| 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 | 30.3 | Very low | 28.5 | Very low | 254 Ų | 254 | 157.3 Ų | 157.3 | 100% | 1.251 | 85% | 0.853 | S | S | * | * | 0 | 179.9 | 0 | -93.9 | -169.8 | 161.1 | 0 | 0 | 110 | |||||
| 2 | L | 32.4 | Very low | 28.5 | Very low | 170 Ų | 170 | 154.6 Ų | 154.6 | 89% | 0.89 | 85% | 0.85 | S | S | * | * | trans | -58.6 | 155.5 | -170.5 | -73.6 | 159.5 | 0 | 0 | 0 | 114.7 | ||||
| 3 | K | 29.9 | Very low | 27.8 | Very low | 194 Ų | 194 | 152.8 Ų | 152.8 | 84% | 0.843 | 84% | 0.838 | S | S | * | * | trans | -65.4 | 126.8 | 148.5 | -71 | 175.9 | 176 | 179.5 | 0 | 108.1 | ||||
| 4 | N | 32.5 | Very low | 27.6 | Very low | 157 Ų | 157 | 155.3 Ų | 155.3 | 84% | 0.84 | 84% | 0.837 | S | S | * | * | trans | 178.7 | 115.7 | 141 | -96 | -10.7 | 0 | 0 | 0 | 111.5 | ||||
| 5 | S | 37.3 | Very low | 27.4 | Very low | 127 Ų | 127 | 155.6 Ų | 155.6 | 89% | 0.888 | 83% | 0.831 | S | S | * | * | trans | -166.1 | 60.3 | 160.8 | 45.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 6 | M | 22.5 | Very low | 26.7 | Very low | 181 Ų | 181 | 152.3 Ų | 152.3 | 89% | 0.892 | 82% | 0.823 | S | S | * | * | trans | -70.5 | 143.5 | 154.1 | -86.3 | -76.9 | -140.6 | 0 | 0 | 109.1 | ||||
| 7 | S | 26.7 | Very low | 26.8 | Very low | 97 Ų | 97 | 151.8 Ų | 151.8 | 68% | 0.678 | 83% | 0.827 | S | S | * | * | trans | 144.7 | 133.8 | 130.3 | -65.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 8 | T | 26.4 | Very low | 26.4 | Very low | 129 Ų | 129 | 149.1 Ų | 149.1 | 79% | 0.791 | 82% | 0.821 | S | S | * | * | trans | 63.4 | 146.5 | 148.8 | 55.8 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 9 | L | 29.5 | Very low | 26.2 | Very low | 150 Ų | 150 | 149.6 Ų | 149.6 | 79% | 0.785 | 82% | 0.817 | S | S | * | * | cis | -148.4 | 141.2 | 37.6 | -77.9 | 164.3 | 0 | 0 | 0 | 114.7 | ||||
| 10 | V | 26.3 | Very low | 26.1 | Very low | 129 Ų | 129 | 148.2 Ų | 148.2 | 78% | 0.782 | 81% | 0.809 | S | S | * | * | trans | 68.9 | 134.7 | 133.1 | 178.2 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 11 | L | 20.2 | Very low | 25.8 | Very low | 142 Ų | 142 | 146.3 Ų | 146.3 | 74% | 0.743 | 81% | 0.805 | S | S | * | * | trans | -98 | 165.3 | 166.2 | -64.9 | 111.7 | 0 | 0 | 0 | 112.1 | ||||
| 12 | P | 28 | Very low | 25.5 | Very low | 125 Ų | 125 | 142 Ų | 142 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | trans | -115.1 | 123.2 | 143.9 | 33.7 | -23.4 | 0 | 0 | 0 | 112.2 | ||||
| 13 | N | 20.3 | Very low | 24.8 | Very low | 131 Ų | 131 | 140.6 Ų | 140.6 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | trans | -98.2 | 156.9 | 158.4 | -74.7 | -27.1 | 0 | 0 | 0 | 108.6 | ||||
| 14 | F | 24.3 | Very low | 24.4 | Very low | 188 Ų | 188 | 140.7 Ų | 140.7 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | -173.4 | 146.3 | 121.2 | -102.4 | -56 | 0 | 0 | 0 | 116.2 | |||||
| 15 | H | 24 | Very low | 23.7 | Very low | 160 Ų | 160 | 140.6 Ų | 140.6 | 74% | 0.741 | 78% | 0.775 | S | S | * | * | trans | 46.1 | 117.3 | 156 | -80.5 | -61 | 0 | 0 | 0 | 124.1 | ||||
