | 67 Ų | 67 | 141.1 Ų | 141.1 | 69% | 0.691 | 82% | 0.815 | S | S | * | * | trans | -86.3 | 178.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 548 | P | 55.5 | Low | 31.6 | Very low | 128 Ų | 128 | 143.9 Ų | 143.9 | 83% | 0.831 | 82% | 0.818 | S | S | * | * | trans | -100.7 | 153.9 | -159.5 | 37.5 | -36.2 | 0 | 0 | 0 | 116.2 | ||||
| 549 | Q | 27.9 | Very low | 31.8 | Very low | 198 Ų | 198 | 142.5 Ų | 142.5 | 93% | 0.925 | 81% | 0.811 | S | S | * | * | trans | -145.6 | 167.4 | 146.8 | -82.6 | -149 | 13.6 | 0 | 0 | 110.2 | ||||
| 550 | A | 28.7 | Very low | 32.1 | Very low | 99 Ų | 99 | 146.3 Ų | 146.3 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | -133.4 | 155 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 551 | S | 30.8 | Very low | 32.1 | Very low | 132 Ų | 132 | 144.6 Ų | 144.6 | 92% | 0.923 | 81% | 0.809 | S | S | * | * | trans | -175.8 | 156.5 | 144.9 | -161.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 552 | G | 25.8 | Very low | 31.7 | Very low | 65 Ų | 65 | 137 Ų | 137 | 67% | 0.67 | 81% | 0.805 | S | S | * | * | trans | 115.6 | 91.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 553 | R | 29.5 | Very low | 31.7 | Very low | 230 Ų | 230 | 137.8 Ų | 137.8 | 87% | 0.868 | 81% | 0.809 | S | S | * | * | 55.3 | 135.7 | 78.8 | -81.7 | -173.4 | 171.1 | -109.8 | -0.7 | 113.6 | |||||
| 554 | L | 27.1 | Very low | 32.8 | Very low | 159 Ų | 159 | 135.2 Ų | 135.2 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | cis | -135.8 | 169.7 | 39.2 | -69.2 | 159.7 | 0 | 0 | 0 | 115 | ||||
| 555 | G | 25.8 | Very low | 32.8 | Very low | 66 Ų | 66 | 135.8 Ų | 135.8 | 68% | 0.68 | 80% | 0.801 | S | S | * | * | trans | -111.5 | -147.2 | 170 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 556 | P | 49.9 | Very low | 32.6 | Very low | 128 Ų | 128 | 135.9 Ų | 135.9 | 83% | 0.831 | 80% | 0.8 | S | S | * | * | cis | -114.2 | -139 | 12.3 | 21.9 | 4.7 | 0 | 0 | 0 | 111.7 | ||||
| 557 | T | 28.8 | Very low | 32.6 | Very low | 125 Ų | 125 | 136.2 Ų | 136.2 | 77% | 0.767 | 80% | 0.797 | S | S | * | * | cis | -149.6 | -135 | 9.9 | -35.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 558 | R | 35 | Very low | 32.6 | Very low | 232 Ų | 232 | 135.9 Ų | 135.9 | 88% | 0.875 | 79% | 0.793 | S | S | * | * | trans | -169.4 | 164.8 | -162.8 | -117.1 | -175.8 | 177.5 | -171.2 | -1.4 | 115.1 | ||||
| 559 | E | 33.6 | Very low | 32.2 | Very low | 141 Ų | 141 | 134.8 Ų | 134.8 | 66% | 0.659 | 79% | 0.786 | S | S | * | * | trans | 166 | 164.1 | 139.3 | -88.7 | -70.9 | 55.9 | 0 | 0 | 109.4 | ||||
| 560 | R | 34.6 | Very low | 32.4 | Very low | 208 Ų | 208 | 136.1 Ų | 136.1 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | cis | -157.9 | 130.1 | -18.5 | 172.1 | 173.4 | -76.8 | -126.3 | -1.4 | 110.5 | ||||
| 561 | G | 30.1 | Very low | 32.4 | Very low | 83 Ų | 83 | 137.9 Ų | 137.9 | 86% | 0.856 | 78% | 0.783 | S | S | * | * | trans | 70.4 | 158.5 | 162.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 562 | G | 24.3 | Very low | 32.3 | Very low | 80 Ų | 80 | 134.5 Ų | 134.5 | 83% | 0.825 | 77% | 0.769 | S | S | * | * | cis | -169.7 | 163.5 | -5.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 563 | L | 29.9 | Very low | 32.7 | Very low | 174 Ų | 174 | 139.3 Ų | 139.3 | 91% | 0.911 | 78% | 0.779 | S | S | * | * | trans | -105.1 | 177.8 | 172.9 | -84.3 | 172.7 | 0 | 0 | 0 | 109.4 | ||||
| 564 | P | 53.3 | Low | 32.8 | Very low | 113 Ų | 113 | 135.6 Ų | 135.6 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | cis | -136.5 | -150.2 | 17.6 | 40 | -15.1 | 0 | 0 | 0 | 112.2 | ||||
| 565 | V | 28.1 | Very low | 33.1 | Very low | 114 Ų | 114 | 132 Ų | 132 | 69% | 0.691 | 76% | 0.764 | S | S | * | * | cis | -162 | 152.3 | -0.2 | 80.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 566 | I | 28.5 | Very low | 33.3 | Very low | 142 Ų | 142 | 134.2 Ų | 134.2 | 73% | 0.728 | 77% | 0.769 | S | S | * | * | trans | 64.2 | 152.1 | 162.5 | -73.5 | 158.6 | 0 | 0 | 0 | 115 | ||||
| 567 | E | 27.5 | Very low | 32.4 | Very low | 177 Ų | 177 | 131.9 Ų | 131.9 | 83% | 0.827 | 77% | 0.769 | S | S | * | * | cis | -141.1 | 161.2 | 18.5 | -156.6 | 148.2 | -114.4 | 0 | 0 | 113.9 | ||||
| 568 | G | 30 | Very low | 32.8 | Very low | 60 Ų | 60 | 137.7 Ų | 137.7 | 62% | 0.619 | 78% | 0.777 | S | S | * | * | trans | -146.9 | 164 | 151.2 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 569 | P | 46.1 | Very low | 32.3 | Very low | 104 Ų | 104 | 130.2 Ų | 130.2 | 68% | 0.675 | 77% | 0.771 | S | S | * | * | -162.1 | 165.4 | 98.5 | 41 | -22.4 | 0 | 0 | 0 | 118.4 | |||||
| 570 | R | 33 | Very low | 32.3 | Very low | 227 Ų | 227 | 134.9 Ų | 134.9 | 86% | 0.857 | 78% | 0.783 | S | S | * | * | trans | 65.8 | 156.8 | 145.9 | -69.5 | 158.3 | -165.5 | -174.4 | 2.2 | 117.1 | ||||
| 571 | T | 27.8 | Very low | 32.2 | Very low | 135 Ų | 135 | 132.6 Ų | 132.6 | 83% | 0.828 | 79% | 0.785 | S | S | * | * | cis | -156.5 | 158.7 | -5.7 | 6.6 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 572 | G | 29 | Very low | 32.3 | Very low | 61 Ų | 61 | 132.1 Ų | 132.1 | 63% | 0.629 | 78% | 0.781 | S | S | * | * | cis | 141.3 | 152.6 | -1.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 573 | L | 34.3 | Very low | 33.1 | Very low | 167 Ų | 167 | 135 Ų | 135 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | trans | 69 | 150.8 | 170.4 | -59.3 | 169.7 | 0 | 0 | 0 | 116.9 | ||||
| 574 | E | 31.7 | Very low | 33 | Very low | 151 Ų | 151 | 132 Ų | 132 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | cis | -165.2 | 179.7 | -31.3 | -127.9 | -71.3 | 139.7 | 0 | 0 | 108.4 | ||||
| 575 | A | 32.8 | Very low | 32 | Very low | 84 Ų | 84 | 137.3 Ų | 137.3 | 69% | 0.694 | 78% | 0.784 | S | S | * | * | trans | 71.9 | 148.2 | 155.7 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 576 | S | 31.8 | Very low | 31.9 | Very low | 112 Ų | 112 | 142.9 Ų | 142.9 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | cis | -168.3 | 142.7 | -42.3 | -121.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 577 | G | 29.3 | Very low | 31.7 | Very low | 80 Ų | 80 | 142 Ų | 142 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | trans | 179.7 | 94.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 578 | R | 36.9 | Very low | 31.7 | Very low | 247 Ų | 247 | 139.4 Ų | 139.4 | 93% | 0.932 | 80% | 0.799 | S | S | * | * | trans | -116.1 | 149.3 | -175.8 | -70.6 | -175.5 | -179.6 | -93.1 | 7 | 113 | ||||
| 579 | G | 26.3 | Very low | 31.6 | Very low | 74 Ų | 74 | 148.5 Ų | 148.5 | 76% | 0.763 | 82% | 0.815 | S | S | * | * | trans | 160.4 | 148.4 | 143.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 580 | R | 33.4 | Very low | 30.6 | Very low | 240 Ų | 240 | 146.7 Ų | 146.7 | 91% | 0.906 | 82% | 0.816 | S | S | * | * | cis | -155.3 | 172.4 | -34.6 | -147.2 | -175.3 | -170 | -92.8 | 3.8 | 107.7 | ||||
| 581 | L | 31.1 | Very low | 30.4 | Very low | 159 Ų | 159 | 147.2 Ų | 147.2 | 83% | 0.832 | 82% | 0.817 | S | S | * | * | trans | -66.8 | 147.2 | 178.8 | -61.6 | 158.7 | 0 | 0 | 0 | 112.5 | ||||
| 582 | G | 33.8 | Very low | 30.3 | Very low | 74 Ų | 74 | 145 Ų | 145 | 76% | 0.763 | 81% | 0.812 | S | S | * | * | trans | -105.2 | -174.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 583 | P | 40.6 | Very low | 30.3 | Very low | 141 Ų | 141 | 149.7 Ų | 149.7 | 92% | 0.916 | 82% | 0.822 | S | S | * | * | trans | -119.6 | -171.5 | 176.3 | 40.2 | -27.2 | 0 | 0 | 0 | 114.5 | ||||
| 584 | S | 28 | Very low | 30.3 | Very low | 111 Ų | 111 | 149.5 Ų | 149.5 | 78% | 0.776 | 82% | 0.817 | S | S | * | * | trans | -127.1 | 178 | -163.8 | 179 | 0 | 0 | 0 | 0 | 114 | ||||
| 585 | R | 31.7 | Very low | 30.8 | Very low | 224 Ų | 224 | 148 Ų | 148 | 85% | 0.845 | 82% | 0.82 | S | S | * | * | trans | 86.4 | 149.9 | 177.8 | -50.5 | 168.8 | -173.9 | -95.4 | 2.1 | 113.8 | ||||
| 586 | R | 25.6 | Very low | 30.7 | Very low | 230 Ų | 230 | 146.8 Ų | 146.8 | 87% | 0.868 | 82% | 0.816 | S | S | * | * | cis | -142.8 | 164.2 | 17.3 | -165.8 | 179.5 | -66.3 | -119.1 | 4.2 | 112 | ||||
| 587 | C | 24.7 | Very low | 30.7 | Very low | 124 Ų | 124 | 150.1 Ų | 150.1 | 84% | 0.838 | 82% | 0.824 | S | S | * | * | trans | -104.9 | 170.4 | -171 | 26.5 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 588 | S | 28.4 | Very low | 30.8 | Very low | 122 Ų | 122 | 151.1 Ų | 151.1 | 85% | 0.853 | 83% | 0.825 | S | S | * | * | trans | -144.1 | 158.3 | 150.8 | 64.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 589 | R | 26.1 | Very low | 30.4 | Very low | 251 Ų | 251 | 145 Ų | 145 | 95% | 0.947 | 82% | 0.82 | S | S | * | * | trans | -69.1 | 168.2 | -173.4 | -60.6 | 159.1 | 167.7 | 179.1 | -7.1 | 112.8 | ||||
| 590 | G | 26.6 | Very low | 30.5 | Very low | 67 Ų | 67 | 147.1 Ų | 147.1 | 69% | 0.691 | 82% | 0.822 | S | S | * | * | cis | 147.2 | 160.3 | -3.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 591 | R | 27.9 | Very low | 30.5 | Very low | 237 Ų | 237 | 144.1 Ų | 144.1 | 89% | 0.894 | 82% | 0.823 | S | S | * | * | trans | 67.6 | 136 | -167.4 | -66 | -174.9 | 170.7 | -138 | -1.3 | 114 | ||||
| 592 | A | 25.7 | Very low | 30.5 | Very low | 88 Ų | 88 | 141 Ų | 141 | 73% | 0.727 | 81% | 0.814 | S | S | * | * | cis | 88.7 | 116.8 | 13.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 593 | L | 28.7 | Very low | 30.7 | Very low | 160 Ų | 160 | 143.4 Ų | 143.4 | 84% | 0.838 | 82% | 0.816 | S | S | * | * | -174.3 | 118.6 | 129.9 | -99.8 | 162.8 | 0 | 0 | 0 | 111.9 | |||||
| 594 | E | 35.7 | Very low | 30.2 | Very low | 163 Ų | 163 | 146 Ų | 146 | 76% | 0.762 | 81% | 0.813 | S | S | * | * | trans | -81 | 149.4 | 146.6 | -93.6 | -70.7 | 149.5 | 0 | 0 | 107.2 | G596 | E594-G596 PolarHBondContact OE2-N 2.91Š| ||
| 595 | P | 41.2 | Very low | 30.4 | Very low | 119 Ų | 119 | 146.1 Ų | 146.1 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | -150.6 | 147.2 | 83.2 | 38.5 | -20.2 | 0 | 0 | 0 | 117 | |||||
| 596 | G | 31.8 | Very low | 30.6 | Very low | 59 Ų | 59 | 143.4 Ų | 143.4 | 61% | 0.608 | 81% | 0.814 | S | S | * | * | trans | -75.4 | 164.9 | 160.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | E594 | E594-G596 PolarHBondContact OE2-N 2.91Š| ||
| 597 | L | 30.8 | Very low | 30.9 | Very low | 182 Ų | 182 | 140.7 Ų | 140.7 | 95% | 0.953 | 81% | 0.812 | S | S | * | * | trans | -130.1 | 140.3 | 163.1 | -77.1 | 175.5 | 0 | 0 | 0 | 109.1 | ||||
| 598 | A | 32 | Very low | 31.4 | Very low | 101 Ų | 101 | 141.7 Ų | 141.7 | 84% | 0.835 | 81% | 0.807 | S | S | * | * | trans | -104.7 | 145.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 599 | S | 27.4 | Very low | 31.5 | Very low | 120 Ų | 120 | 140.2 Ų | 140.2 | 84% | 0.839 | 80% | 0.797 | S | S | * | * | trans | -152.8 | 141 | 158.4 | -168.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 600 | C | 29.8 | Very low | 32 | Very low | 117 Ų | 117 | 135.7 Ų | 135.7 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | trans | -105.8 | 137.2 | -176.4 | -49.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 601 | L | 32.8 | Very low | 32.4 | Very low | 178 Ų | 178 | 140.6 Ų | 140.6 | 93% | 0.932 | 80% | 0.795 | S | S | * | * | trans | -141.4 | 150.8 | 157.1 | -76.7 | -177.6 | 0 | 0 | 0 | 109.8 | ||||
| 602 | S | 30.7 | Very low | 32.7 | Very low | 93 Ų | 93 | 140 Ų | 140 | 65% | 0.65 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 155.7 | -177 | 87.6 | 0 | 0 | 0 | 0 | 112 | K604 | S602-K604 PolarHBondContact O-N 3.47Š|
| 603 | P | 38.9 | Very low | 33.2 | Very low | 124 Ų | 124 | 143 Ų | 143 | 81% | 0.805 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 131.1 | 151 | 30 | -31.5 | 0 | 0 | 0 | 108.3 | ||
| 604 | K | 29.8 | Very low | 33.7 | Very low | 195 Ų | 195 | 139.3 Ų | 139.3 | 85% | 0.848 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 167.5 | 158.7 | -79.8 | -176.9 | 174.2 | -178.8 | 0 | 108.7 | S602 L606 | S602-K604 PolarHBondContact O-N 3.47Å; K604-L606 PolarHBondContact O-N 3Å |
| 605 | C | 31.6 | Very low | 33.9 | Very low | 115 Ų | 115 | 140.7 Ų | 140.7 | 78% | 0.777 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 133.2 | 172.9 | -46.2 | 0 | 0 | 0 | 0 | 111.3 | ||
| 606 | L | 35.9 | Very low | 33.8 | Very low | 167 Ų | 167 | 141.8 Ų | 141.8 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | trans | -103.2 | 86.6 | 148.8 | -88.9 | 169.5 | 0 | 0 | 0 | 106.7 | K604 I608 | K604-L606 PolarHBondContact O-N 3Å; L606-I608 PolarHBondContact O-N 3.42Å | ||
| 607 | E | 31.7 | Very low | 34.4 | Very low | 173 Ų | 173 | 148.4 Ų | 148.4 | 81% | 0.808 | 81% | 0.806 | S | S | * | * | trans | -73.4 | 104.9 | 169.3 | -174.9 | 164.9 | -140.7 | 0 | 0 | 106.8 | S609 | E607-S609 PolarHBondContact O-N 3.28Š| ||
| 608 | I | 36.2 | Very low | 34.6 | Very low | 144 Ų | 144 | 147.9 Ų | 147.9 | 74% | 0.738 | 80% | 0.799 | S | S | * | * | trans | -88 | 99.3 | 176.3 | -55.2 | 178.2 | 0 | 0 | 0 | 106.9 | L606 I610 | L606-I608 PolarHBondContact O-N 3.42Å; I608-I610 PolarHBondContact O-N 3.14Å | ||
| 609 | S | 30.8 | Very low | 34.7 | Very low | 92 Ų | 92 | 151.7 Ų | 151.7 | 64% | 0.643 | 80% | 0.8 | S | S | * | * | trans | -58.9 | 108.9 | 167.4 | -55.7 | 0 | 0 | 0 | 0 | 109.1 | E607 | E607-S609 PolarHBondContact O-N 3.28Š| ||
| 610 | I | 36.3 | Very low | 35 | Very low | 156 Ų | 156 | 150.8 Ų | 150.8 | 80% | 0.8 | 80% | 0.799 | S | S | * | * | trans | -90.7 | 96.1 | 159.8 | -50.2 | 178.9 | 0 | 0 | 0 | 104.7 | I608 Y612 | I608-I610 PolarHBondContact O-N 3.14Å; I610-Y612 PolarHBondContact O-N 3.45Å | ||
| 611 | E | 34.8 | Very low | 34.9 | Very low | 170 Ų | 170 | 149.2 Ų | 149.2 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | trans | -67.4 | 133.3 | -179.3 | -68.2 | 179.6 | 155.6 | 0 | 0 | 109.6 | D613 | E611-D613 PolarHBondContact O-N 2.92Š| ||
| 612 | Y | 33.1 | Very low | 34.6 | Very low | 223 Ų | 223 | 147.1 Ų | 147.1 | 88% | 0.875 | 80% | 0.803 | S | S | * | * | trans | -83.7 | 98.5 | 179.8 | -138.8 | -91.8 | 0 | 0 | 0 | 107 | I610 | I610-Y612 PolarHBondContact O-N 3.45Š| ||
| 613 | D | 37.5 | Very low | 34.5 | Very low | 153 Ų | 153 | 146.1 Ų | 146.1 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | -95 | 126.3 | 176.5 | -147.7 | -3.8 | 0 | 0 | 0 | 109.2 | E611 | E611-D613 PolarHBondContact O-N 2.92Š| ||
| 614 | S | 38.3 | Very low | 34 | Very low | 81 Ų | 81 | 143.9 Ų | 143.9 | 57% | 0.566 | 81% | 0.807 | S | S | * | * | trans | -136 | 96.9 | -169.4 | -66.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 615 | E | 40.7 | Very low | 34.1 | Very low | 192 Ų | 192 | 142.2 Ų | 142.2 | 90% | 0.897 | 81% | 0.806 | S | S | * | * | trans | -103.6 | 101.3 | 168.1 | -65.8 | -165.7 | 134.8 | 0 | 0 | 109.7 | ||||
| 616 | D | 39.1 | Very low | 33.8 | Very low | 142 Ų | 142 | 141.8 Ų | 141.8 | 76% | 0.759 | 80% | 0.804 | S | S | * | * | trans | -84.1 | 125.8 | 162.6 | -84.3 | -60.1 | 0 | 0 | 0 | 109.6 | ||||
| 617 | E | 44.9 | Very low | 33.6 | Very low | 199 Ų | 199 | 142 Ų | 142 | 93% | 0.93 | 80% | 0.804 | S | S | * | * | trans | -144.2 | 158.9 | 145.9 | -83.2 | -140.6 | 132.2 | 0 | 0 | 110.2 | ||||
| 618 | Q | 35 | Very low | 33.4 | Very low | 170 Ų | 170 | 139.2 Ų | 139.2 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | trans | -123.1 | 171.3 | -157.9 | -61.4 | -176.8 | 3.1 | 0 | 0 | 114.7 | ||||
| 619 | E | 33.3 | Very low | 32.9 | Very low | 182 Ų | 182 | 137.9 Ų | 137.9 | 85% | 0.85 | 80% | 0.802 | S | S | * | * | trans | 76.9 | 123.6 | 159.1 | -63.4 | -152.1 | 119.9 | 0 | 0 | 122 | ||||
| 620 | A | 33.9 | Very low | 32.7 | Very low | 101 Ų | 101 | 139 Ų | 139 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | trans | 52.9 | 107.9 | 132.8 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 621 | G | 27.6 | Very low | 32.3 | Very low | 84 Ų | 84 | 136.5 Ų | 136.5 | 87% | 0.866 | 81% | 0.806 | S | S | * | * | trans | -156.1 | 112.7 | 161.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 622 | S | 26.8 | Very low | 32 | Very low | 134 Ų | 134 | 138.8 Ų | 138.8 | 94% | 0.937 | 81% | 0.808 | S | S | * | * | trans | -105.4 | 129.7 | 176.4 | -177.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 623 | G | 29 | Very low | 32.2 | Very low | 72 Ų | 72 | 134.3 Ų | 134.3 | 74% | 0.742 | 81% | 0.807 | S | S | * | * | trans | 177.2 | 133.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 624 | G | 28.5 | Very low | 31.8 | Very low | 76 Ų | 76 | 130.6 Ų | 130.6 | 78% | 0.784 | 81% | 0.805 | S | S | * | * | trans | -93 | -156.2 | 166.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 625 | I | 31.1 | Very low | 31.5 | Very low | 161 Ų | 161 | 135.2 Ų | 135.2 | 83% | 0.826 | 82% | 0.823 | S | S | * | * | cis | -158.5 | 159.2 | 11.2 | -32.8 | 171.7 | 0 | 0 | 0 | 108.8 | ||||
| 626 | S | 25.3 | Very low | 31 | Very low | 106 Ų | 106 | 129.9 Ų | 129.9 | 74% | 0.741 | 82% | 0.819 | S | S | * | * | trans | 77.4 | 152.1 | 167.4 | -45.9 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 627 | I | 31.7 | Very low | 30.7 | Very low | 171 Ų | 171 | 132.2 Ų | 132.2 | 88% | 0.877 | 83% | 0.825 | S | S | * | * | cis | -125.8 | 166.1 | 39 | -68 | 161.4 | 0 | 0 | 0 | 112.9 | ||||
| 628 | T | 28.3 | Very low | 29.9 | Very low | 115 Ų | 115 | 126.9 Ų | 126.9 | 71% | 0.706 | 82% | 0.815 | S | S | * | * | trans | -107.6 | 157.6 | -169.6 | 51.6 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 629 | S | 25.1 | Very low | 29.7 | Very low | 115 Ų | 115 | 130.6 Ų | 130.6 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | trans | 74.7 | 159.9 | 160.9 | 84.2 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 630 | S | 26.4 | Very low | 29.6 | Very low | 117 Ų | 117 | 125.3 Ų | 125.3 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | cis | -147.6 | 176.6 | 7.5 | -154.6 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 631 | C | 27.3 | Very low | 29.4 | Very low | 103 Ų | 103 | 127.4 Ų | 127.4 | 70% | 0.696 | 82% | 0.819 | S | S | * | * | trans | -79.8 | 155.7 | -162 | -68.1 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 632 | Y | 28.4 | Very low | 29.4 | Very low | 218 Ų | 218 | 127.9 Ų | 127.9 | 86% | 0.855 | 82% | 0.815 | S | S | * | * | trans | 25.4 | 137.9 | 141.5 | -65.3 | -78.7 | 0 | 0 | 0 | 122.6 | ||||
| 633 | P | 37.6 | Very low | 29.6 | Very low | 129 Ų | 129 | 127.8 Ų | 127.8 | 84% | 0.838 | 81% | 0.809 | S | S | * | * | trans | -81.6 | 163.4 | 157.6 | 36.9 | -34.2 | 0 | 0 | 0 | 112.3 | ||||
| 634 | G | 29.5 | Very low | 29.8 | Very low | 75 Ų | 75 | 131.5 Ų | 131.5 | 77% | 0.773 | 82% | 0.817 | S | S | * | * | trans | -156.9 | 144 | 171 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 635 | D | 32.9 | Very low | 29.8 | Very low | 178 Ų | 178 | 131.5 Ų | 131.5 | 95% | 0.952 | 82% | 0.817 | S | S | * | * | trans | -87.3 | 154.8 | -176.6 | -60.8 | -64 | 0 | 0 | 0 | 113.2 | ||||