| 16 | S | 17.6 | Very low | 23 | Very low | 102 Ų | 102 | 140.2 Ų | 140.2 | 71% | 0.713 | 76% | 0.763 | S | S | * | * | trans | -71 | 156 | 142.6 | 52.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 17 | T | 27.8 | Very low | 22.9 | Very low | 144 Ų | 144 | 136.2 Ų | 136.2 | 88% | 0.883 | 75% | 0.753 | S | S | * | * | trans | -132.6 | 167.8 | 153.6 | 44.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 18 | S | 19.4 | Very low | 22.7 | Very low | 104 Ų | 104 | 138.4 Ų | 138.4 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | trans | -148.6 | 179.4 | -163.2 | 47.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 19 | E | 22.7 | Very low | 22.4 | Very low | 158 Ų | 158 | 139 Ų | 139 | 74% | 0.738 | 76% | 0.755 | S | S | * | * | trans | 105 | 123.2 | 155.2 | -67.7 | -169.3 | -162.2 | 0 | 0 | 121.7 | ||||
| 20 | N | 23.8 | Very low | 22.1 | Very low | 121 Ų | 121 | 138 Ų | 138 | 65% | 0.647 | 76% | 0.755 | S | S | * | * | 77.5 | 102.4 | 128.3 | -61.5 | -17.3 | 0 | 0 | 0 | 123.1 | |||||
| 21 | C | 20.3 | Very low | 21.9 | Very low | 110 Ų | 110 | 139.9 Ų | 139.9 | 74% | 0.743 | 76% | 0.755 | S | S | * | * | 44.8 | 127.5 | 110.6 | -54.8 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 22 | L | 23.1 | Very low | 22 | Very low | 164 Ų | 164 | 137.7 Ų | 137.7 | 86% | 0.859 | 75% | 0.751 | S | S | * | * | -170.8 | 165.8 | 101.7 | -102.1 | 168 | 0 | 0 | 0 | 113.5 | |||||
| 23 | N | 18.2 | Very low | 22 | Very low | 140 Ų | 140 | 138.9 Ų | 138.9 | 75% | 0.749 | 75% | 0.751 | S | S | * | * | trans | -82.5 | 166.3 | 177.7 | -51.9 | -48.1 | 0 | 0 | 0 | 111.9 | ||||
| 24 | F | 22.3 | Very low | 22.2 | Very low | 196 Ų | 196 | 140.3 Ų | 140.3 | 86% | 0.86 | 76% | 0.758 | S | S | * | * | -159.5 | 158.7 | 115 | -121.9 | -84.3 | 0 | 0 | 0 | 112.4 | |||||
| 25 | Q | 18 | Very low | 22.6 | Very low | 154 Ų | 154 | 137.3 Ų | 137.3 | 72% | 0.72 | 76% | 0.757 | S | S | * | * | trans | -90.3 | 163.1 | 170.5 | -59.1 | 159.7 | -140.5 | 0 | 0 | 110.5 | ||||
| 26 | D | 22 | Very low | 22.4 | Very low | 120 Ų | 120 | 137 Ų | 137 | 64% | 0.642 | 76% | 0.761 | S | S | * | * | 160.2 | 150.6 | 100.4 | -93.5 | -29.7 | 0 | 0 | 0 | 115.7 | |||||
| 27 | S | 20.5 | Very low | 22.8 | Very low | 97 Ų | 97 | 139.7 Ų | 139.7 | 68% | 0.678 | 77% | 0.766 | S | S | * | * | trans | 75.2 | 123.8 | 138.2 | -74.7 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 28 | L | 21.6 | Very low | 22.9 | Very low | 142 Ų | 142 | 137.9 Ų | 137.9 | 74% | 0.743 | 76% | 0.757 | S | S | * | * | trans | 86.7 | 112.5 | 131.7 | -65.9 | 166.9 | 0 | 0 | 0 | 122.8 | ||||
| 29 | N | 20.2 | Very low | 23.3 | Very low | 141 Ų | 141 | 139.1 Ų | 139.1 | 75% | 0.754 | 76% | 0.763 | S | S | * | * | 38.1 | 136.7 | 123.2 | -53.7 | 1 | 0 | 0 | 0 | 121.8 | |||||
| 30 | V | 24.2 | Very low | 23.6 | Very low | 130 Ų | 130 | 138.6 Ų | 138.6 | 79% | 0.788 | 77% | 0.77 | S | S | * | * | -177.2 | 137.5 | 98.1 | 153.9 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 31 | E | 21.2 | Very low | 23.7 | Very low | 168 Ų | 168 | 137.3 Ų | 137.3 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | trans | -13.9 | 151.7 | 167.3 | -50.4 | 179.2 | 113.1 | 0 | 0 | 126.1 | ||||
| 32 | S | 23.4 | Very low | 23.8 | Very low | 96 Ų | 96 | 140 Ų | 140 | 67% | 0.671 | 78% | 0.778 | S | S | * | * | trans | 84.2 | 120.2 | 133.6 | 71.9 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 33 | N | 26.2 | Very low | 23.8 | Very low | 151 Ų | 151 | 143 Ų | 143 | 81% | 0.807 | 78% | 0.778 | S | S | * | * | 177 | 171.3 | 97.4 | -95.9 | -65.1 | 0 | 0 | 0 | 116.2 | |||||
| 34 | L | 24.7 | Very low | 24.1 | Very low | 160 Ų | 160 | 143 Ų | 143 | 84% | 0.838 | 78% | 0.778 | S | S | * | * | trans | -84 | -173.8 | -175.1 | -102.7 | 70.8 | 0 | 0 | 0 | 114.2 | ||||
| 35 | P | 33.3 | Very low | 24.1 | Very low | 125 Ų | 125 | 143.4 Ų | 143.4 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | cis | -130.7 | -157.5 | 0.6 | 33.7 | -10.1 | 0 | 0 | 0 | 114.8 | ||||
| 36 | N | 20.8 | Very low | 24.4 | Very low | 154 Ų | 154 | 144.4 Ų | 144.4 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | trans | -138.6 | 174.3 | -171.1 | -140.9 | -29.2 | 0 | 0 | 0 | 112.7 | ||||
| 37 | L | 25.2 | Very low | 24.7 | Very low | 158 Ų | 158 | 145.9 Ų | 145.9 | 83% | 0.827 | 79% | 0.788 | S | S | * | * | trans | 87.3 | 155.6 | 175.6 | -57.6 | 166.7 | 0 | 0 | 0 | 118.3 | ||||
| 38 | P | 29.8 | Very low | 25 | Very low | 107 Ų | 107 | 146.1 Ų | 146.1 | 70% | 0.695 | 79% | 0.785 | S | S | * | * | cis | -129.3 | 170.6 | -30.9 | 36 | -19.5 | 0 | 0 | 0 | 113.8 | ||||
| 39 | P | 28.5 | Very low | 25.3 | Very low | 129 Ų | 129 | 146.3 Ų | 146.3 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 156.4 | -179.4 | 33.9 | -36.1 | 0 | 0 | 0 | 114.9 | ||
| 40 | V | 29.1 | Very low | 25.5 | Very low | 147 Ų | 147 | 145 Ų | 145 | 89% | 0.891 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -96 | 145.8 | 177 | 179.1 | 0 | 0 | 0 | 0 | 111.4 | ||
| 41 | S | 25 | Very low | 25.6 | Very low | 95 Ų | 95 | 150 Ų | 150 | 66% | 0.664 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 148.7 | -168.9 | 48 | 0 | 0 | 0 | 0 | 115.8 | ||
| 42 | N | 23 | Very low | 25.6 | Very low | 166 Ų | 166 | 148.2 Ų | 148.2 | 89% | 0.888 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 154.9 | 163 | -80.4 | -25.1 | 0 | 0 | 0 | 111.6 | ||
| 43 | W | 22.9 | Very low | 25.6 | Very low | 227 Ų | 227 | 147.9 Ų | 147.9 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -100.5 | 138.2 | 174.1 | -77.4 | 24.9 | 0 | 0 | 0 | 112 | ||
| 44 | N | 24 | Very low | 25.4 | Very low | 141 Ų | 141 | 148.1 Ų | 148.1 | 75% | 0.754 | 79% | 0.79 | S | S | * | * | trans | 26 | 158.5 | 139.6 | -54.8 | -3.5 | 0 | 0 | 0 | 122.5 | ||||
| 45 | Y | 21.8 | Very low | 25.4 | Very low | 203 Ų | 203 | 148.4 Ų | 148.4 | 80% | 0.796 | 79% | 0.791 | S | S | * | * | cis | -171.5 | -173.5 | -41.4 | -143.3 | -100.8 | 0 | 0 | 0 | 106.6 | ||||
| 46 | E | 25.8 | Very low | 24.9 | Very low | 175 Ų | 175 | 150 Ų | 150 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | 75.3 | 133.4 | 179.3 | -55.6 | 170.7 | -170.4 | 0 | 0 | 112.8 | ||||
| 47 | D | 27.7 | Very low | 25.2 | Very low | 151 Ų | 151 | 149.5 Ų | 149.5 | 81% | 0.807 | 79% | 0.79 | S | S | * | * | cis | -125.6 | 172.6 | 14.2 | -141.7 | -26.9 | 0 | 0 | 0 | 114 | ||||