| 636 | G | 29.9 | Very low | 29.8 | Very low | 79 Ų | 79 | 135 Ų | 135 | 81% | 0.814 | 82% | 0.82 | S | S | * | * | trans | 172.1 | 114.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 637 | E | 31.4 | Very low | 30.1 | Very low | 191 Ų | 191 | 134.2 Ų | 134.2 | 89% | 0.893 | 81% | 0.814 | S | S | * | * | trans | -78.1 | 152.4 | -172.5 | -55.7 | 160.9 | 101.1 | 0 | 0 | 114.7 | ||||
| 638 | A | 29.7 | Very low | 30 | Very low | 87 Ų | 87 | 138.1 Ų | 138.1 | 72% | 0.719 | 82% | 0.818 | S | S | * | * | 168.5 | 114.5 | 119.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 639 | W | 30.8 | Very low | 30 | Very low | 248 Ų | 248 | 136 Ų | 136 | 94% | 0.939 | 82% | 0.819 | S | S | * | * | trans | 34.2 | 118.8 | 140.1 | -60.8 | 87.4 | 0 | 0 | 0 | 124.5 | ||||
| 640 | G | 30.3 | Very low | 31.1 | Very low | 72 Ų | 72 | 136.5 Ų | 136.5 | 74% | 0.742 | 82% | 0.82 | S | S | * | * | trans | 75.5 | 160.6 | 136.1 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 641 | T | 30 | Very low | 32.4 | Very low | 144 Ų | 144 | 136.2 Ų | 136.2 | 88% | 0.883 | 82% | 0.815 | S | S | * | * | cis | -158.4 | 162.6 | -4.9 | -49.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 642 | A | 27.7 | Very low | 32.5 | Very low | 95 Ų | 95 | 140.9 Ų | 140.9 | 79% | 0.785 | 82% | 0.823 | S | S | * | * | trans | -125.4 | 97.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 643 | T | 30.1 | Very low | 32.6 | Very low | 131 Ų | 131 | 134 Ų | 134 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -154.1 | 131.4 | 148.9 | 29.5 | 0 | 0 | 0 | 0 | 110.6 | ||
| 644 | V | 33.7 | Very low | 32.1 | Very low | 151 Ų | 151 | 135.2 Ų | 135.2 | 92% | 0.915 | 81% | 0.811 | S | S | * | * | trans | 43.7 | 115.8 | 158.1 | -170.3 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 645 | G | 29.4 | Very low | 32.2 | Very low | 76 Ų | 76 | 137.1 Ų | 137.1 | 78% | 0.784 | 81% | 0.812 | S | S | * | * | trans | -170 | 10.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 646 | R | 30.1 | Very low | 31.9 | Very low | 235 Ų | 235 | 132.1 Ų | 132.1 | 89% | 0.887 | 80% | 0.803 | S | S | * | * | trans | 29.7 | 123.7 | 164.7 | -141.8 | -162.3 | -168.4 | -145 | 6.2 | 122.7 | ||||
| 647 | S | 31.2 | Very low | 32.9 | Very low | 88 Ų | 88 | 134.8 Ų | 134.8 | 62% | 0.615 | 81% | 0.806 | S | S | * | * | trans | 80.2 | 130.5 | 136.7 | 53.5 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 648 | R | 30.7 | Very low | 33.1 | Very low | 254 Ų | 254 | 133.6 Ų | 133.6 | 96% | 0.958 | 80% | 0.798 | S | S | * | * | trans | 59.8 | 141.8 | 155.6 | -66.9 | -178.2 | 172 | -162.2 | -2.1 | 117.3 | ||||
| 649 | G | 28 | Very low | 34.1 | Very low | 71 Ų | 71 | 135.5 Ų | 135.5 | 73% | 0.732 | 80% | 0.802 | S | S | * | * | cis | 167.9 | 175.6 | 10.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 650 | P | 47.7 | Very low | 33.9 | Very low | 125 Ų | 125 | 132.6 Ų | 132.6 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | trans | -123.1 | -158.4 | -159.5 | 38.3 | -20.6 | 0 | 0 | 0 | 113.9 | ||||
| 651 | P | 55.1 | Low | 35 | Very low | 110 Ų | 110 | 134.9 Ų | 134.9 | 71% | 0.714 | 79% | 0.794 | S | S | * | * | -130.2 | -155.6 | -64.8 | 39.3 | -21.5 | 0 | 0 | 0 | 112.4 | |||||
| 652 | K | 27.8 | Very low | 34.8 | Very low | 202 Ų | 202 | 137.5 Ų | 137.5 | 88% | 0.878 | 79% | 0.788 | S | S | * | * | trans | 107.5 | 158.6 | 161.6 | -65.4 | -179 | 175.7 | -179.9 | 0 | 117.5 | ||||
| 653 | A | 30.9 | Very low | 34.8 | Very low | 72 Ų | 72 | 139.5 Ų | 139.5 | 60% | 0.595 | 79% | 0.785 | S | S | * | * | cis | -178.8 | 152.5 | -32.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 654 | N | 28.2 | Very low | 35.7 | Very low | 155 Ų | 155 | 139.3 Ų | 139.3 | 83% | 0.829 | 79% | 0.786 | S | S | * | * | trans | 66.9 | 160.4 | 154.6 | -55.8 | -11.3 | 0 | 0 | 0 | 118.4 | ||||
| 655 | S | 29.8 | Very low | 35.6 | Very low | 116 Ų | 116 | 136.7 Ų | 136.7 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | cis | -154.6 | 172.5 | 3.7 | 5.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 656 | G | 27.4 | Very low | 35.3 | Very low | 73 Ų | 73 | 143.7 Ų | 143.7 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | trans | -84.3 | -146.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 657 | P | 51.8 | Low | 35.2 | Very low | 134 Ų | 134 | 140.3 Ų | 140.3 | 87% | 0.87 | 78% | 0.777 | S | S | * | * | cis | -138.8 | -162 | 20.3 | 43.2 | -22.8 | 0 | 0 | 0 | 117.1 | ||||
| 658 | K | 35.6 | Very low | 35 | Very low | 167 Ų | 167 | 145.9 Ų | 145.9 | 73% | 0.726 | 79% | 0.79 | S | S | * | * | trans | -105.5 | 177.2 | 176.9 | -62.2 | -177.8 | 176.6 | -179.5 | 0 | 113.5 | ||||
| 659 | P | 50.8 | Low | 34.7 | Very low | 126 Ų | 126 | 137.7 Ų | 137.7 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | -149.6 | -170 | 100.9 | 39.1 | -20.3 | 0 | 0 | 0 | 118.1 | |||||
| 660 | Y | 24.7 | Very low | 34.5 | Very low | 188 Ų | 188 | 143.3 Ų | 143.3 | 74% | 0.737 | 79% | 0.792 | S | S | * | * | trans | -95.6 | -165.8 | -178.2 | -77.3 | -86.6 | 0 | 0 | 0 | 112.7 | ||||
| 661 | P | 53.4 | Low | 34.9 | Very low | 119 Ų | 119 | 142.1 Ų | 142.1 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | cis | -124.4 | -170.4 | 0.4 | 42.9 | -25.2 | 0 | 0 | 0 | 114.5 | ||||
| 662 | R | 26.9 | Very low | 33.6 | Very low | 199 Ų | 199 | 145.6 Ų | 145.6 | 75% | 0.751 | 79% | 0.791 | S | S | * | * | cis | 110.6 | 127.4 | -3.2 | -145.1 | -160.9 | -168.9 | -102.4 | 3.5 | 118.1 | ||||
| 663 | L | 27.3 | Very low | 33.7 | Very low | 138 Ų | 138 | 146.6 Ų | 146.6 | 72% | 0.723 | 79% | 0.79 | S | S | * | * | trans | 74.2 | 162.1 | 169.2 | -64.5 | 174.4 | 0 | 0 | 0 | 119.1 | ||||
| 664 | P | 49.6 | Very low | 33.5 | Very low | 126 Ų | 126 | 155.2 Ų | 155.2 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | cis | -128.7 | -162.4 | -37.7 | 37.9 | -19.9 | 0 | 0 | 0 | 112.7 | ||||
| 665 | A | 30.5 | Very low | 33.5 | Very low | 97 Ų | 97 | 150.8 Ų | 150.8 | 80% | 0.802 | 80% | 0.798 | S | S | * | * | trans | -129.4 | 157.1 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 666 | W | 24.6 | Very low | 33.5 | Very low | 222 Ų | 222 | 157 Ų | 157 | 84% | 0.841 | 80% | 0.803 | S | S | * | * | trans | -164.7 | 145.1 | 153.9 | 67.7 | -62.1 | 0 | 0 | 0 | 114.6 | ||||
| 667 | E | 26.6 | Very low | 33.7 | Very low | 165 Ų | 165 | 158.4 Ų | 158.4 | 77% | 0.771 | 80% | 0.802 | S | S | * | * | trans | 53.7 | 178.4 | 153.2 | -63.3 | -149.6 | 94.5 | 0 | 0 | 124.6 | ||||
| 668 | K | 27.6 | Very low | 32.8 | Very low | 204 Ų | 204 | 155.9 Ų | 155.9 | 89% | 0.887 | 79% | 0.792 | S | S | * | * | trans | -101.8 | 153 | -149.9 | -57.9 | 175.6 | -179.7 | 175.2 | 0 | 114.4 | ||||
| 669 | G | 24 | Very low | 32.6 | Very low | 82 Ų | 82 | 155 Ų | 155 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | trans | 176.7 | 102 | 162.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 670 | E | 23.8 | Very low | 31.5 | Very low | 189 Ų | 189 | 152.6 Ų | 152.6 | 88% | 0.883 | 80% | 0.799 | S | S | * | * | trans | -102.8 | 171.6 | 155.8 | -115.8 | -159.7 | 171 | 0 | 0 | 108.5 | ||||
| 671 | P | 56.1 | Low | 31.7 | Very low | 101 Ų | 101 | 155.7 Ų | 155.7 | 66% | 0.656 | 81% | 0.809 | S | S | * | * | cis | -131.8 | -176 | -20 | 39.2 | -23.5 | 0 | 0 | 0 | 112.3 | ||||
| 672 | E | 27.3 | Very low | 30.5 | Very low | 182 Ų | 182 | 154.4 Ų | 154.4 | 85% | 0.85 | 81% | 0.809 | S | S | * | * | trans | -178.6 | 170.5 | 132.4 | -101.9 | -113.2 | 68.2 | 0 | 0 | 114.8 | ||||
| 673 | R | 30.8 | Very low | 30.6 | Very low | 223 Ų | 223 | 153.5 Ų | 153.5 | 84% | 0.842 | 81% | 0.81 | S | S | * | * | trans | -111.1 | 153.4 | -164.1 | -69.8 | 173.1 | 166 | -100.3 | 3.4 | 115.6 | ||||
| 674 | R | 26.8 | Very low | 30.5 | Very low | 254 Ų | 254 | 154.1 Ų | 154.1 | 96% | 0.958 | 81% | 0.809 | S | S | * | * | trans | -162.5 | 131.7 | 148.4 | -151.9 | 174.3 | -62.4 | -130.5 | -1.1 | 110.4 | ||||
| 675 | G | 28.4 | Very low | 30.2 | Very low | 62 Ų | 62 | 153.9 Ų | 153.9 | 64% | 0.639 | 81% | 0.808 | S | S | * | * | cis | 159.5 | 145.1 | -13.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 676 | R | 29 | Very low | 29.9 | Very low | 246 Ų | 246 | 156.7 Ų | 156.7 | 93% | 0.928 | 81% | 0.808 | S | S | * | * | trans | 70.8 | 162.4 | 169.9 | -60.3 | 177 | -174.6 | -90.4 | -0.6 | 117.3 | ||||
| 677 | S | 31.2 | Very low | 30.1 | Very low | 102 Ų | 102 | 151.4 Ų | 151.4 | 71% | 0.713 | 81% | 0.806 | S | S | * | * | cis | 177.4 | 152.7 | -40.2 | 57.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 678 | A | 34.3 | Very low | 30.1 | Very low | 82 Ų | 82 | 155 Ų | 155 | 68% | 0.678 | 81% | 0.812 | S | S | * | * | cis | -177.7 | -172.8 | -18.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 679 | T | 30.8 | Very low | 30.1 | Very low | 149 Ų | 149 | 148.1 Ų | 148.1 | 91% | 0.914 | 79% | 0.793 | S | S | * | * | trans | 83.7 | 140.9 | 165.2 | 78.4 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 680 | G | 28.6 | Very low | 30.2 | Very low | 74 Ų | 74 | 149.7 Ų | 149.7 | 76% | 0.763 | 79% | 0.786 | S | S | * | * | cis | 173.7 | 169.7 | -11.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 681 | R | 28.2 | Very low | 30.4 | Very low | 254 Ų | 254 | 146.8 Ų | 146.8 | 96% | 0.958 | 77% | 0.773 | S | S | * | * | trans | 75.1 | 109 | 169.2 | -81.2 | -170.4 | 168.5 | -150.5 | -2.2 | 122.4 | ||||
| 682 | A | 27.6 | Very low | 28.9 | Very low | 92 Ų | 92 | 147.3 Ų | 147.3 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | 66.9 | 107.8 | 117.1 | 0 | 0 | 0 | 0 | 0 | 124.6 | |||||
| 683 | K | 29.2 | Very low | 29.1 | Very low | 180 Ų | 180 | 141.8 Ų | 141.8 | 78% | 0.783 | 77% | 0.766 | S | S | * | * | trans | 48.8 | 125.9 | 134.8 | -86.4 | -174.5 | 157.1 | -122.2 | 0 | 124.2 | ||||
| 684 | E | 24.6 | Very low | 29.1 | Very low | 150 Ų | 150 | 140.6 Ų | 140.6 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | trans | 70.8 | 155.7 | 140.5 | -73.3 | 179.2 | 91.4 | 0 | 0 | 120.5 | ||||
| 685 | P | 43.9 | Very low | 29.1 | Very low | 121 Ų | 121 | 132.7 Ų | 132.7 | 79% | 0.786 | 76% | 0.759 | S | S | * | * | cis | -133.8 | -168.1 | -16.1 | 33.8 | -11.6 | 0 | 0 | 0 | 115.9 | ||||
| 686 | L | 24.8 | Very low | 29.2 | Very low | 156 Ų | 156 | 141.6 Ų | 141.6 | 82% | 0.817 | 77% | 0.773 | S | S | * | * | trans | -59.7 | 144.1 | -177.7 | 173.8 | 70.8 | 0 | 0 | 0 | 118.7 | ||||
| 687 | S | 27.4 | Very low | 29.7 | Very low | 112 Ų | 112 | 132.8 Ų | 132.8 | 78% | 0.783 | 76% | 0.76 | S | S | * | * | trans | 175.6 | 117.1 | 130.2 | -81.7 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 688 | R | 27.2 | Very low | 29.8 | Very low | 240 Ų | 240 | 137.1 Ų | 137.1 | 91% | 0.906 | 77% | 0.769 | S | S | * | * | trans | 12.7 | 131.9 | 135.8 | -176.3 | -168.9 | -65.5 | 169.6 | -1.5 | 121.9 | ||||
| 689 | A | 27.2 | Very low | 29.6 | Very low | 60 Ų | 60 | 140.9 Ų | 140.9 | 50% | 0.496 | 78% | 0.777 | S | S | . | * | 172.9 | 160.6 | 122.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 690 | T | 27.6 | Very low | 29.7 | Very low | 114 Ų | 114 | 137.6 Ų | 137.6 | 70% | 0.699 | 77% | 0.773 | S | S | * | * | trans | -112.5 | -170.9 | -170.9 | -5.2 | 0 | 0 | 0 | 0 | 114.4 | R715 | T690-R715 PolarHBondContact O-NH1 2.81Š| ||
| 691 | E | 26.8 | Very low | 29.8 | Very low | 128 Ų | 128 | 140 Ų | 140 | 60% | 0.598 | 78% | 0.778 | S | S | * | * | trans | 77.6 | 144.7 | 167.2 | -56.1 | -177.1 | 119.6 | 0 | 0 | 116.9 | R715 | E691-R715 IonicContact OE2-NH1 3.55Š| ||
| 692 | T | 26 | Very low | 29.8 | Very low | 113 Ų | 113 | 131.4 Ų | 131.4 | 69% | 0.693 | 77% | 0.768 | S | S | * | * | cis | -154.6 | -175 | -6.2 | 9.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 693 | G | 29.7 | Very low | 30 | Very low | 66 Ų | 66 | 137.8 Ų | 137.8 | 68% | 0.68 | 77% | 0.773 | S | S | * | * | trans | -91.4 | -150.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 694 | E | 31 | Very low | 30 | Very low | 198 Ų | 198 | 139.5 Ų | 139.5 | 93% | 0.925 | 77% | 0.774 | S | S | * | * | trans | 79.2 | 157.2 | -170.1 | -57.2 | -148.4 | 99.6 | 0 | 0 | 115.1 | ||||
| 695 | A | 27.6 | Very low | 30.1 | Very low | 87 Ų | 87 | 135.7 Ų | 135.7 | 72% | 0.719 | 78% | 0.775 | S | S | * | * | cis | -144 | 148.7 | 15.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 696 | R | 31.3 | Very low | 30 | Very low | 249 Ų | 249 | 135.2 Ų | 135.2 | 94% | 0.94 | 77% | 0.772 | S | S | * | * | trans | -67 | 135.4 | 148.7 | 174.1 | -164.5 | -162.7 | -178.7 | 6.9 | 107.8 | ||||
| 697 | G | 38.6 | Very low | 30.2 | Very low | 62 Ų | 62 | 134.9 Ų | 134.9 | 64% | 0.639 | 77% | 0.766 | S | S | * | * | cis | 156.4 | 154.4 | 4.3 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 698 | Q | 32.7 | Very low | 30.4 | Very low | 193 Ų | 193 | 137.1 Ų | 137.1 | 90% | 0.902 | 76% | 0.762 | S | S | * | * | trans | -161.4 | 142.1 | 175 | -139.9 | 158.5 | 106.2 | 0 | 0 | 115.7 | ||||
| 699 | D | 31.1 | Very low | 30.4 | Very low | 161 Ų | 161 | 137.3 Ų | 137.3 | 86% | 0.861 | 76% | 0.763 | S | S | * | * | trans | -81.7 | 169.2 | 172 | -53.5 | -82.1 | 0 | 0 | 0 | 112.8 | ||||
| 700 | G | 32 | Very low | 30.4 | Very low | 79 Ų | 79 | 137.7 Ų | 137.7 | 81% | 0.814 | 77% | 0.772 | S | S | * | * | trans | -111.4 | 117.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 701 | S | 31.8 | Very low | 30.4 | Very low | 124 Ų | 124 | 138.8 Ų | 138.8 | 87% | 0.867 | 78% | 0.779 | S | S | * | * | trans | -167.7 | 86.6 | 133.2 | 63.6 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 702 | G | 28.6 | Very low | 30.3 | Very low | 74 Ų | 74 | 143 Ų | 143 | 76% | 0.763 | 79% | 0.789 | S | S | * | * | trans | 37.5 | 125.3 | 145.6 | 0 | 0 | 0 | 0 | 0 | 124 | ||||
| 703 | R | 32.1 | Very low | 30.4 | Very low | 227 Ų | 227 | 143.7 Ų | 143.7 | 86% | 0.857 | 79% | 0.793 | S | S | * | * | -161.2 | 162.1 | 122.2 | -108 | 166.7 | -168.6 | -125.7 | 1.9 | 113.2 | |||||
| 704 | R | 27.2 | Very low | 30.1 | Very low | 215 Ų | 215 | 148.2 Ų | 148.2 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | trans | -35.1 | 139.8 | -175.1 | -53.6 | 170.5 | -132.8 | -116 | -0.8 | 117.1 | ||||
| 705 | G | 27.9 | Very low | 29.8 | Very low | 70 Ų | 70 | 145.9 Ų | 145.9 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | trans | -88.2 | -145.6 | 156.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 706 | P | 41.3 | Very low | 30.1 | Very low | 112 Ų | 112 | 146.4 Ų | 146.4 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | cis | -142.4 | -169.7 | 1.6 | 42.3 | -22.9 | 0 | 0 | 0 | 115.9 | ||||
| 707 | Q | 29.3 | Very low | 30 | Very low | 148 Ų | 148 | 139.2 Ų | 139.2 | 69% | 0.692 | 77% | 0.767 | S | S | * | * | trans | 76.8 | 150.6 | 162.9 | -65.4 | -179.2 | 27.6 | 0 | 0 | 117.4 | ||||
| 708 | K | 31 | Very low | 29.7 | Very low | 160 Ų | 160 | 142 Ų | 142 | 70% | 0.696 | 77% | 0.772 | S | S | * | * | cis | -157.7 | 140.7 | 4 | -129.1 | 161.7 | -174.6 | 153.2 | 0 | 111.8 | ||||
| 709 | R | 27.6 | Very low | 29.6 | Very low | 244 Ų | 244 | 137.6 Ų | 137.6 | 92% | 0.921 | 77% | 0.769 | S | S | * | * | trans | 42.8 | 134.5 | 154.9 | -64.7 | 179.1 | 176.1 | -167.3 | -1.9 | 120.5 | ||||
| 710 | G | 26.9 | Very low | 29.5 | Very low | 67 Ų | 67 | 139.2 Ų | 139.2 | 69% | 0.691 | 77% | 0.771 | S | S | * | * | cis | 150.1 | -179.6 | -7.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 711 | V | 27.4 | Very low | 29.4 | Very low | 138 Ų | 138 | 143.6 Ų | 143.6 | 84% | 0.836 | 78% | 0.775 | S | S | * | * | trans | 79.2 | 127.8 | 169.3 | -174.8 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 712 | R | 25.9 | Very low | 29.1 | Very low | 216 Ų | 216 | 143.5 Ų | 143.5 | 82% | 0.815 | 77% | 0.769 | S | S | * | * | cis | -165.1 | 138.2 | -18.8 | -107.9 | -171.4 | -165.2 | -141.5 | 2.6 | 110.5 | ||||
| 713 | V | 27 | Very low | 29.2 | Very low | 127 Ų | 127 | 146 Ų | 146 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | trans | 64.8 | 156.7 | 139.3 | 175.3 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 714 | L | 25 | Very low | 29 | Very low | 161 Ų | 161 | 139.7 Ų | 139.7 | 84% | 0.843 | 77% | 0.768 | S | S | * | * | -166.7 | 164.5 | -63.8 | -135.2 | 74.6 | 0 | 0 | 0 | 109.7 | |||||
| 715 | R | 24.6 | Very low | 29 | Very low | 149 Ų | 149 | 140.7 Ų | 140.7 | 56% | 0.562 | 77% | 0.772 | S | S | * | * | trans | -124.1 | 159 | 174 | -95.1 | -91.1 | -177.3 | 101.7 | 7.1 | 111.9 | T690 E691 | T690-R715 PolarHBondContact O-NH1 2.81Å; E691-R715 IonicContact OE2-NH1 3.55Å | ||
| 716 | P | 33.7 | Very low | 29.1 | Very low | 98 Ų | 98 | 141.8 Ų | 141.8 | 64% | 0.636 | 77% | 0.769 | S | S | * | * | trans | -100.9 | -178.4 | 179.2 | 40 | -32.4 | 0 | 0 | 0 | 113.7 | ||||
| 717 | S | 28.2 | Very low | 28.9 | Very low | 98 Ų | 98 | 142.1 Ų | 142.1 | 69% | 0.685 | 77% | 0.771 | S | S | * | * | trans | -134.6 | 142.4 | -164.1 | -165.8 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 718 | T | 33.4 | Very low | 29 | Very low | 121 Ų | 121 | 139.3 Ų | 139.3 | 74% | 0.742 | 77% | 0.768 | S | S | * | * | trans | 28.1 | 130.5 | 146.4 | -41.7 | 0 | 0 | 0 | 0 | 124 | ||||
| 719 | A | 30.3 | Very low | 29.3 | Very low | 101 Ų | 101 | 138.4 Ų | 138.4 | 84% | 0.835 | 77% | 0.766 | S | S | * | * | trans | -156 | 168.5 | 148 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 720 | E | 28.3 | Very low | 29.8 | Very low | 195 Ų | 195 | 132.3 Ų | 132.3 | 91% | 0.911 | 76% | 0.756 | S | S | * | * | trans | -79 | 156.4 | -170.3 | -58.1 | 175 | 105.5 | 0 | 0 | 116 | ||||
| 721 | L | 30.1 | Very low | 30.5 | Very low | 171 Ų | 171 | 135.7 Ų | 135.7 | 90% | 0.895 | 76% | 0.757 | S | S | * | * | trans | -163.1 | 166.5 | 153.9 | -112.3 | -179.9 | 0 | 0 | 0 | 113.8 | ||||
| 722 | V | 25.3 | Very low | 31.5 | Very low | 122 Ų | 122 | 132 Ų | 132 | 74% | 0.739 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 142.6 | -175.4 | 178.6 | 0 | 0 | 0 | 0 | 112.9 | A724 | V722-A724 PolarHBondContact O-N 3.26Š|
| 723 | P | 30.5 | Very low | 32.6 | Very low | 125 Ų | 125 | 125 Ų | 125 | 81% | 0.812 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 122.9 | 171 | -17.4 | 31.9 | 0 | 0 | 0 | 113.1 | ||
| 724 | A | 27.4 | Very low | 33.7 | Very low | 95 Ų | 95 | 126 Ų | 126 | 79% | 0.785 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 159.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | V722 | V722-A724 PolarHBondContact O-N 3.26Š|
| 725 | R | 28.7 | Very low | 35.1 | Very low | 236 Ų | 236 | 127.3 Ų | 127.3 | 89% | 0.891 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 140.1 | 168 | -73 | 179.9 | 175.2 | 167.6 | -2.2 | 110.1 | ||
| 726 | S | 29.4 | Very low | 37.1 | Very low | 94 Ų | 94 | 123.5 Ų | 123.5 | 66% | 0.657 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 137.3 | -176.7 | 50.1 | 0 | 0 | 0 | 0 | 112.8 | S728 | S726-S728 PolarHBondContact O-N 3.14Š|
| 727 | P | 36.4 | Very low | 39 | Very low | 119 Ų | 119 | 121.7 Ų | 121.7 | 77% | 0.773 | 69% | 0.692 | S | S | * | * | trans | -71.5 | 112.6 | 171.7 | 29.8 | -32.9 | 0 | 0 | 0 | 109.5 | ||||