| 48 | T | 25.8 | Very low | 24.9 | Very low | 102 Ų | 102 | 150.1 Ų | 150.1 | 63% | 0.626 | 79% | 0.788 | S | S | * | * | trans | -104.9 | 140.6 | -157.9 | 61 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 49 | T | 29.4 | Very low | 24.7 | Very low | 147 Ų | 147 | 152 Ų | 152 | 90% | 0.902 | 79% | 0.793 | S | S | * | * | trans | -134.5 | 134.6 | 140.8 | 52.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 50 | T | 24.7 | Very low | 24.4 | Very low | 114 Ų | 114 | 151.1 Ų | 151.1 | 70% | 0.699 | 79% | 0.789 | S | S | * | * | trans | -88.9 | 130.9 | -170.6 | 50.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 51 | Y | 25 | Very low | 24 | Very low | 233 Ų | 233 | 150.9 Ų | 150.9 | 91% | 0.914 | 78% | 0.782 | S | S | * | * | trans | -140.6 | 132.2 | 138 | -133.5 | -93.8 | 0 | 0 | 0 | 109.2 | ||||
| 52 | I | 22 | Very low | 24.1 | Very low | 132 Ų | 132 | 152.2 Ų | 152.2 | 68% | 0.677 | 79% | 0.788 | S | S | * | * | trans | -125.7 | 157.7 | -168.2 | -74.2 | 177.6 | 0 | 0 | 0 | 110.1 | ||||
| 53 | S | 22 | Very low | 24.1 | Very low | 89 Ų | 89 | 150.5 Ų | 150.5 | 62% | 0.622 | 78% | 0.779 | S | S | * | * | trans | 75.6 | 109.8 | 163 | 51.6 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 54 | N | 22.9 | Very low | 24.3 | Very low | 156 Ų | 156 | 147.9 Ų | 147.9 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | 75.3 | 110.2 | 124.1 | -54.9 | -6.9 | 0 | 0 | 0 | 119.5 | |||||
| 55 | L | 25.5 | Very low | 24.4 | Very low | 166 Ų | 166 | 147.6 Ų | 147.6 | 87% | 0.869 | 78% | 0.777 | S | S | * | * | -146.8 | 133 | 112 | -111.1 | 164.7 | 0 | 0 | 0 | 110.4 | |||||
| 56 | N | 21.3 | Very low | 24.7 | Very low | 157 Ų | 157 | 145 Ų | 145 | 84% | 0.84 | 78% | 0.776 | S | S | * | * | trans | -100.5 | 122 | 178.3 | -99.4 | -17.4 | 0 | 0 | 0 | 110.2 | ||||
| 57 | L | 26.8 | Very low | 24.7 | Very low | 145 Ų | 145 | 142.5 Ų | 142.5 | 76% | 0.759 | 77% | 0.769 | S | S | * | * | trans | -162.3 | 112.1 | 158.5 | -92.1 | 124.9 | 0 | 0 | 0 | 103.8 | ||||
| 58 | Q | 20.8 | Very low | 24.6 | Very low | 170 Ų | 170 | 143.2 Ų | 143.2 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | cis | 65.3 | 132.2 | 37.3 | -130.6 | -178.3 | 14.4 | 0 | 0 | 112.5 | ||||
| 59 | N | 24.1 | Very low | 24.6 | Very low | 148 Ų | 148 | 146.2 Ų | 146.2 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | trans | 74.3 | 135.3 | -160.7 | -49.2 | -29.9 | 0 | 0 | 0 | 113.3 | ||||
| 60 | S | 23.4 | Very low | 24.4 | Very low | 110 Ų | 110 | 147 Ų | 147 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | cis | -157.8 | 146.2 | -6.4 | 44.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 61 | I | 20.7 | Very low | 24.4 | Very low | 142 Ų | 142 | 146 Ų | 146 | 73% | 0.728 | 77% | 0.77 | S | S | * | * | trans | -85.5 | 147 | 172.3 | -58.5 | 162.3 | 0 | 0 | 0 | 108.9 | N63 | I61-N63 WeakPolarHBondContact CG2-OD1 3.31Š| ||
| 62 | P | 26.4 | Very low | 24.4 | Very low | 122 Ų | 122 | 143.4 Ų | 143.4 | 79% | 0.792 | 77% | 0.766 | S | S | * | * | -127.7 | 145 | 120 | 35.8 | -30.5 | 0 | 0 | 0 | 112.6 | |||||
| 63 | N | 23.5 | Very low | 24.3 | Very low | 131 Ų | 131 | 145.8 Ų | 145.8 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | trans | -79.8 | 150.7 | 177.3 | -63 | -38.3 | 0 | 0 | 0 | 111.2 | I61 | I61-N63 WeakPolarHBondContact CG2-OD1 3.31Š| ||
| 64 | I | 26.8 | Very low | 24.4 | Very low | 171 Ų | 171 | 148.8 Ų | 148.8 | 88% | 0.877 | 77% | 0.772 | S | S | * | * | trans | -130 | 126.2 | 146 | -60.5 | -179.2 | 0 | 0 | 0 | 106.8 | ||||