| 728 | S | 31.6 | Very low | 41.6 | Very low | 89 Ų | 89 | 119.8 Ų | 119.8 | 62% | 0.622 | 68% | 0.676 | S | S | * | * | trans | -145.5 | -12.4 | -178.8 | -61.5 | 0 | 0 | 0 | 0 | 115.1 | S726 | S726-S728 PolarHBondContact O-N 3.14Š| ||
| 729 | E | 37.8 | Very low | 44.3 | Very low | 141 Ų | 141 | 114.4 Ų | 114.4 | 66% | 0.659 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -85.5 | -26.3 | -176 | -67.5 | 169.7 | 146.1 | 0 | 0 | 112.9 | L731 A732 Y733 | E729-L731 PolarHBondContact O-N 3.19Å; E729-A732 WeakPolarHBondContact O-CB 3.41Å; E729-A732 PolarHBondContact O-N 3.37Å; E729-Y733 HydrophobicContact CB-CE2 4.33Å; E729-Y733 VanDerWaalsContact O-CD2 3.27Å; E729-Y733 WeakPolarHBondContact O-CD2 3.31Å; E729-Y733 WeakPolarHBondContact O-CE2 3.5Å |
| 730 | T | 37.9 | Very low | 47.2 | Very low | 115 Ų | 115 | 109.8 Ų | 109.8 | 71% | 0.706 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.8 | -19.7 | -173.7 | -29 | 0 | 0 | 0 | 0 | 114.5 | ||
| 731 | L | 42.4 | Very low | 50.3 | Low | 138 Ų | 138 | 100.7 Ų | 100.7 | 72% | 0.723 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | -12.6 | 177.4 | -68.8 | 178.6 | 0 | 0 | 0 | 114.1 | E729 Y733 | E729-L731 PolarHBondContact O-N 3.19Å; L731-Y733 VanDerWaalsContact C-N 3.35Å; L731-Y733 PolarHBondContact O-N 3Å |
| 732 | A | 47.6 | Very low | 53.4 | Low | 62 Ų | 62 | 92.8 Ų | 92.8 | 51% | 0.512 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -30.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113 | E729 L736 | E729-A732 WeakPolarHBondContact O-CB 3.41Å; E729-A732 PolarHBondContact O-N 3.37Å; A732-L736 WeakPolarHBondContact O-CD1 3.38Å |
| 733 | Y | 50.2 | Low | 56.6 | Low | 69 Ų | 69 | 87.1 Ų | 87.1 | 27% | 0.271 | 49% | 0.486 | S | S | . | . | G | 310 helix | trans | -86.5 | -11.2 | -167.7 | -58 | -75.5 | 0 | 0 | 0 | 115.2 | E729 L731 H735 L736 F774 Q784 | E729-Y733 HydrophobicContact CB-CE2 4.33Å; E729-Y733 VanDerWaalsContact O-CD2 3.27Å; E729-Y733 WeakPolarHBondContact O-CD2 3.31Å; E729-Y733 WeakPolarHBondContact O-CE2 3.5Å; L731-Y733 VanDerWaalsContact C-N 3.35Å; L731-Y733 PolarHBondContact O-N 3Å; Y733-H735 PolarHBondContact O-N 2.92Å; Y733-L736 HydrophobicContact CD1-CD1 4.35Å; Y733-L736 PolarHBondContact O-N 2.7Å; Y733-F774 HydrophobicContact CD1-CB 4.4Å; Y733-Q784 PolarHBondContact OH-OE1 3.48Å |
| 734 | Q | 50 | Low | 59.5 | Low | 146 Ų | 146 | 84.2 Ų | 84.2 | 68% | 0.682 | 46% | 0.463 | S | S | * | . | G | 310 helix | trans | -70.9 | 0 | -173.7 | -66 | -158.5 | 77.7 | 0 | 0 | 115.4 | ||
| 735 | H | 53.3 | Low | 62.6 | Low | 190 Ų | 190 | 84.7 Ų | 84.7 | 88% | 0.88 | 45% | 0.447 | S | S | * | . | G | 310 helix | trans | -127.5 | 6.1 | 178.2 | -83.8 | -65.2 | 0 | 0 | 0 | 114.9 | Y733 | Y733-H735 PolarHBondContact O-N 2.92Š|
| 736 | L | 66 | Low | 65.6 | Low | 69 Ų | 69 | 77.8 Ų | 77.8 | 36% | 0.361 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -84.2 | 149.4 | 170.8 | -74 | 94.5 | 0 | 0 | 0 | 110.8 | A732 Y733 V738 | A732-L736 WeakPolarHBondContact O-CD1 3.38Å; Y733-L736 HydrophobicContact CD1-CD1 4.35Å; Y733-L736 PolarHBondContact O-N 2.7Å; L736-V738 PolarHBondContact O-N 2.72Å |
| 737 | P | 73.8 | Confident | 68.6 | Low | 59 Ų | 59 | 74.2 Ų | 74.2 | 38% | 0.383 | 40% | 0.4 | S | S | . | . | trans | -62.5 | 134.2 | 173.6 | 26.2 | -33.1 | 0 | 0 | 0 | 110.6 | G775 E845 | P737-G775 PolarHBondContact O-N 2.91Å; P737-E845 WeakPolarHBondContact CB-OE1 3.5Å; P737-E845 VanDerWaalsContact CG-OE1 3.28Å; P737-E845 WeakPolarHBondContact CG-OE1 3.29Å; P737-E845 WeakPolarHBondContact CG-OE2 3.39Å | ||
| 738 | V | 82.8 | Confident | 71.2 | Confident | 59 Ų | 59 | 71.7 Ų | 71.7 | 36% | 0.358 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 107.9 | 175.8 | -173.6 | 0 | 0 | 0 | 0 | 108.6 | L736 K772 F774 R810 | L736-V738 PolarHBondContact O-N 2.72Å; V738-K772 HydrophobicContact CG1-CB 4.04Å; V738-K772 HydrophobicContact CG1-CG 4.25Å; V738-F774 HydrophobicContact CG1-CE1 4.31Å; V738-F774 HydrophobicContact CG2-CD1 3.99Å; V738-F774 HydrophobicContact CG2-CE1 3.88Å; V738-R810 PolarHBondContact O-NH1 3.35Å |
| 739 | R | 90.2 | Very high | 73.9 | Confident | 8 Ų | 8 | 67.6 Ų | 67.6 | 3% | 0.03 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 149.9 | 177 | -61 | 161.8 | 74 | 176.3 | 6.7 | 109 | F741 V773 G775 D776 E801 E845 | R739-F741 HydrophobicContact CB-CD2 4.16Å; R739-F741 HydrophobicContact CB-CE2 3.75Å; R739-V773 HydrophobicContact CB-CB 4.36Å; R739-V773 PolarHBondContact N-O 3.11Å; R739-V773 PolarHBondContact O-N 2.93Å; R739-G775 VanDerWaalsContact CD-O 3.3Å; R739-G775 WeakPolarHBondContact CD-O 3.43Å; R739-G775 PolarHBondContact NH1-O 2.82Å; R739-D776 IonicContact NH1-OD1 2.73Å; R739-E801 IonicContact CZ-OE1 3.95Å; R739-E801 IonicContact CZ-OE2 2.69Å; R739-E801 IonicContact NE-OE1 3.96Å; R739-E801 PolarHBondContact NE-OE1 3.19Å; R739-E801 IonicContact NE-OE2 3.03Å; R739-E801 VanDerWaalsContact NH2-CD 3.32Å; R739-E801 IonicContact NH2-OE1 3.32Å; R739-E801 PolarHBondContact NH2-OE1 3.16Å; R739-E801 IonicContact NH2-OE2 3.83Å; R739-E801 PolarHBondContact NH2-OE2 3.47Å; R739-E845 HydrophobicContact CG-CG 4.32Å |
| 740 | I | 91.8 | Very high | 76.2 | Confident | 3 Ų | 3 | 66.4 Ų | 66.4 | 2% | 0.015 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 125.6 | 179.7 | -56.1 | -59 | 0 | 0 | 0 | 108.4 | I770 V802 R810 L813 L814 | I740-I770 HydrophobicContact CG2-CG2 3.78Å; I740-V802 HydrophobicContact CG2-CB 4.38Å; I740-V802 PolarHBondContact O-N 3.17Å; I740-R810 HydrophobicContact CD1-CB 4.27Å; I740-R810 HydrophobicContact CG1-CB 3.88Å; I740-R810 HydrophobicContact CG1-CG 3.81Å; I740-L813 HydrophobicContact CG2-CB 4.38Å; I740-L813 HydrophobicContact CG2-CD1 3.93Å; I740-L814 HydrophobicContact CD1-CD1 3.84Å; I740-L814 HydrophobicContact CD1-CD2 3.9Å; I740-L814 HydrophobicContact CD1-CG 3.79Å |
| 741 | F | 93.7 | Very high | 78.5 | Confident | 4 Ų | 4 | 64.9 Ų | 64.9 | 2% | 0.018 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 151.7 | 176.9 | -80 | -111.2 | 0 | 0 | 0 | 110 | R739 I770 L771 V773 Y783 V799 A800 E801 | R739-F741 HydrophobicContact CB-CD2 4.16Å; R739-F741 HydrophobicContact CB-CE2 3.75Å; F741-I770 WeakPolarHBondContact O-CA 3.19Å; F741-L771 HydrophobicContact CB-CB 4.49Å; F741-L771 PolarHBondContact N-O 2.74Å; F741-L771 PolarHBondContact O-N 3.07Å; F741-V773 HydrophobicContact CB-CG2 4.13Å; F741-V773 HydrophobicContact CD1-CG2 4.5Å; F741-V773 HydrophobicContact CD2-CB 3.57Å; F741-V773 HydrophobicContact CD2-CG1 4.26Å; F741-V773 HydrophobicContact CD2-CG2 3.41Å; F741-V773 VanDerWaalsContact CD2-CG2 3.41Å; F741-V773 HydrophobicContact CE2-CB 3.72Å; F741-V773 HydrophobicContact CE2-CG1 3.9Å; F741-V773 HydrophobicContact CE2-CG2 3.88Å; F741-V773 HydrophobicContact CG-CB 4.42Å; F741-V773 HydrophobicContact CG-CG2 3.77Å; F741-Y783 HydrophobicContact CD1-CE2 4.5Å; F741-Y783 HydrophobicContact CE1-CD2 4.32Å; F741-Y783 AromaticContact CE1-CE2 3.71Å; F741-Y783 HydrophobicContact CE1-CE2 3.71Å; F741-Y783 AromaticContact CE1-CZ 3.85Å; F741-Y783 HydrophobicContact CZ-CE1 4.1Å; F741-Y783 HydrophobicContact CZ-CE2 4.09Å; F741-Y783 AromaticContact CZ-CZ 3.81Å; F741-V799 HydrophobicContact CB-CB 4.4Å; F741-V799 HydrophobicContact CD1-CB 4Å; F741-V799 HydrophobicContact CD1-CG2 3.7Å; F741-V799 HydrophobicContact CE1-CG2 4.25Å; F741-A800 CarbonylContact C-O 3.55Å; F741-A800 WeakPolarHBondContact CA-O 3.48Å; F741-A800 WeakPolarHBondContact CB-O 3.43Å; F741-A800 WeakPolarHBondContact CD1-O 3.46Å; F741-E801 HydrophobicContact CD1-CB 4.18Å; F741-E801 HydrophobicContact CD2-CB 4.46Å; F741-E801 HydrophobicContact CD2-CG 4.46Å; F741-E801 HydrophobicContact CE1-CB 3.74Å; F741-E801 HydrophobicContact CE2-CB 4.05Å; F741-E801 HydrophobicContact CE2-CG 3.99Å; F741-E801 HydrophobicContact CZ-CB 3.67Å; F741-E801 HydrophobicContact CZ-CG 4.06Å |
| 742 | V | 93.9 | Very high | 80.6 | Confident | 6 Ų | 6 | 63.1 Ų | 63.1 | 4% | 0.036 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 135.2 | 170.1 | 64.9 | 0 | 0 | 0 | 0 | 109 | Q769 I770 V799 A800 V802 L819 L824 | V742-Q769 WeakPolarHBondContact CA-O 3.4Å; V742-I770 HydrophobicContact CB-CD1 3.99Å; V742-I770 HydrophobicContact CG2-CD1 4.06Å; V742-V799 CarbonylContact O-C 3.59Å; V742-V799 WeakPolarHBondContact O-CA 3.37Å; V742-A800 HydrophobicContact CG1-CB 4.21Å; V742-A800 PolarHBondContact N-O 2.93Å; V742-A800 PolarHBondContact O-N 2.77Å; V742-V802 HydrophobicContact CB-CG2 3.89Å; V742-V802 HydrophobicContact CG1-CG2 3.74Å; V742-L819 HydrophobicContact CG2-CB 4.37Å; V742-L824 HydrophobicContact CG1-CD1 3.92Å |
| 743 | A | 94.1 | Very high | 82.2 | Confident | 3 Ų | 3 | 61 Ų | 61 | 3% | 0.025 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 129.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111 | F765 R766 G768 Q769 L771 | A743-F765 HydrophobicContact CB-CD2 3.42Å; A743-F765 VanDerWaalsContact CB-CD2 3.42Å; A743-F765 HydrophobicContact CB-CE2 3.74Å; A743-F765 HydrophobicContact CB-CG 4.36Å; A743-R766 WeakPolarHBondContact CB-O 3.3Å; A743-G768 PolarHBondContact O-N 3.16Å; A743-Q769 HydrophobicContact CB-CB 4.45Å; A743-Q769 PolarHBondContact N-O 3.45Å; A743-L771 HydrophobicContact CB-CD1 4.39Å |
| 744 | L | 91.2 | Very high | 83.6 | Confident | 64 Ų | 64 | 63.7 Ų | 63.7 | 34% | 0.335 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -85.3 | -20.9 | 178.7 | -63.9 | 178.3 | 0 | 0 | 0 | 112.7 | M798 A800 L824 | L744-M798 PolarHBondContact N-O 3.33Å; L744-A800 HydrophobicContact CD1-CB 4.18Å; L744-A800 HydrophobicContact CD2-CB 3.83Å; L744-A800 HydrophobicContact CG-CB 4.11Å; L744-L824 HydrophobicContact CD2-CD1 4.46Å |
| 745 | F | 91.4 | Very high | 84.9 | Confident | 104 Ų | 104 | 60.2 Ų | 60.2 | 46% | 0.456 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -149.1 | 163.7 | -177.2 | -51.9 | -69.6 | 0 | 0 | 0 | 109.6 | M798 | F745-M798 HydrophobicContact CB-CE 3.73Å; F745-M798 HydrophobicContact CD2-CE 4.17Å; F745-M798 HydrophobicContact CD2-SD 4.02Å; F745-M798 HydrophobicContact CG-CE 4.35Å |
| 746 | D | 91.2 | Very high | 85.9 | Confident | 91 Ų | 91 | 57.6 Ų | 57.6 | 49% | 0.487 | 33% | 0.331 | S | S | . | . | trans | -62.5 | 143 | 166.2 | -82.4 | -3.9 | 0 | 0 | 0 | 111.2 | R766 E767 M798 | D746-R766 WeakPolarHBondContact OD1-CA 3.47Å; D746-R766 VanDerWaalsContact OD1-CB 3.27Å; D746-R766 WeakPolarHBondContact OD1-CB 3.45Å; D746-E767 PolarHBondContact OD1-N 2.97Å; D746-M798 WeakPolarHBondContact O-CE 3.29Å | ||
| 747 | Y | 92.3 | Very high | 86.6 | Confident | 19 Ų | 19 | 58.7 Ų | 58.7 | 8% | 0.075 | 34% | 0.337 | C | S | . | . | B | Isolated β-bridge | trans | -134.5 | 116.9 | 171.8 | -165.5 | -116.5 | 0 | 0 | 0 | 112.5 | P749 M752 E762 P764 F765 P795 M798 | Y747-P749 HydrophobicContact CD1-CG 4.13Å; Y747-P749 HydrophobicContact CE1-CB 4.28Å; Y747-P749 HydrophobicContact CE1-CG 3.82Å; Y747-M752 HydrophobicContact CD2-CB 4.45Å; Y747-M752 HydrophobicContact CD2-CE 4.07Å; Y747-M752 HydrophobicContact CE2-CB 4Å; Y747-E762 HydrophobicContact CE1-CB 4.48Å; Y747-E762 WeakPolarHBondContact CE1-OE2 3.45Å; Y747-E762 PolarHBondContact OH-OE2 3.49Å; Y747-P764 VanDerWaalsContact O-CA 3.25Å; Y747-P764 WeakPolarHBondContact O-CA 3.44Å; Y747-F765 VanDerWaalsContact CB-CE2 3.43Å; Y747-F765 VanDerWaalsContact CB-CZ 3.44Å; Y747-F765 AromaticContact CD1-CE1 3.92Å; Y747-F765 HydrophobicContact CD1-CE1 3.92Å; Y747-F765 HydrophobicContact CD1-CZ 4.13Å; Y747-F765 HydrophobicContact CG-CE1 4.19Å; Y747-F765 HydrophobicContact CG-CE2 4.41Å; Y747-F765 AromaticContact CG-CZ 3.96Å; Y747-F765 HydrophobicContact CG-CZ 3.96Å; Y747-F765 PolarHBondContact N-O 3.41Å; Y747-F765 PolarHBondContact O-N 3.12Å; Y747-F765 VanDerWaalsContact O-O 3.13Å; Y747-P795 HydrophobicContact CD1-CG 4.19Å; Y747-P795 HydrophobicContact CE1-CG 3.64Å; Y747-P795 HydrophobicContact CE2-CG 4.03Å; Y747-M798 HydrophobicContact CD2-CE 4.04Å; Y747-M798 HydrophobicContact CD2-CG 4.37Å |
| 748 | D | 91.5 | Very high | 87.1 | Confident | 66 Ų | 66 | 56 Ų | 56 | 35% | 0.353 | 32% | 0.319 | S | S | . | . | trans | -115.5 | 110 | 167.2 | 168.5 | 38 | 0 | 0 | 0 | 109 | V750 S751 M752 | D748-V750 PolarHBondContact O-N 2.99Å; D748-V750 PolarHBondContact OD1-N 3.46Å; D748-S751 PolarHBondContact O-N 3.35Å; D748-S751 VanDerWaalsContact OD2-CB 3.29Å; D748-S751 WeakPolarHBondContact OD2-CB 3.43Å; D748-S751 PolarHBondContact OD2-N 2.84Å; D748-S751 PolarHBondContact OD2-OG 3.35Å; D748-M752 HydrophobicContact CB-CE 4.45Å; D748-M752 VanDerWaalsContact N-CE 3.34Å; D748-M752 PolarHBondContact O-N 3.38Å | ||
| 749 | P | 89.4 | Confident | 86.9 | Confident | 3 Ų | 3 | 55.3 Ų | 55.3 | 2% | 0.019 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -58.2 | -31.5 | 179.1 | -23.8 | 32.3 | 0 | 0 | 0 | 113.8 | Y747 S751 S753 A758 E762 P764 | Y747-P749 HydrophobicContact CD1-CG 4.13Å; Y747-P749 HydrophobicContact CE1-CB 4.28Å; Y747-P749 HydrophobicContact CE1-CG 3.82Å; P749-S751 VanDerWaalsContact C-N 3.31Å; P749-S751 PolarHBondContact O-N 2.92Å; P749-S753 WeakPolarHBondContact O-CB 3.27Å; P749-S753 PolarHBondContact O-N 3.16Å; P749-A758 HydrophobicContact CB-CB 3.71Å; P749-A758 WeakPolarHBondContact CB-O 3.37Å; P749-E762 HydrophobicContact CB-CB 3.91Å; P749-E762 HydrophobicContact CG-CB 3.79Å; P749-P764 HydrophobicContact CG-CB 4.36Å |
| 750 | V | 85.5 | Confident | 86.5 | Confident | 117 Ų | 117 | 63.9 Ų | 63.9 | 71% | 0.709 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -71.4 | -26.9 | -173.6 | -176.5 | 0 | 0 | 0 | 0 | 112.2 | D748 | D748-V750 PolarHBondContact O-N 2.99Å; D748-V750 PolarHBondContact OD1-N 3.46Å |
| 751 | S | 86.9 | Confident | 86.3 | Confident | 83 Ų | 83 | 68.7 Ų | 68.7 | 58% | 0.58 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -107.1 | -19.9 | 178.7 | 57.4 | 0 | 0 | 0 | 0 | 114.7 | D748 P749 | D748-S751 PolarHBondContact O-N 3.35Å; D748-S751 VanDerWaalsContact OD2-CB 3.29Å; D748-S751 WeakPolarHBondContact OD2-CB 3.43Å; D748-S751 PolarHBondContact OD2-N 2.84Å; D748-S751 PolarHBondContact OD2-OG 3.35Å; P749-S751 VanDerWaalsContact C-N 3.31Å; P749-S751 PolarHBondContact O-N 2.92Å |
| 752 | M | 85.1 | Confident | 86.2 | Confident | 101 Ų | 101 | 69 Ų | 69 | 50% | 0.498 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -119.8 | -15.2 | -174.1 | -68.2 | -171.6 | -74.7 | 0 | 0 | 116.1 | Y747 D748 | Y747-M752 HydrophobicContact CD2-CB 4.45Å; Y747-M752 HydrophobicContact CD2-CE 4.07Å; Y747-M752 HydrophobicContact CE2-CB 4Å; D748-M752 HydrophobicContact CB-CE 4.45Å; D748-M752 VanDerWaalsContact N-CE 3.34Å; D748-M752 PolarHBondContact O-N 3.38Å |
| 753 | S | 82.6 | Confident | 86.1 | Confident | 18 Ų | 18 | 68.9 Ų | 68.9 | 13% | 0.126 | 39% | 0.388 | C | S | . | . | trans | -81.7 | 142.5 | 170.8 | -173.1 | 0 | 0 | 0 | 0 | 111 | P749 N755 A758 E762 | P749-S753 WeakPolarHBondContact O-CB 3.27Å; P749-S753 PolarHBondContact O-N 3.16Å; S753-N755 PolarHBondContact O-N 3.34Å; S753-N755 PolarHBondContact OG-N 2.91Å; S753-N755 PolarHBondContact OG-ND2 2.87Å; S753-A758 WeakPolarHBondContact OG-CB 3.28Å; S753-E762 WeakPolarHBondContact CB-OE1 3.39Å; S753-E762 PolarHBondContact OG-OE1 3.2Å | ||
| 754 | P | 79.9 | Confident | 86 | Confident | 124 Ų | 124 | 70.2 Ų | 70.2 | 81% | 0.805 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -75.5 | -6.7 | 168.8 | 33.4 | -36.7 | 0 | 0 | 0 | 113.4 | ||
| 755 | N | 75.9 | Confident | 86.1 | Confident | 74 Ų | 74 | 67.6 Ų | 67.6 | 40% | 0.396 | 38% | 0.382 | S | S | . | . | trans | -90 | 130.8 | -176.2 | -52.2 | -40.8 | 0 | 0 | 0 | 110.6 | S753 D757 A758 E762 | S753-N755 PolarHBondContact O-N 3.34Å; S753-N755 PolarHBondContact OG-N 2.91Å; S753-N755 PolarHBondContact OG-ND2 2.87Å; N755-D757 PolarHBondContact O-N 3.44Å; N755-A758 HydrophobicContact CB-CB 4.17Å; N755-A758 VanDerWaalsContact O-CB 3.28Å; N755-A758 WeakPolarHBondContact O-CB 3.48Å; N755-A758 PolarHBondContact O-N 3.06Å; N755-E762 PolarHBondContact ND2-OE1 2.94Å | ||
| 756 | P | 74.8 | Confident | 86.1 | Confident | 135 Ų | 135 | 70.4 Ų | 70.4 | 88% | 0.877 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -16.7 | -175.8 | 31.4 | -36.7 | 0 | 0 | 0 | 114.1 | ||
| 757 | D | 81.6 | Confident | 86.2 | Confident | 91 Ų | 91 | 71 Ų | 71 | 49% | 0.487 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | -2 | -179.4 | 29.6 | 20.2 | 0 | 0 | 0 | 113 | N755 G759 E760 E761 | N755-D757 PolarHBondContact O-N 3.44Å; D757-G759 PolarHBondContact O-N 3.36Å; D757-E760 PolarHBondContact O-N 3.41Å; D757-E761 PolarHBondContact O-N 3.06Å |
| 758 | A | 83.3 | Confident | 85.9 | Confident | 2 Ų | 2 | 70.3 Ų | 70.3 | 2% | 0.017 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -54.5 | -31.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | P749 S753 N755 E760 E762 | P749-A758 HydrophobicContact CB-CB 3.71Å; P749-A758 WeakPolarHBondContact CB-O 3.37Å; S753-A758 WeakPolarHBondContact OG-CB 3.28Å; N755-A758 HydrophobicContact CB-CB 4.17Å; N755-A758 VanDerWaalsContact O-CB 3.28Å; N755-A758 WeakPolarHBondContact O-CB 3.48Å; N755-A758 PolarHBondContact O-N 3.06Å; A758-E760 PolarHBondContact O-N 2.93Å; A758-E762 HydrophobicContact CB-CG 4.16Å; A758-E762 WeakPolarHBondContact CB-OE1 3.36Å; A758-E762 WeakPolarHBondContact O-CA 3.44Å; A758-E762 WeakPolarHBondContact O-CB 3.32Å; A758-E762 PolarHBondContact O-N 3.08Å |
| 759 | G | 79.3 | Confident | 86 | Confident | 45 Ų | 45 | 68 Ų | 68 | 46% | 0.464 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -65.9 | -14.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | D757 | D757-G759 PolarHBondContact O-N 3.36Å |
| 760 | E | 81.1 | Confident | 86.1 | Confident | 188 Ų | 188 | 68.3 Ų | 68.3 | 88% | 0.879 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -108.2 | -32.2 | 175.5 | -63.6 | -170.1 | -171.6 | 0 | 0 | 113 | D757 A758 | D757-E760 PolarHBondContact O-N 3.41Å; A758-E760 PolarHBondContact O-N 2.93Å |
| 761 | E | 86.4 | Confident | 86.5 | Confident | 104 Ų | 104 | 62.7 Ų | 62.7 | 49% | 0.486 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -96.9 | -30.7 | -176.7 | -57.8 | -160.5 | 160.8 | 0 | 0 | 114.5 | D757 G792 Y793 | D757-E761 PolarHBondContact O-N 3.06Å; E761-G792 WeakPolarHBondContact O-CA 3.48Å; E761-Y793 HydrophobicContact CB-CD2 4.33Å; E761-Y793 WeakPolarHBondContact O-CD2 3.45Å; E761-Y793 PolarHBondContact O-N 3.36Å |
| 762 | E | 93 | Very high | 86.8 | Confident | 12 Ų | 12 | 61.2 Ų | 61.2 | 6% | 0.056 | 33% | 0.326 | C | S | . | . | B | Isolated β-bridge | trans | -96.8 | 148.3 | -178.8 | -56.4 | -179.3 | -142 | 0 | 0 | 111.7 | Y747 P749 S753 N755 A758 P764 | Y747-E762 HydrophobicContact CE1-CB 4.48Å; Y747-E762 WeakPolarHBondContact CE1-OE2 3.45Å; Y747-E762 PolarHBondContact OH-OE2 3.49Å; P749-E762 HydrophobicContact CB-CB 3.91Å; P749-E762 HydrophobicContact CG-CB 3.79Å; S753-E762 WeakPolarHBondContact CB-OE1 3.39Å; S753-E762 PolarHBondContact OG-OE1 3.2Å; N755-E762 PolarHBondContact ND2-OE1 2.94Å; A758-E762 HydrophobicContact CB-CG 4.16Å; A758-E762 WeakPolarHBondContact CB-OE1 3.36Å; A758-E762 WeakPolarHBondContact O-CA 3.44Å; A758-E762 WeakPolarHBondContact O-CB 3.32Å; A758-E762 PolarHBondContact O-N 3.08Å; E762-P764 VanDerWaalsContact O-CD 3.26Å; E762-P764 WeakPolarHBondContact O-CD 3.12Å |
| 763 | L | 92.5 | Very high | 87.1 | Confident | 2 Ų | 2 | 56.4 Ų | 56.4 | 1% | 0.01 | 30% | 0.302 | C | S | . | . | trans | -90.3 | 115.4 | -175 | -175.5 | 71.4 | 0 | 0 | 0 | 111 | F765 L771 R790 Y793 I794 | L763-F765 WeakPolarHBondContact O-CD1 3.46Å; L763-F765 WeakPolarHBondContact O-CE1 3.5Å; L763-L771 HydrophobicContact CD2-CD2 4.15Å; L763-R790 HydrophobicContact CD1-CB 3.74Å; L763-R790 WeakPolarHBondContact CD1-O 3.41Å; L763-Y793 PolarHBondContact N-O 3.27Å; L763-I794 HydrophobicContact CB-CG1 4.05Å; L763-I794 HydrophobicContact CD2-CD1 3.78Å; L763-I794 HydrophobicContact CD2-CG1 3.83Å | ||
| 764 | P | 91.2 | Very high | 87.5 | Confident | 32 Ų | 32 | 57.4 Ų | 57.4 | 21% | 0.208 | 30% | 0.304 | C | S | . | . | trans | -73.6 | 136.9 | 169 | 28.2 | -34.6 | 0 | 0 | 0 | 112 | Y747 P749 E762 | Y747-P764 VanDerWaalsContact O-CA 3.25Å; Y747-P764 WeakPolarHBondContact O-CA 3.44Å; P749-P764 HydrophobicContact CG-CB 4.36Å; E762-P764 VanDerWaalsContact O-CD 3.26Å; E762-P764 WeakPolarHBondContact O-CD 3.12Å | ||
| 765 | F | 93.6 | Very high | 87.7 | Confident | 8 Ų | 8 | 51.8 Ų | 51.8 | 4% | 0.035 | 27% | 0.269 | C | S | . | . | B | Isolated β-bridge | trans | -148.6 | 173.5 | 178.9 | 52.8 | -100.8 | 0 | 0 | 0 | 111.7 | A743 Y747 L763 Q769 L771 I794 M798 V799 | A743-F765 HydrophobicContact CB-CD2 3.42Å; A743-F765 VanDerWaalsContact CB-CD2 3.42Å; A743-F765 HydrophobicContact CB-CE2 3.74Å; A743-F765 HydrophobicContact CB-CG 4.36Å; Y747-F765 VanDerWaalsContact CB-CE2 3.43Å; Y747-F765 VanDerWaalsContact CB-CZ 3.44Å; Y747-F765 AromaticContact CD1-CE1 3.92Å; Y747-F765 HydrophobicContact CD1-CE1 3.92Å; Y747-F765 HydrophobicContact CD1-CZ 4.13Å; Y747-F765 HydrophobicContact CG-CE1 4.19Å; Y747-F765 HydrophobicContact CG-CE2 4.41Å; Y747-F765 AromaticContact CG-CZ 3.96Å; Y747-F765 HydrophobicContact CG-CZ 3.96Å; Y747-F765 PolarHBondContact N-O 3.41Å; Y747-F765 PolarHBondContact O-N 3.12Å; Y747-F765 VanDerWaalsContact O-O 3.13Å; L763-F765 WeakPolarHBondContact O-CD1 3.46Å; L763-F765 WeakPolarHBondContact O-CE1 3.5Å; F765-Q769 VanDerWaalsContact CA-OE1 3.29Å; F765-L771 HydrophobicContact CB-CD1 4.22Å; F765-L771 HydrophobicContact CB-CD2 3.97Å; F765-L771 HydrophobicContact CD1-CD1 3.8Å; F765-L771 HydrophobicContact CD2-CD1 4.23Å; F765-L771 HydrophobicContact CE1-CD1 4.19Å; F765-L771 HydrophobicContact CG-CD1 3.83Å; F765-L771 HydrophobicContact CG-CD2 4.45Å; F765-I794 HydrophobicContact CE1-CG1 4.45Å; F765-I794 HydrophobicContact CE1-CG2 3.9Å; F765-I794 HydrophobicContact CZ-CG2 4.28Å; F765-M798 HydrophobicContact CE2-CB 4.06Å; F765-M798 HydrophobicContact CZ-CB 3.82Å; F765-V799 HydrophobicContact CE2-CG1 4.14Å; F765-V799 HydrophobicContact CZ-CG1 3.91Å |
| 766 | R | 91.4 | Very high | 88.2 | Confident | 164 Ų | 164 | 50.5 Ų | 50.5 | 62% | 0.619 | 26% | 0.262 | S | S | * | . | trans | -119.8 | 158 | 179 | -71.3 | -173.9 | 177 | -162.5 | -4.8 | 113.1 | A743 D746 G768 Q769 Y818 | A743-R766 WeakPolarHBondContact CB-O 3.3Å; D746-R766 WeakPolarHBondContact OD1-CA 3.47Å; D746-R766 VanDerWaalsContact OD1-CB 3.27Å; D746-R766 WeakPolarHBondContact OD1-CB 3.45Å; R766-G768 PolarHBondContact O-N 3.09Å; R766-Q769 WeakPolarHBondContact O-CB 3.24Å; R766-Q769 PolarHBondContact O-N 3.4Å; R766-Y818 HydrophobicContact CB-CE1 4.18Å | ||
| 767 | E | 92.6 | Very high | 88.9 | Confident | 102 Ų | 102 | 46.6 Ų | 46.6 | 48% | 0.477 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | 136.6 | 172.6 | -173.3 | 176.3 | 146 | 0 | 0 | 111.2 | D746 Q769 | D746-E767 PolarHBondContact OD1-N 2.97Å; E767-Q769 PolarHBondContact O-N 3.06Å; E767-Q769 VanDerWaalsContact O-N 3.17Å |
| 768 | G | 86.8 | Confident | 89.1 | Confident | 5 Ų | 5 | 45 Ų | 45 | 5% | 0.052 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.8 | -6.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | A743 R766 Y818 L819 | A743-G768 PolarHBondContact O-N 3.16Å; R766-G768 PolarHBondContact O-N 3.09Å; G768-Y818 CarbonylContact O-C 3.59Å; G768-Y818 VanDerWaalsContact O-CA 3.28Å; G768-Y818 WeakPolarHBondContact O-CA 3.49Å; G768-L819 VanDerWaalsContact CA-O 3.27Å; G768-L819 WeakPolarHBondContact CA-O 3.29Å; G768-L819 PolarHBondContact O-N 3.38Å |
| 769 | Q | 92 | Very high | 88.8 | Confident | 17 Ų | 17 | 47.2 Ų | 47.2 | 8% | 0.079 | 24% | 0.241 | C | C | . | . | B | Isolated β-bridge | trans | -66.2 | 138.2 | 178.9 | -170 | 179.6 | -27.4 | 0 | 0 | 111.3 | V742 A743 F765 R766 E767 L771 Y818 | V742-Q769 WeakPolarHBondContact CA-O 3.4Å; A743-Q769 HydrophobicContact CB-CB 4.45Å; A743-Q769 PolarHBondContact N-O 3.45Å; F765-Q769 VanDerWaalsContact CA-OE1 3.29Å; R766-Q769 WeakPolarHBondContact O-CB 3.24Å; R766-Q769 PolarHBondContact O-N 3.4Å; E767-Q769 PolarHBondContact O-N 3.06Å; E767-Q769 VanDerWaalsContact O-N 3.17Å; Q769-L771 HydrophobicContact CG-CD2 4.23Å; Q769-Y818 HydrophobicContact CB-CD1 3.97Å; Q769-Y818 HydrophobicContact CB-CE1 3.58Å; Q769-Y818 HydrophobicContact CG-CD1 4.47Å; Q769-Y818 HydrophobicContact CG-CE1 3.97Å; Q769-Y818 HydrophobicContact CG-CE2 4.3Å |
| 770 | I | 92.5 | Very high | 89 | Confident | 10 Ų | 10 | 49.1 Ų | 49.1 | 5% | 0.051 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 129.7 | 175.7 | -59.5 | -64.9 | 0 | 0 | 0 | 110.5 | I740 F741 V742 L813 L814 G817 L819 | I740-I770 HydrophobicContact CG2-CG2 3.78Å; F741-I770 WeakPolarHBondContact O-CA 3.19Å; V742-I770 HydrophobicContact CB-CD1 3.99Å; V742-I770 HydrophobicContact CG2-CD1 4.06Å; I770-L813 HydrophobicContact CG2-CB 4.43Å; I770-L814 HydrophobicContact CG2-CD2 4.07Å; I770-G817 PolarHBondContact N-O 2.9Å; I770-L819 HydrophobicContact CD1-CB 4.21Å; I770-L819 HydrophobicContact CD1-CD1 3.67Å; I770-L819 HydrophobicContact CD1-CG 3.71Å; I770-L819 HydrophobicContact CG1-CG 4.28Å |
| 771 | L | 93.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 138.4 | -174.2 | -56.6 | 174.1 | 0 | 0 | 0 | 109.6 | F741 A743 L763 F765 Q769 I794 V799 | F741-L771 HydrophobicContact CB-CB 4.49Å; F741-L771 PolarHBondContact N-O 2.74Å; F741-L771 PolarHBondContact O-N 3.07Å; A743-L771 HydrophobicContact CB-CD1 4.39Å; L763-L771 HydrophobicContact CD2-CD2 4.15Å; F765-L771 HydrophobicContact CB-CD1 4.22Å; F765-L771 HydrophobicContact CB-CD2 3.97Å; F765-L771 HydrophobicContact CD1-CD1 3.8Å; F765-L771 HydrophobicContact CD2-CD1 4.23Å; F765-L771 HydrophobicContact CE1-CD1 4.19Å; F765-L771 HydrophobicContact CG-CD1 3.83Å; F765-L771 HydrophobicContact CG-CD2 4.45Å; Q769-L771 HydrophobicContact CG-CD2 4.23Å; L771-I794 HydrophobicContact CB-CD1 4.32Å; L771-I794 HydrophobicContact CD1-CD1 4.21Å; L771-I794 HydrophobicContact CD1-CG2 4.36Å; L771-V799 HydrophobicContact CD1-CG1 3.78Å |
| 772 | K | 92.9 | Very high | 89.6 | Confident | 52 Ų | 52 | 37.6 Ų | 37.6 | 23% | 0.226 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 127.3 | 168.7 | -62.6 | 159.9 | 175.5 | 170.8 | 0 | 107.8 | V738 F774 G785 E786 L814 | V738-K772 HydrophobicContact CG1-CB 4.04Å; V738-K772 HydrophobicContact CG1-CG 4.25Å; K772-F774 HydrophobicContact CB-CE2 4.48Å; K772-F774 HydrophobicContact CB-CZ 4.16Å; K772-G785 CarbonylContact O-C 3.59Å; K772-G785 WeakPolarHBondContact O-CA 3.47Å; K772-E786 HydrophobicContact CB-CB 4.26Å; K772-E786 HydrophobicContact CD-CB 4.02Å; K772-E786 HydrophobicContact CD-CG 4.36Å; K772-E786 VanDerWaalsContact CD-OE2 3.24Å; K772-E786 WeakPolarHBondContact CD-OE2 3.16Å; K772-E786 PolarHBondContact N-O 3.46Å; K772-E786 IonicContact NZ-OE1 3.88Å; K772-E786 PolarHBondContact NZ-OE1 2.91Å; K772-E786 IonicContact NZ-OE2 2.67Å; K772-E786 PolarHBondContact NZ-OE2 3.26Å; K772-E786 PolarHBondContact O-N 2.99Å; K772-L814 HydrophobicContact CD-CD2 4.32Å; K772-L814 HydrophobicContact CG-CD1 4.34Å; K772-L814 HydrophobicContact CG-CD2 3.52Å |
| 773 | V | 93.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 135.3 | 171.7 | 166.1 | 0 | 0 | 0 | 0 | 109.6 | R739 F741 Y783 I794 | R739-V773 HydrophobicContact CB-CB 4.36Å; R739-V773 PolarHBondContact N-O 3.11Å; R739-V773 PolarHBondContact O-N 2.93Å; F741-V773 HydrophobicContact CB-CG2 4.13Å; F741-V773 HydrophobicContact CD1-CG2 4.5Å; F741-V773 HydrophobicContact CD2-CB 3.57Å; F741-V773 HydrophobicContact CD2-CG1 4.26Å; F741-V773 HydrophobicContact CD2-CG2 3.41Å; F741-V773 VanDerWaalsContact CD2-CG2 3.41Å; F741-V773 HydrophobicContact CE2-CB 3.72Å; F741-V773 HydrophobicContact CE2-CG1 3.9Å; F741-V773 HydrophobicContact CE2-CG2 3.88Å; F741-V773 HydrophobicContact CG-CB 4.42Å; F741-V773 HydrophobicContact CG-CG2 3.77Å; V773-Y783 HydrophobicContact CG1-CD1 3.7Å; V773-Y783 HydrophobicContact CG1-CG 3.95Å; V773-Y783 HydrophobicContact CG2-CG 4.36Å; V773-I794 HydrophobicContact CG2-CD1 4.28Å |
| 774 | F | 89.4 | Confident | 89.5 | Confident | 39 Ų | 39 | 40.9 Ų | 40.9 | 17% | 0.171 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 102.2 | -179.7 | -54.8 | -75.9 | 0 | 0 | 0 | 110 | Y733 V738 K772 Q784 E786 | Y733-F774 HydrophobicContact CD1-CB 4.4Å; V738-F774 HydrophobicContact CG1-CE1 4.31Å; V738-F774 HydrophobicContact CG2-CD1 3.99Å; V738-F774 HydrophobicContact CG2-CE1 3.88Å; K772-F774 HydrophobicContact CB-CE2 4.48Å; K772-F774 HydrophobicContact CB-CZ 4.16Å; F774-Q784 PolarHBondContact N-O 3.36Å; F774-E786 HydrophobicContact CE2-CB 3.86Å; F774-E786 HydrophobicContact CZ-CB 4.11Å |
| 775 | G | 85 | Confident | 89.6 | Confident | 5 Ų | 5 | 39.4 Ų | 39.4 | 5% | 0.052 | 19% | 0.192 | C | C | . | . | S | Bend | trans | 79.7 | -127.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | P737 R739 | P737-G775 PolarHBondContact O-N 2.91Å; R739-G775 VanDerWaalsContact CD-O 3.3Å; R739-G775 WeakPolarHBondContact CD-O 3.43Å; R739-G775 PolarHBondContact NH1-O 2.82Å |
| 776 | D | 86.2 | Confident | 89.5 | Confident | 47 Ų | 47 | 41.4 Ų | 41.4 | 25% | 0.251 | 20% | 0.201 | S | C | . | . | trans | -120.8 | 153.9 | -159.7 | -133.7 | 2.9 | 0 | 0 | 0 | 112.3 | R739 K843 A844 | R739-D776 IonicContact NH1-OD1 2.73Å; D776-K843 VanDerWaalsContact OD1-C 3.29Å; D776-K843 WeakPolarHBondContact OD2-CA 3.46Å; D776-A844 VanDerWaalsContact CG-N 3.25Å; D776-A844 WeakPolarHBondContact OD1-CA 3.12Å; D776-A844 WeakPolarHBondContact OD1-CB 3.33Å; D776-A844 PolarHBondContact OD1-N 3.22Å; D776-A844 PolarHBondContact OD2-N 2.96Å | ||
| 777 | K | 89.2 | Confident | 89.4 | Confident | 53 Ų | 53 | 33.8 Ų | 33.8 | 23% | 0.23 | 17% | 0.174 | C | C | . | . | trans | -62.9 | 139.1 | 170.3 | 53.8 | 169.6 | 167.5 | 162.8 | 0 | 110.2 | F782 Y783 S841 | K777-F782 WeakPolarHBondContact CA-O 3.2Å; K777-Y783 HydrophobicContact CB-CD1 3.86Å; K777-Y783 HydrophobicContact CB-CE1 3.58Å; K777-Y783 HydrophobicContact CB-CG 4.47Å; K777-Y783 HydrophobicContact CG-CE1 4.16Å; K777-S841 WeakPolarHBondContact CE-O 3.43Å; K777-S841 PolarHBondContact NZ-O 3.36Å | ||
| 778 | D | 87.3 | Confident | 88.6 | Confident | 58 Ų | 58 | 32.6 Ų | 32.6 | 31% | 0.31 | 19% | 0.189 | S | C | . | . | trans | -73 | -161.5 | -176.7 | 68.8 | 12.7 | 0 | 0 | 0 | 113 | D780 G781 F782 | D778-D780 VanDerWaalsContact C-N 3.29Å; D778-D780 PolarHBondContact OD1-N 2.97Å; D778-G781 PolarHBondContact OD1-N 2.96Å; D778-F782 VanDerWaalsContact CG-O 3.31Å; D778-F782 PolarHBondContact N-O 2.87Å; D778-F782 PolarHBondContact OD1-N 3.35Å | ||
| 779 | A | 76.8 | Confident | 88.3 | Confident | 48 Ų | 48 | 35.6 Ų | 35.6 | 40% | 0.397 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -76.1 | -15 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | R840 | A779-R840 WeakPolarHBondContact O-CA 3.42Å; A779-R840 WeakPolarHBondContact O-CB 3.24Å; A779-R840 WeakPolarHBondContact O-CD 3.26Å; A779-R840 WeakPolarHBondContact O-CG 3.41Å; A779-R840 PolarHBondContact O-NE 3.35Å |
| 780 | D | 82.9 | Confident | 87.9 | Confident | 86 Ų | 86 | 41.9 Ų | 41.9 | 46% | 0.46 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -122.6 | -11.2 | -165.5 | -60.4 | -55.2 | 0 | 0 | 0 | 113 | D778 R840 | D778-D780 VanDerWaalsContact C-N 3.29Å; D778-D780 PolarHBondContact OD1-N 2.97Å; D780-R840 IonicContact OD1-CZ 3.25Å; D780-R840 IonicContact OD1-NE 2.65Å; D780-R840 PolarHBondContact OD1-NE 2.84Å; D780-R840 IonicContact OD1-NH2 3.66Å; D780-R840 PolarHBondContact OD1-NH2 3.12Å; D780-R840 IonicContact OD2-NH2 3.75Å |
| 781 | G | 87.9 | Confident | 87.7 | Confident | 5 Ų | 5 | 46.4 Ų | 46.4 | 5% | 0.052 | 27% | 0.271 | C | S | . | . | S | Bend | trans | 120.5 | 13.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | D778 C796 | D778-G781 PolarHBondContact OD1-N 2.96Å; G781-C796 WeakPolarHBondContact O-CB 3.23Å; G781-C796 PolarHBondContact O-N 3.4Å; G781-C796 PolarHBondContact O-SG 3.27Å |
| 782 | F | 91.5 | Very high | 87.7 | Confident | 45 Ų | 45 | 46.9 Ų | 46.9 | 20% | 0.197 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 141.6 | -177.9 | -63.6 | -104.1 | 0 | 0 | 0 | 111 | K777 D778 Y793 I794 P795 | K777-F782 WeakPolarHBondContact CA-O 3.2Å; D778-F782 VanDerWaalsContact CG-O 3.31Å; D778-F782 PolarHBondContact N-O 2.87Å; D778-F782 PolarHBondContact OD1-N 3.35Å; F782-Y793 HydrophobicContact CB-CD1 4.16Å; F782-I794 CarbonylContact C-O 3.42Å; F782-I794 WeakPolarHBondContact CA-O 3.24Å; F782-P795 HydrophobicContact CD1-CB 4.29Å; F782-P795 HydrophobicContact CD1-CG 4.17Å; F782-P795 HydrophobicContact CE1-CB 4.06Å; F782-P795 HydrophobicContact CE1-CG 3.8Å |
| 783 | Y | 93.3 | Very high | 87.7 | Confident | 28 Ų | 28 | 48.5 Ų | 48.5 | 11% | 0.11 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 149.9 | 163 | -64.9 | -71.7 | 0 | 0 | 0 | 109 | F741 V773 K777 Y793 I794 C796 V799 | F741-Y783 HydrophobicContact CD1-CE2 4.5Å; F741-Y783 HydrophobicContact CE1-CD2 4.32Å; F741-Y783 AromaticContact CE1-CE2 3.71Å; F741-Y783 HydrophobicContact CE1-CE2 3.71Å; F741-Y783 AromaticContact CE1-CZ 3.85Å; F741-Y783 HydrophobicContact CZ-CE1 4.1Å; F741-Y783 HydrophobicContact CZ-CE2 4.09Å; F741-Y783 AromaticContact CZ-CZ 3.81Å; V773-Y783 HydrophobicContact CG1-CD1 3.7Å; V773-Y783 HydrophobicContact CG1-CG 3.95Å; V773-Y783 HydrophobicContact CG2-CG 4.36Å; K777-Y783 HydrophobicContact CB-CD1 3.86Å; K777-Y783 HydrophobicContact CB-CE1 3.58Å; K777-Y783 HydrophobicContact CB-CG 4.47Å; K777-Y783 HydrophobicContact CG-CE1 4.16Å; Y783-Y793 CarbonylContact O-C 3.5Å; Y783-Y793 WeakPolarHBondContact O-CA 3.35Å; Y783-I794 PolarHBondContact N-O 3.27Å; Y783-I794 PolarHBondContact O-N 2.93Å; Y783-C796 HydrophobicContact CD2-CB 3.97Å; Y783-C796 HydrophobicContact CE2-CB 3.48Å; Y783-C796 VanDerWaalsContact CE2-CB 3.48Å; Y783-V799 HydrophobicContact CD2-CG2 4.01Å; Y783-V799 HydrophobicContact CE2-CG2 4.13Å |
| 784 | Q | 91.4 | Very high | 87.7 | Confident | 55 Ų | 55 | 48.5 Ų | 48.5 | 26% | 0.257 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 131.6 | 167 | -168.4 | 166.7 | 5.9 | 0 | 0 | 109.5 | Y733 F774 | Y733-Q784 PolarHBondContact OH-OE1 3.48Å; F774-Q784 PolarHBondContact N-O 3.36Å |
| 785 | G | 92.4 | Very high | 87.9 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 177.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | K772 T791 G792 | K772-G785 CarbonylContact O-C 3.59Å; K772-G785 WeakPolarHBondContact O-CA 3.47Å; G785-T791 VanDerWaalsContact O-CA 3.23Å; G785-T791 WeakPolarHBondContact O-CA 3.44Å; G785-G792 PolarHBondContact N-O 3.16Å; G785-G792 PolarHBondContact O-N 2.8Å |
| 786 | E | 92.4 | Very high | 88.2 | Confident | 51 Ų | 51 | 48.5 Ų | 48.5 | 24% | 0.238 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 131.2 | 178.7 | -173.6 | -145.8 | 128.8 | 0 | 0 | 110.4 | K772 F774 R790 T791 | K772-E786 HydrophobicContact CB-CB 4.26Å; K772-E786 HydrophobicContact CD-CB 4.02Å; K772-E786 HydrophobicContact CD-CG 4.36Å; K772-E786 VanDerWaalsContact CD-OE2 3.24Å; K772-E786 WeakPolarHBondContact CD-OE2 3.16Å; K772-E786 PolarHBondContact N-O 3.46Å; K772-E786 IonicContact NZ-OE1 3.88Å; K772-E786 PolarHBondContact NZ-OE1 2.91Å; K772-E786 IonicContact NZ-OE2 2.67Å; K772-E786 PolarHBondContact NZ-OE2 3.26Å; K772-E786 PolarHBondContact O-N 2.99Å; F774-E786 HydrophobicContact CE2-CB 3.86Å; F774-E786 HydrophobicContact CZ-CB 4.11Å; E786-R790 CarbonylContact C-O 3.59Å; E786-R790 VanDerWaalsContact CA-O 3.24Å; E786-R790 WeakPolarHBondContact CA-O 3.4Å; E786-R790 WeakPolarHBondContact CG-O 3.46Å; E786-T791 HydrophobicContact CB-CG2 3.84Å; E786-T791 HydrophobicContact CG-CG2 3.96Å |
| 787 | G | 87.5 | Confident | 88.5 | Confident | 4 Ų | 4 | 49.3 Ų | 49.3 | 4% | 0.041 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 134.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111 | G789 R790 | G787-G789 PolarHBondContact O-N 2.81Å; G787-G789 VanDerWaalsContact O-N 3.12Å; G787-R790 PolarHBondContact N-O 3.41Å; G787-R790 PolarHBondContact O-N 3.49Å |
| 788 | G | 76.7 | Confident | 88.6 | Confident | 77 Ų | 77 | 47.9 Ų | 47.9 | 79% | 0.794 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.9 | 24.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115 | R790 | G788-R790 VanDerWaalsContact C-N 3.34Š|
| 789 | G | 79.8 | Confident | 88.9 | Confident | 67 Ų | 67 | 45.7 Ų | 45.7 | 69% | 0.691 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.1 | 7.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | G787 | G787-G789 PolarHBondContact O-N 2.81Å; G787-G789 VanDerWaalsContact O-N 3.12Å |
| 790 | R | 84.6 | Confident | 89.6 | Confident | 150 Ų | 150 | 44.9 Ų | 44.9 | 57% | 0.566 | 27% | 0.265 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 151 | 168.5 | -72.2 | -176.6 | -72.8 | -177.5 | -5 | 110.6 | L763 E786 G787 G788 | L763-R790 HydrophobicContact CD1-CB 3.74Å; L763-R790 WeakPolarHBondContact CD1-O 3.41Å; E786-R790 CarbonylContact C-O 3.59Å; E786-R790 VanDerWaalsContact CA-O 3.24Å; E786-R790 WeakPolarHBondContact CA-O 3.4Å; E786-R790 WeakPolarHBondContact CG-O 3.46Å; G787-R790 PolarHBondContact N-O 3.41Å; G787-R790 PolarHBondContact O-N 3.49Å; G788-R790 VanDerWaalsContact C-N 3.34Å |
| 791 | T | 88.9 | Confident | 90.1 | Very high | 104 Ų | 104 | 44.2 Ų | 44.2 | 64% | 0.638 | 26% | 0.259 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 144.1 | 171 | 42.9 | 0 | 0 | 0 | 0 | 110.5 | G785 E786 | G785-T791 VanDerWaalsContact O-CA 3.23Å; G785-T791 WeakPolarHBondContact O-CA 3.44Å; E786-T791 HydrophobicContact CB-CG2 3.84Å; E786-T791 HydrophobicContact CG-CG2 3.96Å |
| 792 | G | 91.4 | Very high | 90.2 | Very high | 10 Ų | 10 | 45.5 Ų | 45.5 | 10% | 0.103 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -178.4 | -173.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | E761 G785 | E761-G792 WeakPolarHBondContact O-CA 3.48Å; G785-G792 PolarHBondContact N-O 3.16Å; G785-G792 PolarHBondContact O-N 2.8Å |