| 65 | I | 26.4 | Very low | 24.5 | Very low | 136 Ų | 136 | 145.6 Ų | 145.6 | 70% | 0.697 | 76% | 0.762 | S | S | * | * | trans | -123.6 | 127.3 | 169.4 | -68.8 | 172.6 | 0 | 0 | 0 | 105.8 | ||||
| 66 | D | 27.7 | Very low | 24.4 | Very low | 147 Ų | 147 | 143.5 Ų | 143.5 | 79% | 0.786 | 76% | 0.756 | S | S | * | * | trans | -153.4 | 163.1 | 136.7 | -131.4 | -37.4 | 0 | 0 | 0 | 112.3 | ||||
| 67 | N | 25.3 | Very low | 24.4 | Very low | 124 Ų | 124 | 144.2 Ų | 144.2 | 66% | 0.663 | 76% | 0.755 | S | S | * | * | trans | -90.5 | 145.4 | -152.2 | -64.8 | -91.4 | 0 | 0 | 0 | 114.8 | ||||
| 68 | H | 26.2 | Very low | 24.3 | Very low | 166 Ų | 166 | 144.3 Ų | 144.3 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | -166.6 | 152.6 | 119.4 | -122.6 | -91.2 | 0 | 0 | 0 | 114.7 | |||||
| 69 | M | 25.2 | Very low | 24.4 | Very low | 164 Ų | 164 | 144.3 Ų | 144.3 | 81% | 0.808 | 76% | 0.76 | S | S | * | * | trans | 58.6 | 93.4 | 167.4 | -64.1 | -54.7 | 179.6 | 0 | 0 | 118.6 | ||||
| 70 | I | 26.7 | Very low | 24.4 | Very low | 163 Ų | 163 | 144.5 Ų | 144.5 | 84% | 0.836 | 76% | 0.761 | S | S | * | * | trans | -86.4 | 157.9 | 158.2 | -76.8 | 175.5 | 0 | 0 | 0 | 110.5 | ||||
| 71 | S | 23.5 | Very low | 24.3 | Very low | 93 Ų | 93 | 146.4 Ų | 146.4 | 65% | 0.65 | 76% | 0.762 | S | S | * | * | trans | -53 | 157.5 | -177.4 | 58.7 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 72 | H | 25.2 | Very low | 24.3 | Very low | 179 Ų | 179 | 145.1 Ų | 145.1 | 83% | 0.829 | 77% | 0.766 | S | S | * | * | trans | -128.3 | 111.9 | 130.9 | -142.2 | -91.7 | 0 | 0 | 0 | 110.7 | ||||
| 73 | Y | 20.9 | Very low | 24.1 | Very low | 183 Ų | 183 | 144.8 Ų | 144.8 | 72% | 0.718 | 77% | 0.767 | S | S | * | * | trans | -125.6 | 121.2 | 177.9 | -169.7 | -97.9 | 0 | 0 | 0 | 108.8 | ||||
| 74 | Q | 24 | Very low | 24.1 | Very low | 152 Ų | 152 | 148.5 Ų | 148.5 | 71% | 0.71 | 78% | 0.776 | S | S | * | * | trans | 53.3 | 104 | 169.3 | -63.6 | -178.6 | -2.3 | 0 | 0 | 118.6 | ||||
| 75 | S | 24.8 | Very low | 24 | Very low | 89 Ų | 89 | 147.4 Ų | 147.4 | 62% | 0.622 | 77% | 0.768 | S | S | * | * | trans | -144.6 | 141.4 | 136.6 | 55.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 76 | T | 22.9 | Very low | 23.8 | Very low | 121 Ų | 121 | 145.9 Ų | 145.9 | 74% | 0.742 | 77% | 0.769 | S | S | * | * | trans | 18.1 | 121.1 | 156.4 | 50.2 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 77 | Q | 22 | Very low | 23.6 | Very low | 173 Ų | 173 | 146.4 Ų | 146.4 | 81% | 0.808 | 77% | 0.771 | S | S | * | * | cis | 42.4 | 63.1 | 44 | -73.6 | -74.9 | -0.5 | 0 | 0 | 113.2 | ||||
| 78 | N | 23.2 | Very low | 23.9 | Very low | 146 Ų | 146 | 145.8 Ų | 145.8 | 78% | 0.781 | 77% | 0.774 | S | S | * | * | trans | 168.2 | 103.8 | 131.7 | -86.4 | -29.1 | 0 | 0 | 0 | 113 | ||||
| 79 | L | 23.9 | Very low | 23.6 | Very low | 170 Ų | 170 | 143 Ų | 143 | 89% | 0.89 | 77% | 0.773 | S | S | * | * | trans | -172.2 | 79.3 | 154.1 | -106.1 | 157.9 | 0 | 0 | 0 | 106.8 | ||||
| 80 | L | 22.6 | Very low | 23.4 | Very low | 153 Ų | 153 | 140 Ų | 140 | 80% | 0.801 | 77% | 0.768 | S | S | * | * | 67 | 118.8 | 83.9 | -135.7 | 166.2 | 0 | 0 | 0 | 112.5 | |||||
| 81 | N | 21.4 | Very low | 23.4 | Very low | 149 Ų | 149 | 140 Ų | 140 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | trans | -38.9 | 141.4 | 173.5 | -43.9 | -56 | 0 | 0 | 0 | 111.8 | ||||