| 793 | Y | 93.1 | Very high | 89.7 | Confident | 87 Ų | 87 | 46.7 Ų | 46.7 | 34% | 0.341 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 143.8 | 174.7 | -65.8 | -72.2 | 0 | 0 | 0 | 112.6 | E761 L763 F782 Y783 | E761-Y793 HydrophobicContact CB-CD2 4.33Å; E761-Y793 WeakPolarHBondContact O-CD2 3.45Å; E761-Y793 PolarHBondContact O-N 3.36Å; L763-Y793 PolarHBondContact N-O 3.27Å; F782-Y793 HydrophobicContact CB-CD1 4.16Å; Y783-Y793 CarbonylContact O-C 3.5Å; Y783-Y793 WeakPolarHBondContact O-CA 3.35Å |
| 794 | I | 94.6 | Very high | 89 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 116.3 | -175.2 | -63.9 | 169.8 | 0 | 0 | 0 | 108.2 | L763 F765 L771 V773 F782 Y783 C796 V799 | L763-I794 HydrophobicContact CB-CG1 4.05Å; L763-I794 HydrophobicContact CD2-CD1 3.78Å; L763-I794 HydrophobicContact CD2-CG1 3.83Å; F765-I794 HydrophobicContact CE1-CG1 4.45Å; F765-I794 HydrophobicContact CE1-CG2 3.9Å; F765-I794 HydrophobicContact CZ-CG2 4.28Å; L771-I794 HydrophobicContact CB-CD1 4.32Å; L771-I794 HydrophobicContact CD1-CD1 4.21Å; L771-I794 HydrophobicContact CD1-CG2 4.36Å; V773-I794 HydrophobicContact CG2-CD1 4.28Å; F782-I794 CarbonylContact C-O 3.42Å; F782-I794 WeakPolarHBondContact CA-O 3.24Å; Y783-I794 PolarHBondContact N-O 3.27Å; Y783-I794 PolarHBondContact O-N 2.93Å; I794-C796 PolarHBondContact O-N 2.9Å; I794-V799 HydrophobicContact CG2-CB 4.35Å; I794-V799 HydrophobicContact CG2-CG1 3.53Å; I794-V799 HydrophobicContact CG2-CG2 3.83Å |
| 795 | P | 92.6 | Very high | 88.2 | Confident | 16 Ų | 16 | 46.9 Ų | 46.9 | 10% | 0.104 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 128.6 | 179.6 | -14.3 | 24.7 | 0 | 0 | 0 | 111.7 | Y747 F782 N797 M798 | Y747-P795 HydrophobicContact CD1-CG 4.19Å; Y747-P795 HydrophobicContact CE1-CG 3.64Å; Y747-P795 HydrophobicContact CE2-CG 4.03Å; F782-P795 HydrophobicContact CD1-CB 4.29Å; F782-P795 HydrophobicContact CD1-CG 4.17Å; F782-P795 HydrophobicContact CE1-CB 4.06Å; F782-P795 HydrophobicContact CE1-CG 3.8Å; P795-N797 PolarHBondContact O-N 2.83Å; P795-N797 VanDerWaalsContact O-N 3.16Å; P795-M798 HydrophobicContact CB-CG 4.08Å; P795-M798 HydrophobicContact CG-CG 4.37Å; P795-M798 PolarHBondContact O-N 3.28Å; P795-M798 VanDerWaalsContact O-N 3.14Å |
| 796 | C | 92.1 | Very high | 87.7 | Confident | 27 Ų | 27 | 49.7 Ų | 49.7 | 18% | 0.182 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -63.6 | -25.2 | -174.3 | 68.4 | 0 | 0 | 0 | 0 | 114.5 | G781 Y783 I794 M798 | G781-C796 WeakPolarHBondContact O-CB 3.23Å; G781-C796 PolarHBondContact O-N 3.4Å; G781-C796 PolarHBondContact O-SG 3.27Å; Y783-C796 HydrophobicContact CD2-CB 3.97Å; Y783-C796 HydrophobicContact CE2-CB 3.48Å; Y783-C796 VanDerWaalsContact CE2-CB 3.48Å; I794-C796 PolarHBondContact O-N 2.9Å; C796-M798 PolarHBondContact O-N 2.84Å |
| 797 | N | 93.2 | Very high | 86.9 | Confident | 65 Ų | 65 | 52.4 Ų | 52.4 | 35% | 0.348 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -74.4 | -10.5 | -179.6 | -65.9 | 13.3 | 0 | 0 | 0 | 113.3 | P795 P836 | P795-N797 PolarHBondContact O-N 2.83Å; P795-N797 VanDerWaalsContact O-N 3.16Å; N797-P836 PolarHBondContact ND2-O 3.39Å |
| 798 | M | 91.1 | Very high | 86.5 | Confident | 23 Ų | 23 | 55.2 Ų | 55.2 | 11% | 0.113 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -105.4 | -0.7 | -174.6 | -56.7 | -60.5 | -82 | 0 | 0 | 113.2 | L744 F745 D746 Y747 F765 P795 C796 | L744-M798 PolarHBondContact N-O 3.33Å; F745-M798 HydrophobicContact CB-CE 3.73Å; F745-M798 HydrophobicContact CD2-CE 4.17Å; F745-M798 HydrophobicContact CD2-SD 4.02Å; F745-M798 HydrophobicContact CG-CE 4.35Å; D746-M798 WeakPolarHBondContact O-CE 3.29Å; Y747-M798 HydrophobicContact CD2-CE 4.04Å; Y747-M798 HydrophobicContact CD2-CG 4.37Å; F765-M798 HydrophobicContact CE2-CB 4.06Å; F765-M798 HydrophobicContact CZ-CB 3.82Å; P795-M798 HydrophobicContact CB-CG 4.08Å; P795-M798 HydrophobicContact CG-CG 4.37Å; P795-M798 PolarHBondContact O-N 3.28Å; P795-M798 VanDerWaalsContact O-N 3.14Å; C796-M798 PolarHBondContact O-N 2.84Å |
| 799 | V | 92.5 | Very high | 86.6 | Confident | 11 Ų | 11 | 52.3 Ų | 52.3 | 7% | 0.067 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 142.1 | -172.1 | -61.9 | 0 | 0 | 0 | 0 | 112.3 | F741 V742 F765 L771 Y783 I794 | F741-V799 HydrophobicContact CB-CB 4.4Å; F741-V799 HydrophobicContact CD1-CB 4Å; F741-V799 HydrophobicContact CD1-CG2 3.7Å; F741-V799 HydrophobicContact CE1-CG2 4.25Å; V742-V799 CarbonylContact O-C 3.59Å; V742-V799 WeakPolarHBondContact O-CA 3.37Å; F765-V799 HydrophobicContact CE2-CG1 4.14Å; F765-V799 HydrophobicContact CZ-CG1 3.91Å; L771-V799 HydrophobicContact CD1-CG1 3.78Å; Y783-V799 HydrophobicContact CD2-CG2 4.01Å; Y783-V799 HydrophobicContact CE2-CG2 4.13Å; I794-V799 HydrophobicContact CG2-CB 4.35Å; I794-V799 HydrophobicContact CG2-CG1 3.53Å; I794-V799 HydrophobicContact CG2-CG2 3.83Å |
| 800 | A | 92.7 | Very high | 86.7 | Confident | 31 Ų | 31 | 51.5 Ų | 51.5 | 26% | 0.256 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 143.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | F741 V742 L744 | F741-A800 CarbonylContact C-O 3.55Å; F741-A800 WeakPolarHBondContact CA-O 3.48Å; F741-A800 WeakPolarHBondContact CB-O 3.43Å; F741-A800 WeakPolarHBondContact CD1-O 3.46Å; V742-A800 HydrophobicContact CG1-CB 4.21Å; V742-A800 PolarHBondContact N-O 2.93Å; V742-A800 PolarHBondContact O-N 2.77Å; L744-A800 HydrophobicContact CD1-CB 4.18Å; L744-A800 HydrophobicContact CD2-CB 3.83Å; L744-A800 HydrophobicContact CG-CB 4.11Å |
| 801 | E | 92.3 | Very high | 86.3 | Confident | 72 Ų | 72 | 50.2 Ų | 50.2 | 34% | 0.336 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 132.8 | 173.2 | -175.6 | 161.4 | -147.5 | 0 | 0 | 110.5 | R739 F741 | R739-E801 IonicContact CZ-OE1 3.95Å; R739-E801 IonicContact CZ-OE2 2.69Å; R739-E801 IonicContact NE-OE1 3.96Å; R739-E801 PolarHBondContact NE-OE1 3.19Å; R739-E801 IonicContact NE-OE2 3.03Å; R739-E801 VanDerWaalsContact NH2-CD 3.32Å; R739-E801 IonicContact NH2-OE1 3.32Å; R739-E801 PolarHBondContact NH2-OE1 3.16Å; R739-E801 IonicContact NH2-OE2 3.83Å; R739-E801 PolarHBondContact NH2-OE2 3.47Å; F741-E801 HydrophobicContact CD1-CB 4.18Å; F741-E801 HydrophobicContact CD2-CB 4.46Å; F741-E801 HydrophobicContact CD2-CG 4.46Å; F741-E801 HydrophobicContact CE1-CB 3.74Å; F741-E801 HydrophobicContact CE2-CB 4.05Å; F741-E801 HydrophobicContact CE2-CG 3.99Å; F741-E801 HydrophobicContact CZ-CB 3.67Å; F741-E801 HydrophobicContact CZ-CG 4.06Å |
| 802 | V | 89.5 | Confident | 85.9 | Confident | 33 Ų | 33 | 50.2 Ų | 50.2 | 20% | 0.2 | 29% | 0.293 | C | S | . | . | trans | -101.4 | 101.8 | 172.9 | -168 | 0 | 0 | 0 | 0 | 107.6 | I740 V742 V804 L813 | I740-V802 HydrophobicContact CG2-CB 4.38Å; I740-V802 PolarHBondContact O-N 3.17Å; V742-V802 HydrophobicContact CB-CG2 3.89Å; V742-V802 HydrophobicContact CG1-CG2 3.74Å; V802-V804 HydrophobicContact CG1-CG2 3.86Å; V802-V804 PolarHBondContact O-N 2.65Å; V802-L813 HydrophobicContact CB-CD1 4.43Å; V802-L813 HydrophobicContact CG1-CD1 3.88Å | ||
| 803 | A | 81.9 | Confident | 85.5 | Confident | 70 Ų | 70 | 50.5 Ų | 50.5 | 58% | 0.579 | 29% | 0.293 | S | S | * | . | trans | -63 | 121 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | E847 | A803-E847 WeakPolarHBondContact CA-OE1 3.47Å; A803-E847 HydrophobicContact CB-CG 4.26Å | ||
| 804 | V | 79 | Confident | 85 | Confident | 24 Ų | 24 | 49.4 Ų | 49.4 | 15% | 0.145 | 29% | 0.292 | C | S | . | . | trans | -147 | 94.4 | -179.8 | -171.7 | 0 | 0 | 0 | 0 | 110.2 | V802 S806 R810 L813 E847 | V802-V804 HydrophobicContact CG1-CG2 3.86Å; V802-V804 PolarHBondContact O-N 2.65Å; V804-S806 PolarHBondContact O-N 3.21Å; V804-R810 HydrophobicContact CB-CG 3.83Å; V804-R810 HydrophobicContact CG1-CG 4.02Å; V804-R810 WeakPolarHBondContact O-CG 3.28Å; V804-R810 PolarHBondContact O-NE 3.16Å; V804-L813 HydrophobicContact CG2-CD1 3.77Å; V804-E847 PolarHBondContact N-OE1 3.48Å | ||
| 805 | D | 74.7 | Confident | 84.2 | Confident | 63 Ų | 63 | 56.5 Ų | 56.5 | 34% | 0.337 | 33% | 0.325 | S | S | . | . | trans | -74.7 | 2.7 | -170.8 | -33.6 | -114.9 | 0 | 0 | 0 | 113.8 | E847 G848 P849 | D805-E847 VanDerWaalsContact CA-OE2 3.23Å; D805-E847 WeakPolarHBondContact CA-OE2 3.49Å; D805-E847 PolarHBondContact N-OE2 2.91Å; D805-E847 WeakPolarHBondContact OD1-CB 3.49Å; D805-E847 VanDerWaalsContact OD1-CG 3.26Å; D805-E847 WeakPolarHBondContact OD1-CG 3.47Å; D805-G848 WeakPolarHBondContact OD1-CA 3.4Å; D805-G848 PolarHBondContact OD1-N 3.32Å; D805-P849 HydrophobicContact CB-CB 4.49Å; D805-P849 HydrophobicContact CB-CG 3.8Å; D805-P849 VanDerWaalsContact CG-CB 3.47Å; D805-P849 WeakPolarHBondContact OD1-CB 3.39Å; D805-P849 WeakPolarHBondContact OD1-CD 3.43Å; D805-P849 WeakPolarHBondContact OD2-CB 3.34Å; D805-P849 VanDerWaalsContact OD2-CG 3.24Å; D805-P849 WeakPolarHBondContact OD2-CG 3.23Å | ||
| 806 | S | 80.6 | Confident | 83.5 | Confident | 58 Ų | 58 | 63.1 Ų | 63.1 | 41% | 0.406 | 35% | 0.348 | S | S | . | . | trans | -119.3 | 124.9 | 177.3 | 176.3 | 0 | 0 | 0 | 0 | 110.5 | V804 A808 G809 R810 | V804-S806 PolarHBondContact O-N 3.21Å; S806-A808 PolarHBondContact O-N 2.67Å; S806-A808 PolarHBondContact OG-N 3.31Å; S806-G809 WeakPolarHBondContact O-CA 3.4Å; S806-G809 PolarHBondContact O-N 3.03Å; S806-R810 PolarHBondContact O-N 2.89Å | ||
| 807 | P | 76.1 | Confident | 82.9 | Confident | 108 Ų | 108 | 63 Ų | 63 | 70% | 0.701 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -62.3 | -27.6 | 177.8 | 25.8 | -34.1 | 0 | 0 | 0 | 112.3 | Q811 | P807-Q811 WeakPolarHBondContact O-CB 3.4Å; P807-Q811 PolarHBondContact O-N 3.03Å |
| 808 | A | 79.5 | Confident | 82.4 | Confident | 63 Ų | 63 | 65.5 Ų | 65.5 | 52% | 0.521 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -67.7 | -37.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112 | S806 Q811 Q812 | S806-A808 PolarHBondContact O-N 2.67Å; S806-A808 PolarHBondContact OG-N 3.31Å; A808-Q811 PolarHBondContact O-N 2.9Å; A808-Q812 WeakPolarHBondContact O-CB 3.38Å; A808-Q812 PolarHBondContact O-N 2.68Å |
| 809 | G | 79.5 | Confident | 81.8 | Confident | 17 Ų | 17 | 66 Ų | 66 | 18% | 0.175 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -65.8 | -46.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | S806 Q811 Q812 L813 | S806-G809 WeakPolarHBondContact O-CA 3.4Å; S806-G809 PolarHBondContact O-N 3.03Å; G809-Q811 VanDerWaalsContact C-N 3.28Å; G809-Q811 PolarHBondContact O-N 3.26Å; G809-Q812 PolarHBondContact O-N 2.99Å; G809-Q812 VanDerWaalsContact O-N 3.09Å; G809-L813 PolarHBondContact O-N 3.14Å |
| 810 | R | 79.9 | Confident | 80.3 | Confident | 50 Ų | 50 | 68.9 Ų | 68.9 | 19% | 0.189 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -55.7 | -44.3 | 174.3 | -65.8 | -173.2 | -173.4 | -154.2 | 3.1 | 110.9 | V738 I740 V804 S806 L813 L814 E847 | V738-R810 PolarHBondContact O-NH1 3.35Å; I740-R810 HydrophobicContact CD1-CB 4.27Å; I740-R810 HydrophobicContact CG1-CB 3.88Å; I740-R810 HydrophobicContact CG1-CG 3.81Å; V804-R810 HydrophobicContact CB-CG 3.83Å; V804-R810 HydrophobicContact CG1-CG 4.02Å; V804-R810 WeakPolarHBondContact O-CG 3.28Å; V804-R810 PolarHBondContact O-NE 3.16Å; S806-R810 PolarHBondContact O-N 2.89Å; R810-L813 PolarHBondContact O-N 3.45Å; R810-L814 WeakPolarHBondContact O-CG 3.48Å; R810-L814 PolarHBondContact O-N 3.38Å; R810-L814 VanDerWaalsContact O-N 3.16Å; R810-E847 IonicContact CZ-OE1 2.65Å; R810-E847 IonicContact CZ-OE2 2.72Å; R810-E847 IonicContact NH2-OE1 3.34Å; R810-E847 PolarHBondContact NH2-OE1 3.07Å; R810-E847 IonicContact NH2-OE2 2.7Å; R810-E847 PolarHBondContact NH2-OE2 3.27Å |
| 811 | Q | 77.1 | Confident | 78.5 | Confident | 123 Ų | 123 | 70.9 Ų | 70.9 | 58% | 0.575 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -67 | -36 | 177 | -162.1 | 178.2 | 25.1 | 0 | 0 | 113 | P807 A808 G809 L814 Q815 | P807-Q811 WeakPolarHBondContact O-CB 3.4Å; P807-Q811 PolarHBondContact O-N 3.03Å; A808-Q811 PolarHBondContact O-N 2.9Å; G809-Q811 VanDerWaalsContact C-N 3.28Å; G809-Q811 PolarHBondContact O-N 3.26Å; Q811-L814 PolarHBondContact O-N 3.04Å; Q811-Q815 WeakPolarHBondContact O-CG 3.4Å; Q811-Q815 PolarHBondContact O-N 2.83Å |
| 812 | Q | 80.9 | Confident | 76.3 | Confident | 103 Ų | 103 | 73.6 Ų | 73.6 | 48% | 0.481 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -67.4 | -37.9 | 177.1 | -168.8 | 178.4 | 33 | 0 | 0 | 112.5 | A808 G809 Q815 R816 | A808-Q812 WeakPolarHBondContact O-CB 3.38Å; A808-Q812 PolarHBondContact O-N 2.68Å; G809-Q812 PolarHBondContact O-N 2.99Å; G809-Q812 VanDerWaalsContact O-N 3.09Å; Q812-Q815 PolarHBondContact O-N 2.93Å; Q812-R816 PolarHBondContact O-N 3Å; Q812-R816 VanDerWaalsContact O-N 3.13Å |
| 813 | L | 83.4 | Confident | 74.5 | Confident | 17 Ų | 17 | 78.3 Ų | 78.3 | 9% | 0.089 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -64.7 | -43.7 | 172.8 | -66.4 | -173 | 0 | 0 | 0 | 111.6 | I740 I770 V802 V804 G809 R810 Q815 R816 G817 L819 | I740-L813 HydrophobicContact CG2-CB 4.38Å; I740-L813 HydrophobicContact CG2-CD1 3.93Å; I770-L813 HydrophobicContact CG2-CB 4.43Å; V802-L813 HydrophobicContact CB-CD1 4.43Å; V802-L813 HydrophobicContact CG1-CD1 3.88Å; V804-L813 HydrophobicContact CG2-CD1 3.77Å; G809-L813 PolarHBondContact O-N 3.14Å; R810-L813 PolarHBondContact O-N 3.45Å; L813-Q815 VanDerWaalsContact C-N 3.28Å; L813-Q815 PolarHBondContact O-N 3.3Å; L813-R816 PolarHBondContact O-N 2.97Å; L813-R816 VanDerWaalsContact O-N 3.09Å; L813-G817 PolarHBondContact O-N 2.96Å; L813-L819 HydrophobicContact CD2-CD1 4.04Å; L813-L819 HydrophobicContact CD2-CD2 3.88Å; L813-L819 HydrophobicContact CD2-CG 4.2Å |
| 814 | L | 81 | Confident | 73.1 | Confident | 64 Ų | 64 | 79.5 Ų | 79.5 | 34% | 0.335 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -64.4 | -29.9 | 176.5 | -68.8 | 172.9 | 0 | 0 | 0 | 113.3 | I740 I770 K772 R810 Q811 | I740-L814 HydrophobicContact CD1-CD1 3.84Å; I740-L814 HydrophobicContact CD1-CD2 3.9Å; I740-L814 HydrophobicContact CD1-CG 3.79Å; I770-L814 HydrophobicContact CG2-CD2 4.07Å; K772-L814 HydrophobicContact CD-CD2 4.32Å; K772-L814 HydrophobicContact CG-CD1 4.34Å; K772-L814 HydrophobicContact CG-CD2 3.52Å; R810-L814 WeakPolarHBondContact O-CG 3.48Å; R810-L814 PolarHBondContact O-N 3.38Å; R810-L814 VanDerWaalsContact O-N 3.16Å; Q811-L814 PolarHBondContact O-N 3.04Å |
| 815 | Q | 78.2 | Confident | 71.3 | Confident | 149 Ų | 149 | 84.2 Ų | 84.2 | 70% | 0.696 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -74.2 | -28.3 | 172.1 | -74 | 175.5 | 22.1 | 0 | 0 | 113.2 | Q811 Q812 L813 | Q811-Q815 WeakPolarHBondContact O-CG 3.4Å; Q811-Q815 PolarHBondContact O-N 2.83Å; Q812-Q815 PolarHBondContact O-N 2.93Å; L813-Q815 VanDerWaalsContact C-N 3.28Å; L813-Q815 PolarHBondContact O-N 3.3Å |
| 816 | R | 78.3 | Confident | 69.3 | Low | 154 Ų | 154 | 91 Ų | 91 | 58% | 0.581 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -77.4 | -35.1 | 173.6 | -76.7 | 179.2 | 167.2 | 148.3 | -3.1 | 112.5 | Q812 L813 Y818 | Q812-R816 PolarHBondContact O-N 3Å; Q812-R816 VanDerWaalsContact O-N 3.13Å; L813-R816 PolarHBondContact O-N 2.97Å; L813-R816 VanDerWaalsContact O-N 3.09Å; R816-Y818 PolarHBondContact O-N 2.86Å |
| 817 | G | 78.9 | Confident | 67 | Low | 24 Ų | 24 | 90.8 Ų | 90.8 | 25% | 0.247 | 49% | 0.487 | C | S | . | . | trans | 70.7 | -20.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | I770 L813 | I770-G817 PolarHBondContact N-O 2.9Å; L813-G817 PolarHBondContact O-N 2.96Å | ||
| 818 | Y | 82.7 | Confident | 64.8 | Low | 118 Ų | 118 | 91 Ų | 91 | 46% | 0.463 | 49% | 0.491 | S | S | . | . | B | Isolated β-bridge | trans | -139.9 | 151.3 | 175 | -73.6 | -98.3 | 0 | 0 | 0 | 110.6 | R766 G768 Q769 R816 | R766-Y818 HydrophobicContact CB-CE1 4.18Å; G768-Y818 CarbonylContact O-C 3.59Å; G768-Y818 VanDerWaalsContact O-CA 3.28Å; G768-Y818 WeakPolarHBondContact O-CA 3.49Å; Q769-Y818 HydrophobicContact CB-CD1 3.97Å; Q769-Y818 HydrophobicContact CB-CE1 3.58Å; Q769-Y818 HydrophobicContact CG-CD1 4.47Å; Q769-Y818 HydrophobicContact CG-CE1 3.97Å; Q769-Y818 HydrophobicContact CG-CE2 4.3Å; R816-Y818 PolarHBondContact O-N 2.86Å |
| 819 | L | 79.7 | Confident | 62.5 | Low | 33 Ų | 33 | 91.9 Ų | 91.9 | 17% | 0.173 | 50% | 0.498 | C | S | . | . | trans | -122.6 | 133.3 | 165.9 | -78.8 | 178.2 | 0 | 0 | 0 | 109.3 | V742 G768 I770 L813 | V742-L819 HydrophobicContact CG2-CB 4.37Å; G768-L819 VanDerWaalsContact CA-O 3.27Å; G768-L819 WeakPolarHBondContact CA-O 3.29Å; G768-L819 PolarHBondContact O-N 3.38Å; I770-L819 HydrophobicContact CD1-CB 4.21Å; I770-L819 HydrophobicContact CD1-CD1 3.67Å; I770-L819 HydrophobicContact CD1-CG 3.71Å; I770-L819 HydrophobicContact CG1-CG 4.28Å; L813-L819 HydrophobicContact CD2-CD1 4.04Å; L813-L819 HydrophobicContact CD2-CD2 3.88Å; L813-L819 HydrophobicContact CD2-CG 4.2Å | ||
| 820 | S | 59.6 | Low | 60.2 | Low | 73 Ų | 73 | 102.5 Ų | 102.5 | 51% | 0.51 | 53% | 0.533 | S | S | . | . | trans | -71.2 | 141.2 | 172 | -54.8 | 0 | 0 | 0 | 0 | 110.8 | D822 I823 | S820-D822 PolarHBondContact O-N 2.83Å; S820-I823 PolarHBondContact O-N 2.9Å | ||
| 821 | P | 56.1 | Low | 57.7 | Low | 72 Ų | 72 | 106.3 Ų | 106.3 | 47% | 0.468 | 56% | 0.562 | S | S | . | * | G | 310 helix | trans | -53.4 | -28.5 | 177.4 | -29.5 | 36.4 | 0 | 0 | 0 | 114.8 | I823 L824 L825 | P821-I823 PolarHBondContact O-N 3.26Å; P821-I823 VanDerWaalsContact O-N 3.08Å; P821-L824 WeakPolarHBondContact O-CB 3.36Å; P821-L824 PolarHBondContact O-N 2.82Å; P821-L825 PolarHBondContact O-N 3.13Å |
| 822 | D | 45.2 | Very low | 55.5 | Low | 130 Ų | 130 | 107.9 Ų | 107.9 | 70% | 0.695 | 58% | 0.58 | S | S | * | * | G | 310 helix | trans | -57.9 | -23.9 | -179.6 | -52.5 | -60.5 | 0 | 0 | 0 | 114.4 | S820 | S820-D822 PolarHBondContact O-N 2.83Š|
| 823 | I | 53.2 | Low | 53.2 | Low | 131 Ų | 131 | 105.9 Ų | 105.9 | 67% | 0.672 | 59% | 0.587 | S | S | * | * | G | 310 helix | trans | -86.5 | -16.2 | 178 | -63.1 | -179.5 | 0 | 0 | 0 | 111.9 | S820 P821 | S820-I823 PolarHBondContact O-N 2.9Å; P821-I823 PolarHBondContact O-N 3.26Å; P821-I823 VanDerWaalsContact O-N 3.08Å |
| 824 | L | 51.5 | Low | 50.9 | Low | 95 Ų | 95 | 111 Ų | 111 | 50% | 0.497 | 62% | 0.622 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.5 | -12.6 | 175.4 | -136.3 | 162.8 | 0 | 0 | 0 | 111.9 | V742 L744 P821 E826 | V742-L824 HydrophobicContact CG1-CD1 3.92Å; L744-L824 HydrophobicContact CD2-CD1 4.46Å; P821-L824 WeakPolarHBondContact O-CB 3.36Å; P821-L824 PolarHBondContact O-N 2.82Å; L824-E826 PolarHBondContact O-N 2.97Å |
| 825 | L | 42.1 | Very low | 48.6 | Very low | 123 Ų | 123 | 112.2 Ų | 112.2 | 64% | 0.644 | 63% | 0.633 | S | S | * | * | trans | -76.3 | -14.2 | -167.6 | -170.5 | 55.6 | 0 | 0 | 0 | 115.3 | P821 G827 | P821-L825 PolarHBondContact O-N 3.13Å; L825-G827 PolarHBondContact O-N 2.77Å | ||
| 826 | E | 31.8 | Very low | 46.6 | Very low | 206 Ų | 206 | 110.2 Ų | 110.2 | 96% | 0.963 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | 42.9 | 168.6 | -156.7 | 170.8 | -141.6 | 0 | 0 | 111.1 | L824 | L824-E826 PolarHBondContact O-N 2.97Š|