| 82 | S | 21.9 | Very low | 23.4 | Very low | 115 Ų | 115 | 142 Ų | 142 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | cis | 178.7 | 152.5 | 47.9 | 52.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 83 | S | 22.8 | Very low | 23.3 | Very low | 116 Ų | 116 | 140.8 Ų | 140.8 | 81% | 0.811 | 77% | 0.77 | S | S | * | * | trans | -148.4 | 109.1 | 150.9 | 51.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 84 | K | 22.6 | Very low | 23.8 | Very low | 208 Ų | 208 | 137 Ų | 137 | 90% | 0.904 | 77% | 0.769 | S | S | * | * | trans | -94.9 | 133.7 | 158.8 | -74.6 | -175.9 | 176.4 | -177.5 | 0 | 107.4 | ||||
| 85 | Q | 24.2 | Very low | 23.7 | Very low | 148 Ų | 148 | 134 Ų | 134 | 69% | 0.692 | 77% | 0.765 | S | S | * | * | trans | -115.3 | 169.9 | 154.1 | -75.5 | -177 | -1.5 | 0 | 0 | 108.8 | N824 | Q85-N824 PolarHBondContact NE2-O 3.29Š| ||
| 86 | S | 22.2 | Very low | 23.7 | Very low | 105 Ų | 105 | 140 Ų | 140 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | trans | -154.2 | -178.5 | -160 | 63 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 87 | L | 24 | Very low | 24 | Very low | 157 Ų | 157 | 138.5 Ų | 138.5 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | trans | 83.1 | 156.2 | 177.4 | -58.7 | 163.3 | 0 | 0 | 0 | 115.1 | ||||
| 88 | P | 31 | Very low | 24 | Very low | 111 Ų | 111 | 136.6 Ų | 136.6 | 72% | 0.721 | 77% | 0.77 | S | S | * | * | cis | -121.8 | 168.2 | 4.7 | 27.3 | -5.9 | 0 | 0 | 0 | 116.5 | ||||
| 89 | S | 20.1 | Very low | 24.1 | Very low | 107 Ų | 107 | 134.7 Ų | 134.7 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | trans | 22.7 | 150.7 | 134.3 | -48.3 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 90 | S | 22 | Very low | 24 | Very low | 101 Ų | 101 | 130 Ų | 130 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | cis | -168 | 162.7 | 17.4 | 30.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 91 | L | 26.3 | Very low | 24.1 | Very low | 165 Ų | 165 | 128.4 Ų | 128.4 | 86% | 0.864 | 76% | 0.761 | S | S | * | * | 176.3 | 154.3 | 120.7 | -93.3 | 167.6 | 0 | 0 | 0 | 114.4 | |||||
| 92 | L | 24.1 | Very low | 24.2 | Very low | 134 Ų | 134 | 128.9 Ų | 128.9 | 70% | 0.702 | 76% | 0.763 | S | S | * | * | trans | -83.9 | 146.6 | -160.9 | -81.7 | 82.3 | 0 | 0 | 0 | 117.3 | ||||
| 93 | L | 21.8 | Very low | 24.2 | Very low | 153 Ų | 153 | 127.7 Ų | 127.7 | 80% | 0.801 | 75% | 0.754 | S | S | * | * | trans | 52.4 | 172.2 | 131.9 | -90.3 | 64.5 | 0 | 0 | 0 | 122.1 | ||||
| 94 | P | 32.7 | Very low | 24.3 | Very low | 105 Ų | 105 | 129.3 Ų | 129.3 | 68% | 0.682 | 75% | 0.753 | S | S | * | * | cis | -134.8 | 172.1 | -17.1 | 35 | -16.1 | 0 | 0 | 0 | 116.7 | ||||
| 95 | S | 21.1 | Very low | 24.3 | Very low | 89 Ų | 89 | 125.1 Ų | 125.1 | 62% | 0.622 | 74% | 0.741 | S | S | * | * | trans | 13 | 140.8 | 147.8 | 65.6 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 96 | Y | 25.4 | Very low | 24.4 | Very low | 214 Ų | 214 | 124.4 Ų | 124.4 | 84% | 0.839 | 74% | 0.742 | S | S | * | * | -170.4 | 179.9 | 101.7 | -112.4 | -77.7 | 0 | 0 | 0 | 112.2 | |||||