| 827 | G | 32.9 | Very low | 44.4 | Very low | 53 Ų | 53 | 112.5 Ų | 112.5 | 55% | 0.546 | 65% | 0.647 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -157.7 | 20.9 | -157.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | L825 | L825-G827 PolarHBondContact O-N 2.77Š|
| 828 | S | 29.5 | Very low | 42.1 | Very low | 112 Ų | 112 | 114.9 Ų | 114.9 | 78% | 0.783 | 66% | 0.658 | S | S | * | * | trans | 84.3 | 149.5 | 172.8 | -157.1 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 829 | A | 30.7 | Very low | 39.8 | Very low | 82 Ų | 82 | 119.3 Ų | 119.3 | 68% | 0.678 | 67% | 0.674 | S | S | * | * | trans | 45.9 | 112 | 159.2 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 830 | R | 32.1 | Very low | 37.3 | Very low | 240 Ų | 240 | 124.9 Ų | 124.9 | 91% | 0.906 | 69% | 0.693 | S | S | * | * | trans | -78.5 | 128.5 | 148.3 | -78.1 | 175.6 | 159.1 | -169.2 | -6.1 | 110 | ||||
| 831 | T | 27.9 | Very low | 35.9 | Very low | 131 Ų | 131 | 124.5 Ų | 124.5 | 80% | 0.804 | 69% | 0.69 | S | S | * | * | trans | -141.1 | 111.6 | 155.9 | 39.1 | 0 | 0 | 0 | 0 | 110.1 | G833 | T831-G833 PolarHBondContact O-N 2.94Š| ||
| 832 | T | 31 | Very low | 34.8 | Very low | 155 Ų | 155 | 128.2 Ų | 128.2 | 95% | 0.951 | 70% | 0.699 | S | S | * | * | trans | -85.6 | 100 | 172.7 | 46.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 833 | G | 31.8 | Very low | 34 | Very low | 61 Ų | 61 | 130.5 Ų | 130.5 | 63% | 0.629 | 70% | 0.703 | S | S | * | * | trans | -159 | 158.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | T831 | T831-G833 PolarHBondContact O-N 2.94Š| ||
| 834 | P | 34.9 | Very low | 32.8 | Very low | 126 Ų | 126 | 126.1 Ų | 126.1 | 82% | 0.818 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 150.3 | -178 | 30.5 | -35.1 | 0 | 0 | 0 | 112.3 | ||
| 835 | P | 32.3 | Very low | 31.6 | Very low | 89 Ų | 89 | 125.3 Ų | 125.3 | 58% | 0.578 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 143.2 | -168.8 | 30 | -35.9 | 0 | 0 | 0 | 114.2 | ||
| 836 | P | 36.9 | Very low | 31 | Very low | 107 Ų | 107 | 122.8 Ų | 122.8 | 70% | 0.695 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 153.6 | 170.8 | 30.8 | -34.6 | 0 | 0 | 0 | 112.2 | N797 | N797-P836 PolarHBondContact ND2-O 3.39Š|
| 837 | K | 31 | Very low | 30.8 | Very low | 201 Ų | 201 | 116.6 Ų | 116.6 | 87% | 0.874 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 151 | -179.6 | -79 | -178.9 | 177.1 | 178.8 | 0 | 112.6 | ||
| 838 | P | 31.8 | Very low | 30.6 | Very low | 74 Ų | 74 | 117 Ų | 117 | 48% | 0.481 | 65% | 0.649 | S | S | . | * | P | Polyproline II helix | trans | -76.6 | 145.2 | -161.8 | 29.3 | -36.5 | 0 | 0 | 0 | 114.7 | ||
| 839 | R | 33.2 | Very low | 31.2 | Very low | 211 Ų | 211 | 115.9 Ų | 115.9 | 80% | 0.796 | 64% | 0.639 | S | S | * | * | trans | -120.1 | 95.3 | 164.6 | -90.7 | -176.4 | 169.1 | 166.1 | -0.9 | 111.4 | ||||
| 840 | R | 28.5 | Very low | 31.1 | Very low | 150 Ų | 150 | 116.3 Ų | 116.3 | 57% | 0.566 | 64% | 0.642 | S | S | * | * | trans | 14.5 | 112.5 | 143.8 | 162.6 | 161.2 | -76.8 | -149.5 | -2.2 | 117.4 | A779 D780 | A779-R840 WeakPolarHBondContact O-CA 3.42Å; A779-R840 WeakPolarHBondContact O-CB 3.24Å; A779-R840 WeakPolarHBondContact O-CD 3.26Å; A779-R840 WeakPolarHBondContact O-CG 3.41Å; A779-R840 PolarHBondContact O-NE 3.35Å; D780-R840 IonicContact OD1-CZ 3.25Å; D780-R840 IonicContact OD1-NE 2.65Å; D780-R840 PolarHBondContact OD1-NE 2.84Å; D780-R840 IonicContact OD1-NH2 3.66Å; D780-R840 PolarHBondContact OD1-NH2 3.12Å; D780-R840 IonicContact OD2-NH2 3.75Å | ||
| 841 | S | 30.6 | Very low | 31.1 | Very low | 65 Ų | 65 | 113.4 Ų | 113.4 | 46% | 0.455 | 64% | 0.638 | S | S | . | * | trans | 127.9 | 129.7 | 148.3 | -57.7 | 0 | 0 | 0 | 0 | 115.1 | K777 | K777-S841 WeakPolarHBondContact CE-O 3.43Å; K777-S841 PolarHBondContact NZ-O 3.36Å | ||
| 842 | K | 32 | Very low | 31.7 | Very low | 151 Ų | 151 | 111.5 Ų | 111.5 | 66% | 0.657 | 63% | 0.629 | S | S | * | * | trans | 27.5 | 149 | 132.5 | -98.3 | 159.8 | -179.5 | 153.5 | 0 | 120.9 | ||||
| 843 | K | 27.7 | Very low | 31.5 | Very low | 177 Ų | 177 | 109.7 Ų | 109.7 | 77% | 0.77 | 62% | 0.621 | S | S | * | * | cis | -156.9 | 164.9 | 24.5 | -167.9 | -177.5 | 164.5 | -160.9 | 0 | 113.3 | D776 | D776-K843 VanDerWaalsContact OD1-C 3.29Å; D776-K843 WeakPolarHBondContact OD2-CA 3.46Å | ||
| 844 | A | 28 | Very low | 31.9 | Very low | 40 Ų | 40 | 113 Ų | 113 | 33% | 0.331 | 63% | 0.631 | S | S | . | * | trans | -53.1 | 141.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 119.2 | D776 | D776-A844 VanDerWaalsContact CG-N 3.25Å; D776-A844 WeakPolarHBondContact OD1-CA 3.12Å; D776-A844 WeakPolarHBondContact OD1-CB 3.33Å; D776-A844 PolarHBondContact OD1-N 3.22Å; D776-A844 PolarHBondContact OD2-N 2.96Å | ||
| 845 | E | 27.1 | Very low | 31.4 | Very low | 78 Ų | 78 | 110.3 Ų | 110.3 | 36% | 0.364 | 63% | 0.627 | S | S | . | * | 64.5 | 124.9 | 124.7 | -71.9 | -177.1 | 108.1 | 0 | 0 | 120.6 | P737 R739 | P737-E845 WeakPolarHBondContact CB-OE1 3.5Å; P737-E845 VanDerWaalsContact CG-OE1 3.28Å; P737-E845 WeakPolarHBondContact CG-OE1 3.29Å; P737-E845 WeakPolarHBondContact CG-OE2 3.39Å; R739-E845 HydrophobicContact CG-CG 4.32Å | |||
| 846 | S | 28.5 | Very low | 31.5 | Very low | 70 Ų | 70 | 112.1 Ų | 112.1 | 49% | 0.49 | 64% | 0.639 | S | S | . | * | 92.9 | 132.1 | 56.4 | -171.4 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 847 | E | 28.4 | Very low | 31.7 | Very low | 75 Ų | 75 | 113.1 Ų | 113.1 | 35% | 0.35 | 65% | 0.645 | S | S | . | * | cis | -150.6 | -167.4 | 9.8 | -132.6 | 163.9 | -155.4 | 0 | 0 | 112.5 | A803 V804 D805 R810 | A803-E847 WeakPolarHBondContact CA-OE1 3.47Å; A803-E847 HydrophobicContact CB-CG 4.26Å; V804-E847 PolarHBondContact N-OE1 3.48Å; D805-E847 VanDerWaalsContact CA-OE2 3.23Å; D805-E847 WeakPolarHBondContact CA-OE2 3.49Å; D805-E847 PolarHBondContact N-OE2 2.91Å; D805-E847 WeakPolarHBondContact OD1-CB 3.49Å; D805-E847 VanDerWaalsContact OD1-CG 3.26Å; D805-E847 WeakPolarHBondContact OD1-CG 3.47Å; R810-E847 IonicContact CZ-OE1 2.65Å; R810-E847 IonicContact CZ-OE2 2.72Å; R810-E847 IonicContact NH2-OE1 3.34Å; R810-E847 PolarHBondContact NH2-OE1 3.07Å; R810-E847 IonicContact NH2-OE2 2.7Å; R810-E847 PolarHBondContact NH2-OE2 3.27Å | ||
| 848 | G | 27.9 | Very low | 31.5 | Very low | 63 Ų | 63 | 113.2 Ų | 113.2 | 65% | 0.649 | 65% | 0.645 | S | S | * | * | trans | -108.5 | -127.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | D805 | D805-G848 WeakPolarHBondContact OD1-CA 3.4Å; D805-G848 PolarHBondContact OD1-N 3.32Å | ||
| 849 | P | 42.1 | Very low | 31.7 | Very low | 88 Ų | 88 | 118 Ų | 118 | 57% | 0.571 | 67% | 0.666 | S | S | * | * | cis | -139.5 | -178.2 | -3.1 | 46.3 | -32.6 | 0 | 0 | 0 | 117.5 | D805 | D805-P849 HydrophobicContact CB-CB 4.49Å; D805-P849 HydrophobicContact CB-CG 3.8Å; D805-P849 VanDerWaalsContact CG-CB 3.47Å; D805-P849 WeakPolarHBondContact OD1-CB 3.39Å; D805-P849 WeakPolarHBondContact OD1-CD 3.43Å; D805-P849 WeakPolarHBondContact OD2-CB 3.34Å; D805-P849 VanDerWaalsContact OD2-CG 3.24Å; D805-P849 WeakPolarHBondContact OD2-CG 3.23Å | ||
| 850 | A | 29.2 | Very low | 31.4 | Very low | 90 Ų | 90 | 114.5 Ų | 114.5 | 74% | 0.744 | 67% | 0.668 | S | S | * | * | trans | 62.8 | 144.9 | 140.7 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 851 | Q | 32.3 | Very low | 31.8 | Very low | 179 Ų | 179 | 113.3 Ų | 113.3 | 84% | 0.836 | 68% | 0.679 | S | S | * | * | cis | 179.7 | -162.2 | -17.3 | -128.8 | -172.9 | -0.5 | 0 | 0 | 106.6 | ||||
| 852 | P | 40.4 | Very low | 32 | Very low | 92 Ų | 92 | 116 Ų | 116 | 60% | 0.597 | 70% | 0.698 | S | S | * | * | cis | -130.7 | -171.1 | -39.4 | 40.4 | -24 | 0 | 0 | 0 | 113.8 | ||||
| 853 | C | 26.3 | Very low | 32.2 | Very low | 116 Ų | 116 | 112.7 Ų | 112.7 | 78% | 0.784 | 70% | 0.699 | S | S | * | * | trans | 67.5 | 152.1 | 153.7 | -63.1 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 854 | P | 41.7 | Very low | 32.8 | Very low | 130 Ų | 130 | 111.8 Ų | 111.8 | 84% | 0.844 | 70% | 0.702 | S | S | * | * | -135.3 | 153.3 | -54.8 | 36.8 | -20.6 | 0 | 0 | 0 | 113.8 | |||||
| 855 | G | 24.6 | Very low | 33.7 | Very low | 71 Ų | 71 | 116.9 Ų | 116.9 | 73% | 0.732 | 72% | 0.724 | S | S | * | * | trans | -179.7 | 159 | 173.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 856 | P | 33.8 | Very low | 35 | Very low | 127 Ų | 127 | 118.6 Ų | 118.6 | 83% | 0.825 | 73% | 0.73 | S | S | * | * | trans | -76.1 | 162.6 | -172.3 | 31.1 | -36.1 | 0 | 0 | 0 | 114.6 | ||||
| 857 | P | 41.5 | Very low | 37.1 | Very low | 127 Ų | 127 | 118.8 Ų | 118.8 | 83% | 0.825 | 74% | 0.735 | S | S | * | * | trans | -78.5 | 135.7 | -150.3 | 28.9 | -36.5 | 0 | 0 | 0 | 115.5 | ||||
| 858 | K | 26.7 | Very low | 39.7 | Very low | 203 Ų | 203 | 118.8 Ų | 118.8 | 88% | 0.883 | 74% | 0.742 | S | S | * | * | trans | -136.4 | 147.1 | 154.8 | -78.4 | -169.8 | 174.7 | -180 | 0 | 110.2 | ||||
| 859 | L | 34.5 | Very low | 42.5 | Very low | 175 Ų | 175 | 117.9 Ų | 117.9 | 92% | 0.916 | 72% | 0.721 | S | S | * | * | trans | -53.8 | 131.3 | -175 | -63.2 | 160.2 | 0 | 0 | 0 | 112.3 | P861 | L859-P861 WeakPolarHBondContact O-CD 3.49Š| ||
| 860 | V | 26.8 | Very low | 44.8 | Very low | 138 Ų | 138 | 116.5 Ų | 116.5 | 84% | 0.836 | 71% | 0.713 | S | S | * | * | trans | -102 | 111 | 170.6 | -83.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 861 | P | 37.2 | Very low | 47.7 | Very low | 124 Ų | 124 | 112.9 Ų | 112.9 | 81% | 0.805 | 68% | 0.681 | S | S | * | * | trans | -90.3 | 103.6 | 171.3 | 33 | -29.7 | 0 | 0 | 0 | 110.5 | L859 | L859-P861 WeakPolarHBondContact O-CD 3.49Š| ||
| 862 | S | 36.2 | Very low | 50.5 | Low | 122 Ų | 122 | 107.1 Ų | 107.1 | 85% | 0.853 | 66% | 0.658 | S | S | * | * | trans | -142.3 | 88.4 | 172.3 | -77.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 863 | A | 34.9 | Very low | 53 | Low | 81 Ų | 81 | 102.8 Ų | 102.8 | 67% | 0.669 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -135 | 149.9 | 152.2 | 0 | 0 | 0 | 0 | 0 | 106.9 | L865 | A863-L865 PolarHBondContact O-N 2.95Š|
| 864 | D | 41.5 | Very low | 55.9 | Low | 158 Ų | 158 | 99.1 Ų | 99.1 | 85% | 0.845 | 61% | 0.608 | S | S | * | * | trans | -60 | 106.2 | 177.8 | -81 | -61 | 0 | 0 | 0 | 110.2 | K866 | D864-K866 PolarHBondContact O-N 3.48Š| ||
| 865 | L | 45.5 | Very low | 58.2 | Low | 148 Ų | 148 | 98.9 Ų | 98.9 | 78% | 0.775 | 59% | 0.594 | S | S | * | * | trans | -74.6 | 69.9 | 177.7 | -67.2 | -176.1 | 0 | 0 | 0 | 110.7 | A863 A867 | A863-L865 PolarHBondContact O-N 2.95Å; L865-A867 PolarHBondContact O-N 3.01Å | ||
| 866 | K | 56 | Low | 61.2 | Low | 114 Ų | 114 | 99.2 Ų | 99.2 | 50% | 0.496 | 58% | 0.579 | S | S | . | * | trans | -48.6 | 111 | 148.7 | -171.4 | -172.2 | 178 | -155.2 | 0 | 106.2 | D864 H869 G904 | D864-K866 PolarHBondContact O-N 3.48Å; K866-H869 PolarHBondContact NZ-NE2 3.28Å; K866-G904 WeakPolarHBondContact CD-O 3.34Å | ||
| 867 | A | 71.9 | Confident | 63.8 | Low | 73 Ų | 73 | 93.8 Ų | 93.8 | 60% | 0.603 | 54% | 0.542 | S | S | * | . | trans | -52.7 | 136.7 | -166.8 | 0 | 0 | 0 | 0 | 0 | 111 | L865 H869 | L865-A867 PolarHBondContact O-N 3.01Å; A867-H869 PolarHBondContact O-CD2 2.76Å; A867-H869 PolarHBondContact O-N 2.92Å; A867-H869 VanDerWaalsContact O-N 3.17Å | ||
| 868 | P | 83.5 | Confident | 65.9 | Low | 75 Ų | 75 | 90.3 Ų | 90.3 | 49% | 0.487 | 52% | 0.517 | S | S | . | . | trans | -53.3 | 123.8 | -174 | -27.2 | 35.1 | 0 | 0 | 0 | 111.1 | T901 V902 F903 | P868-T901 HydrophobicContact CB-CG2 3.84Å; P868-V902 CarbonylContact C-O 3.58Å; P868-V902 VanDerWaalsContact CA-O 3.23Å; P868-V902 WeakPolarHBondContact CA-O 3.31Å; P868-F903 HydrophobicContact CB-CD1 3.89Å; P868-F903 HydrophobicContact CB-CE1 3.92Å; P868-F903 HydrophobicContact CG-CD1 3.6Å; P868-F903 HydrophobicContact CG-CE1 3.78Å | ||
| 869 | H | 85 | Confident | 68.7 | Low | 44 Ų | 44 | 80.9 Ų | 80.9 | 20% | 0.204 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 127.9 | -171.3 | 55.6 | 79.4 | 0 | 0 | 0 | 110.2 | K866 A867 M871 V902 G904 Y912 | K866-H869 PolarHBondContact NZ-NE2 3.28Å; A867-H869 PolarHBondContact O-CD2 2.76Å; A867-H869 PolarHBondContact O-N 2.92Å; A867-H869 VanDerWaalsContact O-N 3.17Å; H869-M871 PolarHBondContact CE1-SD 3.38Å; H869-V902 WeakPolarHBondContact CE1-CG1 3.41Å; H869-V902 PolarHBondContact N-O 3.24Å; H869-V902 WeakPolarHBondContact O-CB 3.23Å; H869-V902 PolarHBondContact O-N 3.04Å; H869-G904 PolarHBondContact NE2-O 2.93Å; H869-Y912 AromaticContact CE1-CE1 3.76Å |
| 870 | S | 90.3 | Very high | 70.7 | Confident | 59 Ų | 59 | 79 Ų | 79 | 41% | 0.413 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 132.4 | 179.6 | -50.8 | 0 | 0 | 0 | 0 | 110.5 | I900 P931 | S870-I900 CarbonylContact C-O 3.59Å; S870-I900 WeakPolarHBondContact CA-O 3.48Å; S870-P931 VanDerWaalsContact O-CD 3.27Å; S870-P931 WeakPolarHBondContact O-CD 3.49Å; S870-P931 VanDerWaalsContact O-CG 3.23Å; S870-P931 WeakPolarHBondContact O-CG 3.42Å |
| 871 | M | 90.1 | Very high | 73.1 | Confident | 14 Ų | 14 | 80.1 Ų | 80.1 | 7% | 0.069 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 155.8 | 172.1 | -60.8 | -176.7 | 69.5 | 0 | 0 | 109.2 | H869 I900 V902 Y912 L928 | H869-M871 PolarHBondContact CE1-SD 3.38Å; M871-I900 PolarHBondContact N-O 2.68Å; M871-I900 PolarHBondContact O-N 3Å; M871-V902 HydrophobicContact CG-CG2 4.26Å; M871-V902 HydrophobicContact SD-CB 4.37Å; M871-V902 HydrophobicContact SD-CG2 3.95Å; M871-Y912 HydrophobicContact CE-CE2 3.93Å; M871-Y912 HydrophobicContact SD-CD2 4.25Å; M871-Y912 HydrophobicContact SD-CE2 3.79Å; M871-L928 HydrophobicContact CB-CB 4.19Å; M871-L928 HydrophobicContact CB-CD1 4.03Å; M871-L928 HydrophobicContact CE-CB 3.8Å; M871-L928 HydrophobicContact CE-CD1 4.32Å; M871-L928 HydrophobicContact SD-CD1 4.02Å |
| 872 | V | 91.9 | Very high | 74.6 | Confident | 58 Ų | 58 | 77.2 Ų | 77.2 | 35% | 0.352 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 129.5 | -177 | -175 | 0 | 0 | 0 | 0 | 109.2 | A874 D898 L928 E929 | V872-A874 PolarHBondContact O-N 3.03Å; V872-D898 WeakPolarHBondContact CA-O 3.38Å; V872-L928 CarbonylContact O-C 3.56Å; V872-L928 WeakPolarHBondContact O-CA 3.49Å; V872-E929 PolarHBondContact N-O 3.39Å; V872-E929 PolarHBondContact O-N 3.48Å |
| 873 | A | 92.5 | Very high | 76.3 | Confident | 2 Ų | 2 | 72.3 Ų | 72.3 | 2% | 0.017 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 118.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | F894 R895 A896 G897 D898 I900 F927 | A873-F894 HydrophobicContact CB-CD2 3.45Å; A873-F894 VanDerWaalsContact CB-CD2 3.45Å; A873-F894 HydrophobicContact CB-CE2 3.8Å; A873-F894 HydrophobicContact CB-CG 4.44Å; A873-R895 WeakPolarHBondContact CB-O 3.47Å; A873-A896 CarbonylContact O-C 3.58Å; A873-A896 WeakPolarHBondContact O-CA 3.42Å; A873-G897 PolarHBondContact O-N 3.13Å; A873-D898 HydrophobicContact CB-CB 4.35Å; A873-D898 PolarHBondContact N-O 3.26Å; A873-I900 HydrophobicContact CB-CD1 4.17Å; A873-F927 CarbonylContact C-O 3.57Å; A873-F927 WeakPolarHBondContact CA-O 3.48Å |
| 874 | A | 88.1 | Confident | 77.6 | Confident | 38 Ų | 38 | 74.2 Ų | 74.2 | 31% | 0.314 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -80.5 | -23.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | V872 F927 E929 | V872-A874 PolarHBondContact O-N 3.03Å; A874-F927 PolarHBondContact N-O 3.13Å; A874-E929 HydrophobicContact CB-CB 4.23Å |
| 875 | F | 88.9 | Confident | 78.8 | Confident | 125 Ų | 125 | 70.3 Ų | 70.3 | 55% | 0.548 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -142 | 159.5 | -176.9 | -52.9 | -70.6 | 0 | 0 | 0 | 110.3 | F927 | F875-F927 HydrophobicContact CB-CD1 3.92Å; F875-F927 HydrophobicContact CB-CE1 4.4Å |
| 876 | D | 88.3 | Confident | 79.4 | Confident | 79 Ų | 79 | 71.8 Ų | 71.8 | 42% | 0.422 | 40% | 0.397 | S | S | . | . | trans | -67.4 | 143.2 | 169.3 | -73.2 | -5.5 | 0 | 0 | 0 | 110.1 | R895 A896 | D876-R895 VanDerWaalsContact OD1-CA 3.28Å; D876-R895 WeakPolarHBondContact OD1-CA 3.47Å; D876-R895 WeakPolarHBondContact OD1-CB 3.44Å; D876-R895 IonicContact OD1-CZ 3.24Å; D876-R895 IonicContact OD1-NE 2.89Å; D876-R895 IonicContact OD1-NH2 2.87Å; D876-R895 PolarHBondContact OD1-NH2 3.24Å; D876-R895 IonicContact OD2-CZ 2.74Å; D876-R895 IonicContact OD2-NE 2.69Å; D876-R895 IonicContact OD2-NH2 3.82Å; D876-R895 PolarHBondContact OD2-NH2 2.86Å; D876-A896 PolarHBondContact OD1-N 3.04Å | ||
| 877 | Y | 89.5 | Confident | 79.8 | Confident | 12 Ų | 12 | 72.1 Ų | 72.1 | 5% | 0.047 | 40% | 0.404 | C | S | . | . | B | Isolated β-bridge | trans | -137.4 | 118 | 174.6 | -169.6 | -110.8 | 0 | 0 | 0 | 111.4 | P879 E891 F894 P924 F927 | Y877-P879 HydrophobicContact CD1-CG 4.24Å; Y877-P879 HydrophobicContact CE1-CB 4.48Å; Y877-P879 HydrophobicContact CE1-CG 3.93Å; Y877-E891 WeakPolarHBondContact CE1-OE2 3.49Å; Y877-E891 PolarHBondContact OH-OE2 2.9Å; Y877-F894 VanDerWaalsContact CB-CE2 3.45Å; Y877-F894 HydrophobicContact CD1-CD1 4.34Å; Y877-F894 AromaticContact CD1-CE1 3.67Å; Y877-F894 HydrophobicContact CD1-CE1 3.67Å; Y877-F894 HydrophobicContact CD1-CZ 4.03Å; Y877-F894 AromaticContact CG-CE1 3.93Å; Y877-F894 HydrophobicContact CG-CE1 3.93Å; Y877-F894 HydrophobicContact CG-CE2 4.42Å; Y877-F894 AromaticContact CG-CZ 3.81Å; Y877-F894 HydrophobicContact CG-CZ 3.81Å; Y877-F894 PolarHBondContact N-O 3.36Å; Y877-F894 PolarHBondContact O-N 3.09Å; Y877-F894 VanDerWaalsContact O-O 3.08Å; Y877-P924 HydrophobicContact CD1-CG 4.13Å; Y877-P924 HydrophobicContact CD2-CG 4.13Å; Y877-P924 HydrophobicContact CE1-CG 3.87Å; Y877-P924 HydrophobicContact CE2-CG 3.87Å; Y877-P924 HydrophobicContact CG-CG 4.25Å; Y877-F927 AromaticContact CD2-CD1 3.87Å; Y877-F927 HydrophobicContact CD2-CD1 3.87Å; Y877-F927 HydrophobicContact CD2-CD2 4.3Å; Y877-F927 AromaticContact CD2-CE1 3.6Å; Y877-F927 HydrophobicContact CD2-CE1 3.6Å; Y877-F927 HydrophobicContact CD2-CE2 4.05Å; Y877-F927 HydrophobicContact CD2-CG 4.24Å; Y877-F927 AromaticContact CD2-CZ 3.7Å; Y877-F927 HydrophobicContact CD2-CZ 3.7Å; Y877-F927 HydrophobicContact CE2-CE1 4.39Å; Y877-F927 HydrophobicContact CE2-CE2 4.13Å; Y877-F927 HydrophobicContact CE2-CZ 4.02Å; Y877-F927 HydrophobicContact CG-CD1 4.35Å; Y877-F927 HydrophobicContact CG-CE1 4.46Å |
| 878 | N | 85.6 | Confident | 79.7 | Confident | 55 Ų | 55 | 69.9 Ų | 69.9 | 29% | 0.294 | 38% | 0.383 | S | S | . | . | trans | -115.1 | 111.3 | 169.8 | -179 | 4.5 | 0 | 0 | 0 | 108.8 | Q880 E881 S882 | N878-Q880 PolarHBondContact O-N 2.77Å; N878-Q880 WeakPolarHBondContact OD1-CB 3.41Å; N878-Q880 PolarHBondContact OD1-N 3.47Å; N878-Q880 VanDerWaalsContact OD1-N 3.16Å; N878-E881 HydrophobicContact CB-CB 4.3Å; N878-E881 PolarHBondContact ND2-OE1 2.87Å; N878-E881 PolarHBondContact O-N 2.98Å; N878-S882 VanDerWaalsContact O-CB 3.29Å; N878-S882 WeakPolarHBondContact O-CB 3.46Å; N878-S882 PolarHBondContact O-N 3.3Å; N878-S882 PolarHBondContact O-OG 2.67Å | ||
| 879 | P | 85.3 | Confident | 79.3 | Confident | 5 Ų | 5 | 75.2 Ų | 75.2 | 3% | 0.032 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -51.6 | -38.4 | 177.8 | -28.1 | 34.7 | 0 | 0 | 0 | 113.4 | Y877 E881 S883 V888 E891 P893 | Y877-P879 HydrophobicContact CD1-CG 4.24Å; Y877-P879 HydrophobicContact CE1-CB 4.48Å; Y877-P879 HydrophobicContact CE1-CG 3.93Å; P879-E881 PolarHBondContact O-N 3.25Å; P879-S883 VanDerWaalsContact O-CB 3.24Å; P879-S883 WeakPolarHBondContact O-CB 3.48Å; P879-S883 PolarHBondContact O-N 2.97Å; P879-V888 HydrophobicContact CB-CB 4.15Å; P879-V888 HydrophobicContact CB-CG1 4.46Å; P879-E891 HydrophobicContact CB-CB 3.96Å; P879-E891 HydrophobicContact CG-CB 3.77Å; P879-P893 HydrophobicContact CG-CB 4.48Å |
| 880 | Q | 76.3 | Confident | 79 | Confident | 134 Ų | 134 | 75.4 Ų | 75.4 | 63% | 0.626 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -67.5 | -19.1 | -178.4 | -59.3 | -69.1 | -21.5 | 0 | 0 | 114.1 | N878 V888 | N878-Q880 PolarHBondContact O-N 2.77Å; N878-Q880 WeakPolarHBondContact OD1-CB 3.41Å; N878-Q880 PolarHBondContact OD1-N 3.47Å; N878-Q880 VanDerWaalsContact OD1-N 3.16Å; Q880-V888 VanDerWaalsContact NE2-CG2 3.28Å |
| 881 | E | 76.1 | Confident | 78.9 | Confident | 163 Ų | 163 | 73 Ų | 73 | 76% | 0.762 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -114 | -24.4 | 179.5 | -69.6 | 172.7 | -126.6 | 0 | 0 | 113.1 | N878 P879 | N878-E881 HydrophobicContact CB-CB 4.3Å; N878-E881 PolarHBondContact ND2-OE1 2.87Å; N878-E881 PolarHBondContact O-N 2.98Å; P879-E881 PolarHBondContact O-N 3.25Å |
| 882 | S | 70.3 | Confident | 78.9 | Confident | 62 Ų | 62 | 72.6 Ų | 72.6 | 43% | 0.434 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -119.9 | -18.9 | -166.7 | -59.4 | 0 | 0 | 0 | 0 | 114.6 | N878 | N878-S882 VanDerWaalsContact O-CB 3.29Å; N878-S882 WeakPolarHBondContact O-CB 3.46Å; N878-S882 PolarHBondContact O-N 3.3Å; N878-S882 PolarHBondContact O-OG 2.67Å |
| 883 | S | 71.7 | Confident | 78.8 | Confident | 20 Ų | 20 | 72.8 Ų | 72.8 | 14% | 0.14 | 39% | 0.393 | C | S | . | . | trans | -84 | 134.4 | 175.2 | -171.7 | 0 | 0 | 0 | 0 | 110.9 | P879 N885 E891 | P879-S883 VanDerWaalsContact O-CB 3.24Å; P879-S883 WeakPolarHBondContact O-CB 3.48Å; P879-S883 PolarHBondContact O-N 2.97Å; S883-N885 VanDerWaalsContact C-N 3.29Å; S883-N885 WeakPolarHBondContact OG-CB 3.37Å; S883-N885 PolarHBondContact OG-N 3.27Å; S883-N885 VanDerWaalsContact OG-N 3.09Å; S883-N885 PolarHBondContact OG-ND2 3.39Å; S883-E891 WeakPolarHBondContact CB-OE1 3.49Å; S883-E891 WeakPolarHBondContact CB-OE2 3.46Å; S883-E891 VanDerWaalsContact OG-CD 3.31Å; S883-E891 PolarHBondContact OG-OE1 3.12Å; S883-E891 PolarHBondContact OG-OE2 2.99Å | ||
| 884 | P | 61 | Low | 78.8 | Confident | 121 Ų | 121 | 73.1 Ų | 73.1 | 79% | 0.786 | 39% | 0.394 | S | S | * | . | trans | -86 | 0.6 | 167.7 | 37.3 | -35.6 | 0 | 0 | 0 | 112.8 | ||||
| 885 | N | 67.1 | Low | 78.9 | Confident | 75 Ų | 75 | 78.4 Ų | 78.4 | 40% | 0.401 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -84.5 | 154.4 | -179 | -58.3 | -33.9 | 0 | 0 | 0 | 110.7 | S883 E891 | S883-N885 VanDerWaalsContact C-N 3.29Å; S883-N885 WeakPolarHBondContact OG-CB 3.37Å; S883-N885 PolarHBondContact OG-N 3.27Å; S883-N885 VanDerWaalsContact OG-N 3.09Å; S883-N885 PolarHBondContact OG-ND2 3.39Å; N885-E891 PolarHBondContact ND2-OE1 2.87Å |
| 886 | M | 58.9 | Low | 79 | Confident | 179 Ų | 179 | 74.9 Ų | 74.9 | 88% | 0.882 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -77.4 | -31.5 | 172.9 | -69.6 | 179.7 | 61.3 | 0 | 0 | 111.9 | V888 | M886-V888 PolarHBondContact O-N 3.15Š|
| 887 | D | 63.1 | Low | 78.8 | Confident | 121 Ų | 121 | 73.5 Ų | 73.5 | 65% | 0.647 | 40% | 0.404 | S | S | * | . | trans | -83.4 | 49.1 | -176 | -50.6 | -68.1 | 0 | 0 | 0 | 112.7 | E889 A890 | D887-E889 PolarHBondContact O-N 2.86Å; D887-A890 HydrophobicContact CB-CB 4.41Å; D887-A890 WeakPolarHBondContact O-CB 3.25Å; D887-A890 PolarHBondContact O-N 2.97Å | ||
| 888 | V | 71.4 | Confident | 78.9 | Confident | 27 Ų | 27 | 75.4 Ų | 75.4 | 16% | 0.164 | 42% | 0.415 | C | S | . | . | G | 310 helix | trans | -55.1 | -20.2 | 178.8 | -69 | 0 | 0 | 0 | 0 | 114 | P879 Q880 M886 | P879-V888 HydrophobicContact CB-CB 4.15Å; P879-V888 HydrophobicContact CB-CG1 4.46Å; Q880-V888 VanDerWaalsContact NE2-CG2 3.28Å; M886-V888 PolarHBondContact O-N 3.15Å |
| 889 | E | 73.4 | Confident | 79.2 | Confident | 186 Ų | 186 | 76.9 Ų | 76.9 | 87% | 0.869 | 43% | 0.426 | S | S | * | . | G | 310 helix | trans | -75.8 | -21.1 | 176.4 | -57.3 | -177.7 | 171.8 | 0 | 0 | 113.3 | D887 E891 | D887-E889 PolarHBondContact O-N 2.86Å; E889-E891 VanDerWaalsContact C-N 3.35Å |
| 890 | A | 79.7 | Confident | 79.6 | Confident | 49 Ų | 49 | 76.6 Ų | 76.6 | 41% | 0.405 | 43% | 0.425 | S | S | . | . | G | 310 helix | trans | -85.1 | -9.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | D887 G921 L922 | D887-A890 HydrophobicContact CB-CB 4.41Å; D887-A890 WeakPolarHBondContact O-CB 3.25Å; D887-A890 PolarHBondContact O-N 2.97Å; A890-G921 CarbonylContact O-C 3.54Å; A890-G921 WeakPolarHBondContact O-CA 3.4Å; A890-L922 PolarHBondContact O-N 2.97Å |
| 891 | E | 88.7 | Confident | 80.4 | Confident | 9 Ų | 9 | 72.5 Ų | 72.5 | 4% | 0.042 | 41% | 0.409 | C | S | . | . | B | Isolated β-bridge | trans | -100.1 | 144.5 | -179 | -69.3 | -176.4 | -143 | 0 | 0 | 112.1 | Y877 P879 S883 N885 E889 P893 F911 L922 | Y877-E891 WeakPolarHBondContact CE1-OE2 3.49Å; Y877-E891 PolarHBondContact OH-OE2 2.9Å; P879-E891 HydrophobicContact CB-CB 3.96Å; P879-E891 HydrophobicContact CG-CB 3.77Å; S883-E891 WeakPolarHBondContact CB-OE1 3.49Å; S883-E891 WeakPolarHBondContact CB-OE2 3.46Å; S883-E891 VanDerWaalsContact OG-CD 3.31Å; S883-E891 PolarHBondContact OG-OE1 3.12Å; S883-E891 PolarHBondContact OG-OE2 2.99Å; N885-E891 PolarHBondContact ND2-OE1 2.87Å; E889-E891 VanDerWaalsContact C-N 3.35Å; E891-P893 WeakPolarHBondContact O-CD 3.43Å; E891-F911 HydrophobicContact CG-CE1 4.5Å; E891-L922 WeakPolarHBondContact CA-O 3.27Å; E891-L922 HydrophobicContact CG-CB 4.25Å |
| 892 | L | 89.5 | Confident | 81.1 | Confident | 4 Ų | 4 | 64.7 Ų | 64.7 | 2% | 0.021 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -88.5 | 123 | -175.6 | -163.2 | 66.8 | 0 | 0 | 0 | 110.7 | F894 I900 L916 Q919 L922 V923 | L892-F894 WeakPolarHBondContact O-CD1 3.41Å; L892-F894 WeakPolarHBondContact O-CE1 3.38Å; L892-I900 HydrophobicContact CD2-CG2 4.18Å; L892-L916 HydrophobicContact CD2-CB 3.7Å; L892-L916 HydrophobicContact CG-CB 4.3Å; L892-Q919 HydrophobicContact CD1-CB 3.8Å; L892-Q919 WeakPolarHBondContact CD1-O 3.45Å; L892-L922 PolarHBondContact N-O 3.42Å; L892-V923 HydrophobicContact CB-CG2 3.92Å; L892-V923 HydrophobicContact CD2-CG2 3.7Å |
| 893 | P | 90.3 | Very high | 82 | Confident | 63 Ų | 63 | 64.3 Ų | 64.3 | 41% | 0.409 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -75.8 | 137.9 | 169 | 30.4 | -33.1 | 0 | 0 | 0 | 110.9 | P879 E891 | P879-P893 HydrophobicContact CG-CB 4.48Å; E891-P893 WeakPolarHBondContact O-CD 3.43Å |
| 894 | F | 91.9 | Very high | 82.6 | Confident | 8 Ų | 8 | 64 Ų | 64 | 4% | 0.035 | 36% | 0.363 | C | S | . | . | B | Isolated β-bridge | trans | -156.8 | 166.8 | 179.2 | 57.6 | -96.9 | 0 | 0 | 0 | 112.7 | A873 Y877 L892 D898 I900 L916 V923 P924 F927 L928 | A873-F894 HydrophobicContact CB-CD2 3.45Å; A873-F894 VanDerWaalsContact CB-CD2 3.45Å; A873-F894 HydrophobicContact CB-CE2 3.8Å; A873-F894 HydrophobicContact CB-CG 4.44Å; Y877-F894 VanDerWaalsContact CB-CE2 3.45Å; Y877-F894 HydrophobicContact CD1-CD1 4.34Å; Y877-F894 AromaticContact CD1-CE1 3.67Å; Y877-F894 HydrophobicContact CD1-CE1 3.67Å; Y877-F894 HydrophobicContact CD1-CZ 4.03Å; Y877-F894 AromaticContact CG-CE1 3.93Å; Y877-F894 HydrophobicContact CG-CE1 3.93Å; Y877-F894 HydrophobicContact CG-CE2 4.42Å; Y877-F894 AromaticContact CG-CZ 3.81Å; Y877-F894 HydrophobicContact CG-CZ 3.81Å; Y877-F894 PolarHBondContact N-O 3.36Å; Y877-F894 PolarHBondContact O-N 3.09Å; Y877-F894 VanDerWaalsContact O-O 3.08Å; L892-F894 WeakPolarHBondContact O-CD1 3.41Å; L892-F894 WeakPolarHBondContact O-CE1 3.38Å; F894-D898 HydrophobicContact CB-CB 4.44Å; F894-I900 HydrophobicContact CB-CD1 3.85Å; F894-I900 HydrophobicContact CD1-CD1 3.75Å; F894-I900 HydrophobicContact CD2-CD1 3.88Å; F894-I900 HydrophobicContact CE1-CD1 4.26Å; F894-I900 HydrophobicContact CE2-CD1 4.34Å; F894-I900 HydrophobicContact CG-CD1 3.55Å; F894-L916 HydrophobicContact CB-CD2 3.51Å; F894-V923 HydrophobicContact CD1-CG1 4.19Å; F894-V923 HydrophobicContact CE1-CG1 3.56Å; F894-V923 HydrophobicContact CZ-CG1 4.04Å; F894-P924 HydrophobicContact CZ-CG 4.42Å; F894-F927 HydrophobicContact CE2-CB 3.84Å; F894-F927 HydrophobicContact CZ-CB 3.7Å; F894-F927 HydrophobicContact CZ-CG 4.38Å; F894-L928 HydrophobicContact CE2-CD2 4.43Å; F894-L928 HydrophobicContact CZ-CD2 4.38Å |
| 895 | R | 90.4 | Very high | 83.4 | Confident | 149 Ų | 149 | 60.5 Ų | 60.5 | 56% | 0.562 | 35% | 0.348 | S | S | * | . | trans | -121.5 | 154.3 | -177.7 | -59.3 | -156.6 | 66.3 | -98.6 | -15 | 112.3 | A873 D876 G897 D898 | A873-R895 WeakPolarHBondContact CB-O 3.47Å; D876-R895 VanDerWaalsContact OD1-CA 3.28Å; D876-R895 WeakPolarHBondContact OD1-CA 3.47Å; D876-R895 WeakPolarHBondContact OD1-CB 3.44Å; D876-R895 IonicContact OD1-CZ 3.24Å; D876-R895 IonicContact OD1-NE 2.89Å; D876-R895 IonicContact OD1-NH2 2.87Å; D876-R895 PolarHBondContact OD1-NH2 3.24Å; D876-R895 IonicContact OD2-CZ 2.74Å; D876-R895 IonicContact OD2-NE 2.69Å; D876-R895 IonicContact OD2-NH2 3.82Å; D876-R895 PolarHBondContact OD2-NH2 2.86Å; R895-G897 PolarHBondContact O-N 2.84Å; R895-D898 PolarHBondContact N-OD2 3.1Å; R895-D898 VanDerWaalsContact O-CB 3.24Å; R895-D898 WeakPolarHBondContact O-CB 3.49Å; R895-D898 VanDerWaalsContact O-CG 3.3Å; R895-D898 PolarHBondContact O-N 2.98Å | ||
| 896 | A | 90 | Very high | 84.3 | Confident | 52 Ų | 52 | 61.6 Ų | 61.6 | 43% | 0.43 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | 121.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | A873 D876 | A873-A896 CarbonylContact O-C 3.58Å; A873-A896 WeakPolarHBondContact O-CA 3.42Å; D876-A896 PolarHBondContact OD1-N 3.04Å |
| 897 | G | 85.4 | Confident | 85.5 | Confident | 49 Ų | 49 | 55.8 Ų | 55.8 | 51% | 0.505 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 101.3 | -12 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115 | A873 R895 | A873-G897 PolarHBondContact O-N 3.13Å; R895-G897 PolarHBondContact O-N 2.84Å |
| 898 | D | 91.5 | Very high | 86.1 | Confident | 52 Ų | 52 | 58.5 Ų | 58.5 | 28% | 0.278 | 34% | 0.34 | S | S | . | . | trans | -65.9 | 140 | 176.7 | -73.2 | -18 | 0 | 0 | 0 | 111.5 | V872 A873 F894 R895 L916 | V872-D898 WeakPolarHBondContact CA-O 3.38Å; A873-D898 HydrophobicContact CB-CB 4.35Å; A873-D898 PolarHBondContact N-O 3.26Å; F894-D898 HydrophobicContact CB-CB 4.44Å; R895-D898 PolarHBondContact N-OD2 3.1Å; R895-D898 VanDerWaalsContact O-CB 3.24Å; R895-D898 WeakPolarHBondContact O-CB 3.49Å; R895-D898 VanDerWaalsContact O-CG 3.3Å; R895-D898 PolarHBondContact O-N 2.98Å; D898-L916 HydrophobicContact CB-CD1 4.05Å; D898-L916 HydrophobicContact CB-CD2 3.95Å | ||
| 899 | V | 91.4 | Very high | 86.4 | Confident | 86 Ų | 86 | 62.5 Ų | 62.5 | 52% | 0.521 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 101.8 | -178.7 | -176.7 | 0 | 0 | 0 | 0 | 109 | ||
| 900 | I | 93.1 | Very high | 87 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 128.6 | -173 | -61.2 | 162 | 0 | 0 | 0 | 108.6 | S870 M871 A873 L892 F894 V902 L916 V923 L928 | S870-I900 CarbonylContact C-O 3.59Å; S870-I900 WeakPolarHBondContact CA-O 3.48Å; M871-I900 PolarHBondContact N-O 2.68Å; M871-I900 PolarHBondContact O-N 3Å; A873-I900 HydrophobicContact CB-CD1 4.17Å; L892-I900 HydrophobicContact CD2-CG2 4.18Å; F894-I900 HydrophobicContact CB-CD1 3.85Å; F894-I900 HydrophobicContact CD1-CD1 3.75Å; F894-I900 HydrophobicContact CD2-CD1 3.88Å; F894-I900 HydrophobicContact CE1-CD1 4.26Å; F894-I900 HydrophobicContact CE2-CD1 4.34Å; F894-I900 HydrophobicContact CG-CD1 3.55Å; I900-V902 PolarHBondContact O-N 3.11Å; I900-L916 HydrophobicContact CG1-CB 4.24Å; I900-L916 HydrophobicContact CG1-CD1 4.18Å; I900-L916 HydrophobicContact CG1-CD2 4.13Å; I900-L916 HydrophobicContact CG1-CG 4.41Å; I900-V923 HydrophobicContact CD1-CG1 4.03Å; I900-V923 HydrophobicContact CG2-CG1 4.29Å; I900-V923 HydrophobicContact CG2-CG2 4.13Å; I900-L928 HydrophobicContact CD1-CD2 3.67Å |
| 901 | T | 92.4 | Very high | 87.5 | Confident | 47 Ų | 47 | 53.6 Ų | 53.6 | 29% | 0.288 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 111.3 | 177.6 | -60.6 | 0 | 0 | 0 | 0 | 109.3 | P868 F903 G914 E915 | P868-T901 HydrophobicContact CB-CG2 3.84Å; T901-F903 HydrophobicContact CG2-CE1 4.48Å; T901-F903 HydrophobicContact CG2-CE2 3.94Å; T901-F903 HydrophobicContact CG2-CZ 3.84Å; T901-F903 WeakPolarHBondContact O-CD2 3.48Å; T901-F903 WeakPolarHBondContact O-CE2 3.26Å; T901-G914 CarbonylContact O-C 3.57Å; T901-G914 VanDerWaalsContact O-CA 3.27Å; T901-G914 WeakPolarHBondContact O-CA 3.39Å; T901-E915 PolarHBondContact N-O 3.46Å; T901-E915 PolarHBondContact O-N 3.35Å |
| 902 | V | 92.8 | Very high | 87.6 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 135.8 | -179.9 | 165.6 | 0 | 0 | 0 | 0 | 110.8 | P868 H869 M871 I900 Y912 L928 | P868-V902 CarbonylContact C-O 3.58Å; P868-V902 VanDerWaalsContact CA-O 3.23Å; P868-V902 WeakPolarHBondContact CA-O 3.31Å; H869-V902 WeakPolarHBondContact CE1-CG1 3.41Å; H869-V902 PolarHBondContact N-O 3.24Å; H869-V902 WeakPolarHBondContact O-CB 3.23Å; H869-V902 PolarHBondContact O-N 3.04Å; M871-V902 HydrophobicContact CG-CG2 4.26Å; M871-V902 HydrophobicContact SD-CB 4.37Å; M871-V902 HydrophobicContact SD-CG2 3.95Å; I900-V902 PolarHBondContact O-N 3.11Å; V902-Y912 HydrophobicContact CG1-CD1 3.39Å; V902-Y912 HydrophobicContact CG1-CE1 4.08Å; V902-Y912 HydrophobicContact CG1-CG 3.67Å; V902-Y912 HydrophobicContact CG2-CD2 4.33Å; V902-Y912 HydrophobicContact CG2-CG 4.03Å; V902-L928 HydrophobicContact CG2-CD1 3.99Å |
| 903 | F | 88.1 | Confident | 87.7 | Confident | 54 Ų | 54 | 59.8 Ų | 59.8 | 24% | 0.237 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 129.8 | 179.9 | -59.3 | -98.9 | 0 | 0 | 0 | 110.6 | P868 T901 Y913 E915 | P868-F903 HydrophobicContact CB-CD1 3.89Å; P868-F903 HydrophobicContact CB-CE1 3.92Å; P868-F903 HydrophobicContact CG-CD1 3.6Å; P868-F903 HydrophobicContact CG-CE1 3.78Å; T901-F903 HydrophobicContact CG2-CE1 4.48Å; T901-F903 HydrophobicContact CG2-CE2 3.94Å; T901-F903 HydrophobicContact CG2-CZ 3.84Å; T901-F903 WeakPolarHBondContact O-CD2 3.48Å; T901-F903 WeakPolarHBondContact O-CE2 3.26Å; F903-Y913 HydrophobicContact CB-CD1 4.4Å; F903-Y913 HydrophobicContact CD2-CD1 4.36Å; F903-Y913 PolarHBondContact N-O 3.38Å; F903-E915 HydrophobicContact CE2-CB 3.61Å; F903-E915 HydrophobicContact CZ-CB 4.18Å |
| 904 | G | 84.1 | Confident | 87.8 | Confident | 13 Ų | 13 | 56.8 Ų | 56.8 | 13% | 0.134 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 74 | -147.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | K866 H869 | K866-G904 WeakPolarHBondContact CD-O 3.34Å; H869-G904 PolarHBondContact NE2-O 2.93Å |
| 905 | G | 78.8 | Confident | 87.9 | Confident | 47 Ų | 47 | 59 Ų | 59 | 49% | 0.485 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 175.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y912 | G905-Y912 WeakPolarHBondContact O-CD1 3.31Å |
| 906 | M | 85.6 | Confident | 87.8 | Confident | 99 Ų | 99 | 52.6 Ų | 52.6 | 49% | 0.488 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 141.8 | 153.5 | -162.1 | -179.2 | 73.9 | 0 | 0 | 106.5 | F911 Y912 | M906-F911 WeakPolarHBondContact CA-O 3.36Å; M906-F911 WeakPolarHBondContact CG-O 3.26Å; M906-Y912 HydrophobicContact CB-CD1 3.95Å; M906-Y912 HydrophobicContact CB-CE1 3.43Å; M906-Y912 VanDerWaalsContact CB-CE1 3.43Å; M906-Y912 HydrophobicContact CG-CD1 4.2Å; M906-Y912 HydrophobicContact CG-CE1 3.88Å; M906-Y912 HydrophobicContact CG-CE2 4.44Å |
| 907 | D | 84.6 | Confident | 87.6 | Confident | 56 Ų | 56 | 57.3 Ų | 57.3 | 30% | 0.299 | 32% | 0.322 | S | S | . | . | trans | -77.6 | 172.8 | 171.5 | 55.1 | 52.9 | 0 | 0 | 0 | 112.1 | D909 G910 F911 | D907-D909 PolarHBondContact O-N 3.34Å; D907-D909 PolarHBondContact OD1-N 3.34Å; D907-G910 PolarHBondContact O-N 3.22Å; D907-G910 VanDerWaalsContact O-N 3.17Å; D907-G910 PolarHBondContact OD1-N 3.01Å; D907-F911 PolarHBondContact N-O 3.06Å; D907-F911 PolarHBondContact OD1-N 3.17Å; D907-F911 VanDerWaalsContact OD2-C 3.3Å; D907-F911 VanDerWaalsContact OD2-CB 3.32Å; D907-F911 WeakPolarHBondContact OD2-CB 3.46Å | ||
| 908 | D | 75.4 | Confident | 87.4 | Confident | 179 Ų | 179 | 57.7 Ų | 57.7 | 96% | 0.957 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -19.3 | -177.7 | -69.3 | -45.5 | 0 | 0 | 0 | 113.1 | ||
| 909 | D | 78.2 | Confident | 87 | Confident | 111 Ų | 111 | 61 Ų | 61 | 59% | 0.594 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -9.1 | 174.8 | -81.3 | -65.3 | 0 | 0 | 0 | 113.3 | D907 F911 | D907-D909 PolarHBondContact O-N 3.34Å; D907-D909 PolarHBondContact OD1-N 3.34Å; D909-F911 HydrophobicContact CB-CD2 4.19Å |
| 910 | G | 85.1 | Confident | 87 | Confident | 12 Ų | 12 | 63.6 Ų | 63.6 | 12% | 0.124 | 34% | 0.34 | C | S | . | . | S | Bend | trans | 90.5 | 19.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | D907 S925 | D907-G910 PolarHBondContact O-N 3.22Å; D907-G910 VanDerWaalsContact O-N 3.17Å; D907-G910 PolarHBondContact OD1-N 3.01Å; G910-S925 WeakPolarHBondContact O-CB 3.49Å; G910-S925 PolarHBondContact O-N 3.13Å; G910-S925 PolarHBondContact O-OG 2.94Å |
| 911 | F | 89.7 | Confident | 86.9 | Confident | 35 Ų | 35 | 63.8 Ų | 63.8 | 15% | 0.154 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 168.3 | 170.3 | -67.6 | -107.6 | 0 | 0 | 0 | 110.8 | E891 M906 D907 D909 L922 V923 P924 | E891-F911 HydrophobicContact CG-CE1 4.5Å; M906-F911 WeakPolarHBondContact CA-O 3.36Å; M906-F911 WeakPolarHBondContact CG-O 3.26Å; D907-F911 PolarHBondContact N-O 3.06Å; D907-F911 PolarHBondContact OD1-N 3.17Å; D907-F911 VanDerWaalsContact OD2-C 3.3Å; D907-F911 VanDerWaalsContact OD2-CB 3.32Å; D907-F911 WeakPolarHBondContact OD2-CB 3.46Å; D909-F911 HydrophobicContact CB-CD2 4.19Å; F911-L922 HydrophobicContact CB-CB 4.28Å; F911-L922 HydrophobicContact CB-CD2 4.5Å; F911-L922 HydrophobicContact CD1-CB 3.92Å; F911-L922 HydrophobicContact CG-CB 4.38Å; F911-V923 CarbonylContact C-O 3.6Å; F911-V923 WeakPolarHBondContact CA-O 3.33Å; F911-P924 HydrophobicContact CD1-CB 3.92Å; F911-P924 HydrophobicContact CD1-CG 4.49Å; F911-P924 HydrophobicContact CE1-CB 3.72Å; F911-P924 HydrophobicContact CE1-CG 4.2Å; F911-P924 HydrophobicContact CZ-CB 4.27Å |