| 97 | A | 28.2 | Very low | 24.5 | Very low | 90 Ų | 90 | 127 Ų | 127 | 74% | 0.744 | 74% | 0.743 | S | S | * | * | trans | 79.7 | 62.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 98 | D | 23.1 | Very low | 24.8 | Very low | 133 Ų | 133 | 125.3 Ų | 125.3 | 71% | 0.711 | 74% | 0.739 | S | S | * | * | 32.1 | 112.4 | 125 | -87.7 | -72.2 | 0 | 0 | 0 | 123.8 | |||||
| 99 | S | 24.7 | Very low | 24.4 | Very low | 105 Ų | 105 | 124.2 Ų | 124.2 | 73% | 0.734 | 73% | 0.733 | S | S | * | * | 53.3 | 120.1 | 114.8 | 69.5 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 100 | G | 22.7 | Very low | 24.7 | Very low | 71 Ų | 71 | 126.9 Ų | 126.9 | 73% | 0.732 | 74% | 0.736 | S | S | * | * | 118 | 95.8 | 121.1 | 0 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 101 | C | 23.9 | Very low | 25 | Very low | 121 Ų | 121 | 128.6 Ų | 128.6 | 82% | 0.818 | 74% | 0.736 | S | S | * | * | 175 | 121.3 | 104.8 | -88 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 102 | L | 22.6 | Very low | 24.9 | Very low | 158 Ų | 158 | 127.6 Ų | 127.6 | 83% | 0.827 | 73% | 0.731 | S | S | * | * | 36.7 | 128.4 | 128.5 | -58.9 | 172 | 0 | 0 | 0 | 118.5 | |||||
| 103 | S | 21.9 | Very low | 25.1 | Very low | 90 Ų | 90 | 126.1 Ų | 126.1 | 63% | 0.629 | 73% | 0.728 | S | S | * | * | cis | 160 | 176.4 | 27.9 | 47.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 104 | L | 25 | Very low | 25.2 | Very low | 151 Ų | 151 | 124.5 Ų | 124.5 | 79% | 0.791 | 72% | 0.72 | S | S | * | * | trans | 71.4 | 142.4 | 163.8 | -59.1 | 170.8 | 0 | 0 | 0 | 117.9 | ||||
| 105 | N | 23.5 | Very low | 25 | Very low | 120 Ų | 120 | 127.2 Ų | 127.2 | 64% | 0.642 | 72% | 0.723 | S | S | * | * | cis | -166.6 | 179.9 | -31.7 | -133.6 | 54 | 0 | 0 | 0 | 109.9 | ||||
| 106 | D | 27.1 | Very low | 25.2 | Very low | 132 Ų | 132 | 127.6 Ų | 127.6 | 71% | 0.706 | 73% | 0.726 | S | S | * | * | trans | 67.3 | 154.3 | 156.5 | -53.3 | -20.6 | 0 | 0 | 0 | 119.5 | ||||
| 107 | E | 24 | Very low | 25.1 | Very low | 161 Ų | 161 | 123.3 Ų | 123.3 | 75% | 0.752 | 72% | 0.722 | S | S | * | * | cis | -162.3 | 177.9 | -46.4 | -139.4 | -166 | -151.1 | 0 | 0 | 109.8 | ||||
| 108 | T | 28.9 | Very low | 24.8 | Very low | 121 Ų | 121 | 123.5 Ų | 123.5 | 74% | 0.742 | 72% | 0.718 | S | S | * | * | trans | 67 | 163.7 | 170.1 | 69.2 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 109 | S | 23.4 | Very low | 24.9 | Very low | 87 Ų | 87 | 123.4 Ų | 123.4 | 61% | 0.608 | 72% | 0.722 | S | S | * | * | -173.6 | -171.5 | -66.9 | 55.5 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 110 | M | 26.4 | Very low | 25.1 | Very low | 163 Ų | 163 | 124.7 Ų | 124.7 | 80% | 0.803 | 73% | 0.728 | S | S | * | * | trans | 74.2 | 113.5 | -178.5 | -49.7 | -58.3 | 171.4 | 0 | 0 | 115.8 | ||||
| 111 | I | 27.3 | Very low | 25 | Very low | 138 Ų | 138 | 127.4 Ų | 127.4 | 71% | 0.708 | 73% | 0.731 | S | S | * | * | cis | 108.4 | 134 | 8.6 | -57.6 | 168 | 0 | 0 | 0 | 115.3 | ||||
| 112 | N | 26.1 | Very low | 25 | Very low | 143 Ų | 143 | 129.6 Ų | 129.6 | 77% | 0.765 | 73% | 0.728 | S | S | * | * | trans | 82 | 150.2 | 162.2 | -78.9 | -1.8 | 0 | 0 | 0 | 122.4 | ||||