| 912 | Y | 91.8 | Very high | 86.8 | Confident | 34 Ų | 34 | 64.4 Ų | 64.4 | 13% | 0.133 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 139 | 170.7 | -73.9 | -64.6 | 0 | 0 | 0 | 108.5 | H869 M871 V902 G905 M906 G914 L922 V923 S925 L928 | H869-Y912 AromaticContact CE1-CE1 3.76Å; M871-Y912 HydrophobicContact CE-CE2 3.93Å; M871-Y912 HydrophobicContact SD-CD2 4.25Å; M871-Y912 HydrophobicContact SD-CE2 3.79Å; V902-Y912 HydrophobicContact CG1-CD1 3.39Å; V902-Y912 HydrophobicContact CG1-CE1 4.08Å; V902-Y912 HydrophobicContact CG1-CG 3.67Å; V902-Y912 HydrophobicContact CG2-CD2 4.33Å; V902-Y912 HydrophobicContact CG2-CG 4.03Å; G905-Y912 WeakPolarHBondContact O-CD1 3.31Å; M906-Y912 HydrophobicContact CB-CD1 3.95Å; M906-Y912 HydrophobicContact CB-CE1 3.43Å; M906-Y912 VanDerWaalsContact CB-CE1 3.43Å; M906-Y912 HydrophobicContact CG-CD1 4.2Å; M906-Y912 HydrophobicContact CG-CE1 3.88Å; M906-Y912 HydrophobicContact CG-CE2 4.44Å; Y912-G914 PolarHBondContact O-N 3.02Å; Y912-L922 CarbonylContact O-C 3.52Å; Y912-V923 PolarHBondContact N-O 3.31Å; Y912-V923 WeakPolarHBondContact O-CB 3.35Å; Y912-V923 PolarHBondContact O-N 2.86Å; Y912-S925 VanDerWaalsContact CE2-CB 3.42Å; Y912-L928 HydrophobicContact CD2-CD1 3.7Å; Y912-L928 HydrophobicContact CE2-CD1 4.25Å |
| 913 | Y | 91.6 | Very high | 86.8 | Confident | 110 Ų | 110 | 64.4 Ų | 64.4 | 43% | 0.431 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 116.1 | 164.5 | -166.4 | -99.7 | 0 | 0 | 0 | 108.8 | F903 R920 L922 | F903-Y913 HydrophobicContact CB-CD1 4.4Å; F903-Y913 HydrophobicContact CD2-CD1 4.36Å; F903-Y913 PolarHBondContact N-O 3.38Å; Y913-R920 HydrophobicContact CE1-CB 4.43Å; Y913-L922 HydrophobicContact CD2-CD2 4.42Å |
| 914 | G | 92.1 | Very high | 86.9 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 157.8 | -171 | 0 | 0 | 0 | 0 | 0 | 114 | T901 Y912 R920 G921 | T901-G914 CarbonylContact O-C 3.57Å; T901-G914 VanDerWaalsContact O-CA 3.27Å; T901-G914 WeakPolarHBondContact O-CA 3.39Å; Y912-G914 PolarHBondContact O-N 3.02Å; G914-R920 WeakPolarHBondContact O-CA 3.43Å; G914-G921 PolarHBondContact N-O 3.2Å; G914-G921 PolarHBondContact O-N 3.22Å |
| 915 | E | 92.9 | Very high | 87.1 | Confident | 54 Ų | 54 | 62.9 Ų | 62.9 | 25% | 0.252 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 132.5 | 173.5 | -170.4 | 178.1 | 147.3 | 0 | 0 | 110.8 | T901 F903 Q919 R920 | T901-E915 PolarHBondContact N-O 3.46Å; T901-E915 PolarHBondContact O-N 3.35Å; F903-E915 HydrophobicContact CE2-CB 3.61Å; F903-E915 HydrophobicContact CZ-CB 4.18Å; E915-Q919 VanDerWaalsContact CA-O 3.26Å; E915-Q919 WeakPolarHBondContact CA-O 3.36Å; E915-Q919 WeakPolarHBondContact CG-O 3.27Å; E915-R920 HydrophobicContact CB-CG 3.95Å; E915-R920 HydrophobicContact CG-CG 3.81Å; E915-R920 IonicContact OE2-CZ 2.71Å; E915-R920 IonicContact OE2-NE 3.87Å; E915-R920 PolarHBondContact OE2-NE 2.89Å; E915-R920 IonicContact OE2-NH2 3.65Å; E915-R920 PolarHBondContact OE2-NH2 3.15Å |
| 916 | L | 89.9 | Confident | 87.6 | Confident | 15 Ų | 15 | 67.2 Ų | 67.2 | 8% | 0.079 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 129.6 | 173.7 | -179.1 | 62.9 | 0 | 0 | 0 | 108.3 | L892 F894 D898 I900 G918 Q919 | L892-L916 HydrophobicContact CD2-CB 3.7Å; L892-L916 HydrophobicContact CG-CB 4.3Å; F894-L916 HydrophobicContact CB-CD2 3.51Å; D898-L916 HydrophobicContact CB-CD1 4.05Å; D898-L916 HydrophobicContact CB-CD2 3.95Å; I900-L916 HydrophobicContact CG1-CB 4.24Å; I900-L916 HydrophobicContact CG1-CD1 4.18Å; I900-L916 HydrophobicContact CG1-CD2 4.13Å; I900-L916 HydrophobicContact CG1-CG 4.41Å; L916-G918 PolarHBondContact O-N 3.42Å; L916-Q919 PolarHBondContact N-O 3.08Å; L916-Q919 PolarHBondContact O-N 3.27Å |
| 917 | N | 84.3 | Confident | 87.8 | Confident | 151 Ų | 151 | 65.2 Ų | 65.2 | 81% | 0.807 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 26.7 | 179.2 | -57.3 | -37.1 | 0 | 0 | 0 | 114.7 | Q919 | N917-Q919 VanDerWaalsContact C-N 3.29Å; N917-Q919 PolarHBondContact O-N 3.43Å |
| 918 | G | 81.8 | Confident | 88 | Confident | 56 Ų | 56 | 63.3 Ų | 63.3 | 58% | 0.577 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.9 | -5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | L916 | L916-G918 PolarHBondContact O-N 3.42Š|
| 919 | Q | 84.3 | Confident | 88.6 | Confident | 122 Ų | 122 | 61.5 Ų | 61.5 | 57% | 0.57 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 142.8 | 167.6 | -67.6 | -178.2 | -17 | 0 | 0 | 109.7 | L892 E915 L916 N917 | L892-Q919 HydrophobicContact CD1-CB 3.8Å; L892-Q919 WeakPolarHBondContact CD1-O 3.45Å; E915-Q919 VanDerWaalsContact CA-O 3.26Å; E915-Q919 WeakPolarHBondContact CA-O 3.36Å; E915-Q919 WeakPolarHBondContact CG-O 3.27Å; L916-Q919 PolarHBondContact N-O 3.08Å; L916-Q919 PolarHBondContact O-N 3.27Å; N917-Q919 VanDerWaalsContact C-N 3.29Å; N917-Q919 PolarHBondContact O-N 3.43Å |
| 920 | R | 90.2 | Very high | 88.2 | Confident | 141 Ų | 141 | 58.1 Ų | 58.1 | 53% | 0.532 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 139.5 | -179.8 | -70.3 | -177.1 | 171.7 | -173.9 | -2.3 | 110.9 | Y913 G914 E915 | Y913-R920 HydrophobicContact CE1-CB 4.43Å; G914-R920 WeakPolarHBondContact O-CA 3.43Å; E915-R920 HydrophobicContact CB-CG 3.95Å; E915-R920 HydrophobicContact CG-CG 3.81Å; E915-R920 IonicContact OE2-CZ 2.71Å; E915-R920 IonicContact OE2-NE 3.87Å; E915-R920 PolarHBondContact OE2-NE 2.89Å; E915-R920 IonicContact OE2-NH2 3.65Å; E915-R920 PolarHBondContact OE2-NH2 3.15Å |
| 921 | G | 90.4 | Very high | 86.9 | Confident | 4 Ų | 4 | 61.4 Ų | 61.4 | 4% | 0.041 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -173 | -178.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A890 G914 | A890-G921 CarbonylContact O-C 3.54Å; A890-G921 WeakPolarHBondContact O-CA 3.4Å; G914-G921 PolarHBondContact N-O 3.2Å; G914-G921 PolarHBondContact O-N 3.22Å |
| 922 | L | 92.1 | Very high | 84.7 | Confident | 60 Ų | 60 | 62.4 Ų | 62.4 | 31% | 0.314 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 139.2 | 171.8 | -62.2 | 175.7 | 0 | 0 | 0 | 110.3 | A890 E891 L892 F911 Y912 Y913 | A890-L922 PolarHBondContact O-N 2.97Å; E891-L922 WeakPolarHBondContact CA-O 3.27Å; E891-L922 HydrophobicContact CG-CB 4.25Å; L892-L922 PolarHBondContact N-O 3.42Å; F911-L922 HydrophobicContact CB-CB 4.28Å; F911-L922 HydrophobicContact CB-CD2 4.5Å; F911-L922 HydrophobicContact CD1-CB 3.92Å; F911-L922 HydrophobicContact CG-CB 4.38Å; Y912-L922 CarbonylContact O-C 3.52Å; Y913-L922 HydrophobicContact CD2-CD2 4.42Å |
| 923 | V | 91.7 | Very high | 82.5 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 111.7 | -172.2 | -169.2 | 0 | 0 | 0 | 0 | 108.9 | L892 F894 I900 F911 Y912 S925 L928 | L892-V923 HydrophobicContact CB-CG2 3.92Å; L892-V923 HydrophobicContact CD2-CG2 3.7Å; F894-V923 HydrophobicContact CD1-CG1 4.19Å; F894-V923 HydrophobicContact CE1-CG1 3.56Å; F894-V923 HydrophobicContact CZ-CG1 4.04Å; I900-V923 HydrophobicContact CD1-CG1 4.03Å; I900-V923 HydrophobicContact CG2-CG1 4.29Å; I900-V923 HydrophobicContact CG2-CG2 4.13Å; F911-V923 CarbonylContact C-O 3.6Å; F911-V923 WeakPolarHBondContact CA-O 3.33Å; Y912-V923 PolarHBondContact N-O 3.31Å; Y912-V923 WeakPolarHBondContact O-CB 3.35Å; Y912-V923 PolarHBondContact O-N 2.86Å; V923-S925 PolarHBondContact O-N 2.94Å; V923-L928 HydrophobicContact CG1-CD1 3.75Å; V923-L928 HydrophobicContact CG1-CD2 3.77Å; V923-L928 HydrophobicContact CG1-CG 4.01Å |
| 924 | P | 90.4 | Very high | 80 | Confident | 8 Ų | 8 | 70.2 Ų | 70.2 | 5% | 0.052 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 120.1 | -174.2 | 24.7 | -33.6 | 0 | 0 | 0 | 111.6 | Y877 F894 F911 N926 F927 | Y877-P924 HydrophobicContact CD1-CG 4.13Å; Y877-P924 HydrophobicContact CD2-CG 4.13Å; Y877-P924 HydrophobicContact CE1-CG 3.87Å; Y877-P924 HydrophobicContact CE2-CG 3.87Å; Y877-P924 HydrophobicContact CG-CG 4.25Å; F894-P924 HydrophobicContact CZ-CG 4.42Å; F911-P924 HydrophobicContact CD1-CB 3.92Å; F911-P924 HydrophobicContact CD1-CG 4.49Å; F911-P924 HydrophobicContact CE1-CB 3.72Å; F911-P924 HydrophobicContact CE1-CG 4.2Å; F911-P924 HydrophobicContact CZ-CB 4.27Å; P924-N926 PolarHBondContact O-N 3.07Å; P924-N926 VanDerWaalsContact O-N 3.08Å; P924-F927 HydrophobicContact CB-CD2 3.93Å; P924-F927 HydrophobicContact CB-CE2 4.46Å; P924-F927 HydrophobicContact CG-CB 4.39Å; P924-F927 HydrophobicContact CG-CD2 3.65Å; P924-F927 HydrophobicContact CG-CE2 4.23Å; P924-F927 HydrophobicContact CG-CG 4.19Å; P924-F927 PolarHBondContact O-N 2.83Å |
| 925 | S | 88.9 | Confident | 77.4 | Confident | 26 Ų | 26 | 73.3 Ų | 73.3 | 18% | 0.182 | 42% | 0.423 | C | S | . | . | G | 310 helix | trans | -55.7 | -32.1 | -174.2 | 61 | 0 | 0 | 0 | 0 | 114.2 | G910 Y912 V923 F927 L928 | G910-S925 WeakPolarHBondContact O-CB 3.49Å; G910-S925 PolarHBondContact O-N 3.13Å; G910-S925 PolarHBondContact O-OG 2.94Å; Y912-S925 VanDerWaalsContact CE2-CB 3.42Å; V923-S925 PolarHBondContact O-N 2.94Å; S925-F927 PolarHBondContact O-N 3Å; S925-F927 VanDerWaalsContact O-N 3.13Å; S925-L928 PolarHBondContact O-N 3.37Å |
| 926 | N | 89.9 | Confident | 74.4 | Confident | 138 Ų | 138 | 73.9 Ų | 73.9 | 74% | 0.738 | 44% | 0.443 | S | S | * | . | G | 310 helix | trans | -59.9 | -20.7 | 177.5 | -65.7 | -70 | 0 | 0 | 0 | 114.1 | P924 | P924-N926 PolarHBondContact O-N 3.07Å; P924-N926 VanDerWaalsContact O-N 3.08Å |
| 927 | F | 88.1 | Confident | 71.8 | Confident | 57 Ų | 57 | 75.8 Ų | 75.8 | 25% | 0.25 | 47% | 0.466 | C | S | . | . | G | 310 helix | trans | -96.4 | -3.5 | 179.3 | -70.8 | -108.4 | 0 | 0 | 0 | 112.5 | A873 A874 F875 Y877 F894 P924 S925 | A873-F927 CarbonylContact C-O 3.57Å; A873-F927 WeakPolarHBondContact CA-O 3.48Å; A874-F927 PolarHBondContact N-O 3.13Å; F875-F927 HydrophobicContact CB-CD1 3.92Å; F875-F927 HydrophobicContact CB-CE1 4.4Å; Y877-F927 AromaticContact CD2-CD1 3.87Å; Y877-F927 HydrophobicContact CD2-CD1 3.87Å; Y877-F927 HydrophobicContact CD2-CD2 4.3Å; Y877-F927 AromaticContact CD2-CE1 3.6Å; Y877-F927 HydrophobicContact CD2-CE1 3.6Å; Y877-F927 HydrophobicContact CD2-CE2 4.05Å; Y877-F927 HydrophobicContact CD2-CG 4.24Å; Y877-F927 AromaticContact CD2-CZ 3.7Å; Y877-F927 HydrophobicContact CD2-CZ 3.7Å; Y877-F927 HydrophobicContact CE2-CE1 4.39Å; Y877-F927 HydrophobicContact CE2-CE2 4.13Å; Y877-F927 HydrophobicContact CE2-CZ 4.02Å; Y877-F927 HydrophobicContact CG-CD1 4.35Å; Y877-F927 HydrophobicContact CG-CE1 4.46Å; F894-F927 HydrophobicContact CE2-CB 3.84Å; F894-F927 HydrophobicContact CZ-CB 3.7Å; F894-F927 HydrophobicContact CZ-CG 4.38Å; P924-F927 HydrophobicContact CB-CD2 3.93Å; P924-F927 HydrophobicContact CB-CE2 4.46Å; P924-F927 HydrophobicContact CG-CB 4.39Å; P924-F927 HydrophobicContact CG-CD2 3.65Å; P924-F927 HydrophobicContact CG-CE2 4.23Å; P924-F927 HydrophobicContact CG-CG 4.19Å; P924-F927 PolarHBondContact O-N 2.83Å; S925-F927 PolarHBondContact O-N 3Å; S925-F927 VanDerWaalsContact O-N 3.13Å |
| 928 | L | 88.9 | Confident | 69.5 | Low | 16 Ų | 16 | 74.7 Ų | 74.7 | 8% | 0.084 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 125.6 | -179.5 | -53.6 | -172.7 | 0 | 0 | 0 | 111.5 | M871 V872 F894 I900 V902 Y912 V923 S925 | M871-L928 HydrophobicContact CB-CB 4.19Å; M871-L928 HydrophobicContact CB-CD1 4.03Å; M871-L928 HydrophobicContact CE-CB 3.8Å; M871-L928 HydrophobicContact CE-CD1 4.32Å; M871-L928 HydrophobicContact SD-CD1 4.02Å; V872-L928 CarbonylContact O-C 3.56Å; V872-L928 WeakPolarHBondContact O-CA 3.49Å; F894-L928 HydrophobicContact CE2-CD2 4.43Å; F894-L928 HydrophobicContact CZ-CD2 4.38Å; I900-L928 HydrophobicContact CD1-CD2 3.67Å; V902-L928 HydrophobicContact CG2-CD1 3.99Å; Y912-L928 HydrophobicContact CD2-CD1 3.7Å; Y912-L928 HydrophobicContact CE2-CD1 4.25Å; V923-L928 HydrophobicContact CG1-CD1 3.75Å; V923-L928 HydrophobicContact CG1-CD2 3.77Å; V923-L928 HydrophobicContact CG1-CG 4.01Å; S925-L928 PolarHBondContact O-N 3.37Å |
| 929 | E | 87.6 | Confident | 67.2 | Low | 142 Ų | 142 | 78.4 Ų | 78.4 | 66% | 0.664 | 47% | 0.466 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 126.2 | 162.3 | -167.5 | 158.5 | -153.3 | 0 | 0 | 108.8 | V872 A874 | V872-E929 PolarHBondContact N-O 3.39Å; V872-E929 PolarHBondContact O-N 3.48Å; A874-E929 HydrophobicContact CB-CB 4.23Å |
| 930 | G | 70.4 | Confident | 64.7 | Low | 39 Ų | 39 | 83.7 Ų | 83.7 | 40% | 0.402 | 48% | 0.481 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 146.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | G932 | G930-G932 PolarHBondContact O-N 3.32Å; G930-G932 VanDerWaalsContact O-N 3.11Å |
| 931 | P | 58.4 | Low | 61.9 | Low | 81 Ų | 81 | 84.3 Ų | 84.3 | 53% | 0.526 | 49% | 0.49 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 120 | -177.9 | 28.3 | -36.1 | 0 | 0 | 0 | 109.7 | S870 | S870-P931 VanDerWaalsContact O-CD 3.27Å; S870-P931 WeakPolarHBondContact O-CD 3.49Å; S870-P931 VanDerWaalsContact O-CG 3.23Å; S870-P931 WeakPolarHBondContact O-CG 3.42Å |
| 932 | G | 42.8 | Very low | 59.7 | Low | 57 Ų | 57 | 88.9 Ų | 88.9 | 59% | 0.588 | 52% | 0.519 | S | S | * | . | P | Polyproline II helix | trans | -55.2 | 132.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | G930 E934 | G930-G932 PolarHBondContact O-N 3.32Å; G930-G932 VanDerWaalsContact O-N 3.11Å; G932-E934 VanDerWaalsContact C-N 3.3Å; G932-E934 PolarHBondContact O-N 2.96Å |
| 933 | P | 45.1 | Very low | 56.6 | Low | 132 Ų | 132 | 96.7 Ų | 96.7 | 86% | 0.857 | 54% | 0.544 | S | S | * | . | trans | -75.7 | 75.9 | -166.3 | 30.1 | -36.9 | 0 | 0 | 0 | 113.2 | ||||
| 934 | E | 40.5 | Very low | 53.9 | Low | 176 Ų | 176 | 102.8 Ų | 102.8 | 82% | 0.822 | 58% | 0.581 | S | S | * | * | trans | -121 | 125.9 | 177.1 | -72.2 | -73.4 | 141.4 | 0 | 0 | 110.4 | G932 | G932-E934 VanDerWaalsContact C-N 3.3Å; G932-E934 PolarHBondContact O-N 2.96Å | ||
| 935 | A | 37.5 | Very low | 51.2 | Low | 65 Ų | 65 | 108.2 Ų | 108.2 | 54% | 0.537 | 62% | 0.617 | S | S | . | * | cis | -163.4 | 144.8 | -5.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 936 | G | 29.8 | Very low | 48.1 | Very low | 66 Ų | 66 | 115.7 Ų | 115.7 | 68% | 0.68 | 65% | 0.649 | S | S | * | * | S | Bend | trans | 154.7 | 88.9 | 158.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 937 | G | 33.7 | Very low | 45.5 | Very low | 55 Ų | 55 | 113.6 Ų | 113.6 | 57% | 0.567 | 65% | 0.65 | S | S | * | * | cis | 156.8 | 152.4 | -7.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 938 | L | 36.7 | Very low | 42.5 | Very low | 127 Ų | 127 | 120 Ų | 120 | 67% | 0.665 | 68% | 0.681 | S | S | * | * | trans | 81 | 95.3 | 177.5 | -59.4 | 174.6 | 0 | 0 | 0 | 119.2 | ||||
| 939 | D | 33.8 | Very low | 40.1 | Very low | 135 Ų | 135 | 124.2 Ų | 124.2 | 72% | 0.722 | 71% | 0.712 | S | S | * | * | 77.5 | 90.5 | 119.4 | -164.6 | 28.2 | 0 | 0 | 0 | 121.1 | |||||
| 940 | R | 32.4 | Very low | 37.5 | Very low | 233 Ų | 233 | 127 Ų | 127 | 88% | 0.879 | 73% | 0.725 | S | S | * | * | -174.7 | 155.4 | 103.7 | -100.7 | -172.4 | 170.9 | -156.1 | -7.4 | 117.4 | |||||
| 941 | E | 31.7 | Very low | 35.7 | Very low | 153 Ų | 153 | 136.6 Ų | 136.6 | 72% | 0.715 | 75% | 0.749 | S | S | * | * | trans | -56.4 | 168 | 169.8 | -65.3 | -167.5 | 76.4 | 0 | 0 | 114.7 | ||||
| 942 | P | 43.1 | Very low | 34.4 | Very low | 101 Ų | 101 | 139.6 Ų | 139.6 | 66% | 0.656 | 77% | 0.766 | S | S | * | * | cis | -149.3 | 178.9 | 22.1 | 45.5 | -25.8 | 0 | 0 | 0 | 120.7 | ||||
| 943 | R | 26.8 | Very low | 33.8 | Very low | 224 Ų | 224 | 148 Ų | 148 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | trans | 79.8 | 97.8 | 148.2 | -80.9 | 165.5 | -175.5 | 177 | 0.2 | 122.6 | ||||
| 944 | T | 34.4 | Very low | 33.4 | Very low | 127 Ų | 127 | 153.4 Ų | 153.4 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | 6.9 | 146.5 | 123.3 | 58.6 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 945 | P | 34.2 | Very low | 33 | Very low | 122 Ų | 122 | 156.4 Ų | 156.4 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | -126.2 | 172 | 100.1 | 38.6 | -35.1 | 0 | 0 | 0 | 116 | |||||
| 946 | Q | 23.6 | Very low | 32.8 | Very low | 184 Ų | 184 | 163.4 Ų | 163.4 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | trans | -16 | 143.2 | 177.1 | -73 | 155.9 | -106.9 | 0 | 0 | 121.1 | ||||
| 947 | A | 35 | Very low | 32.9 | Very low | 93 Ų | 93 | 166.8 Ų | 166.8 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | trans | -86 | 160.3 | 155.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 948 | E | 26.6 | Very low | 32.8 | Very low | 193 Ų | 193 | 171.3 Ų | 171.3 | 90% | 0.902 | 81% | 0.813 | S | S | * | * | trans | -141.5 | 164.2 | 146.6 | -143.9 | 159.8 | -125.4 | 0 | 0 | 110.8 | ||||
| 949 | S | 38.4 | Very low | 32.7 | Very low | 104 Ų | 104 | 174.5 Ų | 174.5 | 73% | 0.727 | 84% | 0.844 | S | S | * | * | trans | -99.3 | 153.7 | -160.1 | -63.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 950 | Q | 31.5 | Very low | 32.7 | Very low | 199 Ų | 199 | 176.5 Ų | 176.5 | 93% | 0.93 | 85% | 0.85 | S | S | * | * | trans | -153.8 | 153.5 | 130.7 | -115.6 | 156.9 | 91.5 | 0 | 0 | 115 | ||||
| 951 | R | 33.6 | Very low | 32.7 | Very low | 241 Ų | 241 | 173.5 Ų | 173.5 | 91% | 0.909 | 85% | 0.848 | S | S | * | * | trans | -78.8 | 130.4 | -173.4 | -71.4 | 163 | 155.7 | 160.4 | -10.6 | 111.6 | R953 | R951-R953 PolarHBondContact O-N 2.93Å; R951-R953 VanDerWaalsContact O-N 3.13Å | ||
| 952 | T | 30.7 | Very low | 32.7 | Very low | 144 Ų | 144 | 174.6 Ų | 174.6 | 88% | 0.883 | 86% | 0.856 | S | S | * | * | trans | -70.9 | 103.7 | 158.7 | 39.5 | 0 | 0 | 0 | 0 | 110 | R954 | T952-R954 PolarHBondContact O-N 2.96Š| ||
| 953 | R | 31.5 | Very low | 32.1 | Very low | 234 Ų | 234 | 178.9 Ų | 178.9 | 88% | 0.883 | 87% | 0.867 | S | S | * | * | trans | -83.5 | 93.5 | -179.5 | -163.8 | 178.8 | -168.7 | 179.5 | 3 | 109.3 | R951 R955 | R951-R953 PolarHBondContact O-N 2.93Å; R951-R953 VanDerWaalsContact O-N 3.13Å; R953-R955 PolarHBondContact O-N 3.41Å | ||
| 954 | R | 35.8 | Very low | 32.5 | Very low | 245 Ų | 245 | 176.1 Ų | 176.1 | 93% | 0.925 | 87% | 0.869 | S | S | * | * | trans | -49.7 | 115.4 | 173.5 | -77.2 | -174.3 | 168.2 | -150.8 | -6.7 | 110.2 | T952 | T952-R954 PolarHBondContact O-N 2.96Š| ||
| 955 | R | 32.1 | Very low | 32.3 | Very low | 239 Ų | 239 | 179.4 Ų | 179.4 | 90% | 0.902 | 88% | 0.875 | S | S | * | * | P | Polyproline II helix | trans | -93.8 | 125.9 | 162 | -94 | -173.6 | 163.4 | 176.3 | -5.1 | 108.8 | R953 | R953-R955 PolarHBondContact O-N 3.41Š|
| 956 | R | 33.4 | Very low | 32.2 | Very low | 213 Ų | 213 | 183.5 Ų | 183.5 | 80% | 0.804 | 88% | 0.881 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 121.7 | 168.6 | 174.8 | -173 | -68 | 179.7 | -4 | 106.6 | ||
| 957 | V | 31.8 | Very low | 32.8 | Very low | 137 Ų | 137 | 183.5 Ų | 183.5 | 83% | 0.83 | 88% | 0.882 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 138 | 161.4 | -178.1 | 0 | 0 | 0 | 0 | 107 | ||
| 958 | Q | 31.5 | Very low | 32.7 | Very low | 150 Ų | 150 | 191 Ų | 191 | 70% | 0.701 | 89% | 0.892 | S | S | * | * | trans | -151.5 | 129 | -177 | -176.9 | 170 | -0.8 | 0 | 0 | 108.1 | ||||
| 959 | C | 35.2 | Very low | 33.2 | Very low | 193 Ų | 193 | 190.8 Ų | 190.8 | 100% | 1.304 | 89% | 0.891 | S | S | * | * | trans | 67.6 | 0 | -157.6 | -54.6 | 0 | 0 | 0 | 0 | 111.4 |
Retrieved 959 of 959 residues in 436.2 ms
(Link to these results)