| 113 | V | 27 | Very low | 25 | Very low | 103 Ų | 103 | 128.8 Ų | 128.8 | 62% | 0.624 | 72% | 0.723 | S | S | * | * | cis | -170.7 | 141.1 | -37.3 | 116 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 114 | N | 25.2 | Very low | 25.1 | Very low | 119 Ų | 119 | 129.7 Ų | 129.7 | 64% | 0.636 | 73% | 0.725 | S | S | * | * | trans | 22.8 | 164.4 | 149.8 | -47 | -11.8 | 0 | 0 | 0 | 128.1 | ||||
| 115 | H | 27.8 | Very low | 24.9 | Very low | 162 Ų | 162 | 129 Ų | 129 | 75% | 0.75 | 72% | 0.722 | S | S | * | * | trans | 93.2 | 148.2 | 149 | -58.5 | -56.7 | 0 | 0 | 0 | 118.5 | ||||
| 116 | S | 24.9 | Very low | 25 | Very low | 98 Ų | 98 | 129.5 Ų | 129.5 | 69% | 0.685 | 73% | 0.725 | S | S | * | * | cis | 178.8 | 160.6 | -11.5 | 50.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 117 | T | 22.8 | Very low | 24.9 | Very low | 124 Ų | 124 | 129.2 Ų | 129.2 | 76% | 0.761 | 72% | 0.723 | S | S | * | * | cis | -173.5 | 175 | -13 | 31.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 118 | S | 23.4 | Very low | 24.9 | Very low | 94 Ų | 94 | 126 Ų | 126 | 66% | 0.657 | 72% | 0.719 | S | S | * | * | trans | 74.2 | 112.3 | 141.7 | 56.9 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 119 | T | 24.3 | Very low | 24.9 | Very low | 130 Ų | 130 | 126.8 Ų | 126.8 | 80% | 0.798 | 72% | 0.723 | S | S | * | * | 41 | 139.5 | 126.1 | 59.7 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 120 | P | 29.2 | Very low | 25 | Very low | 132 Ų | 132 | 128.9 Ų | 128.9 | 86% | 0.857 | 73% | 0.733 | S | S | * | * | -144.8 | -154.2 | 87.9 | 39.6 | -20.8 | 0 | 0 | 0 | 116.6 | |||||
| 121 | V | 21.3 | Very low | 25.2 | Very low | 129 Ų | 129 | 125.7 Ų | 125.7 | 78% | 0.782 | 72% | 0.724 | S | S | * | * | trans | -158.8 | 164.8 | -153.8 | 137 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 122 | H | 22.6 | Very low | 25.1 | Very low | 166 Ų | 166 | 125.1 Ų | 125.1 | 77% | 0.769 | 73% | 0.727 | S | S | * | * | trans | 101.3 | 143.6 | 152.2 | -95.9 | -46.5 | 0 | 0 | 0 | 125.4 | ||||
| 123 | I | 22.7 | Very low | 24.9 | Very low | 142 Ų | 142 | 122 Ų | 122 | 73% | 0.728 | 72% | 0.717 | S | S | * | * | trans | 81.7 | 150.5 | 140.2 | -79.7 | 163.5 | 0 | 0 | 0 | 121.9 | ||||
| 124 | V | 23.5 | Very low | 24.9 | Very low | 109 Ų | 109 | 124.5 Ų | 124.5 | 66% | 0.661 | 72% | 0.721 | S | S | * | * | cis | -172.8 | 155.5 | -37.3 | 95.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 125 | D | 22.2 | Very low | 24.8 | Very low | 135 Ų | 135 | 126 Ų | 126 | 72% | 0.722 | 73% | 0.728 | S | S | * | * | trans | 61.5 | 146.8 | 152.1 | -61.1 | -19.5 | 0 | 0 | 0 | 130.1 | ||||
| 126 | N | 25 | Very low | 24.6 | Very low | 132 Ų | 132 | 123.1 Ų | 123.1 | 71% | 0.706 | 73% | 0.726 | S | S | * | * | trans | 110.4 | 119.8 | 131.4 | -87.7 | 19.1 | 0 | 0 | 0 | 127.8 | ||||
| 127 | D | 24.7 | Very low | 24.4 | Very low | 126 Ų | 126 | 124.2 Ų | 124.2 | 67% | 0.674 | 73% | 0.728 | S | S | * | * | 81.2 | 104.6 | 124.2 | -73.9 | -18.8 | 0 | 0 | 0 | 128.5 | |||||
| 128 | S | 24.7 | Very low | 24.4 | Very low | 94 Ų | 94 | 123.8 Ų | 123.8 | 66% | 0.657 | 73% | 0.726 | S | S | * | * | 102 | 152.9 | 103.8 | 79 | 0 | 0 | 0 | 0 | 125.2 | |||||
| 129 | T | 27.8 | Very low | 24.3 | Very low | 136 Ų | 136 | 124.5 Ų | 124.5 | 83% | 0.834 | 73% | 0.726 | S | S | * | * | trans | 97.7 | 157.4 | 159.2 | 68.1 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 130 | T | 25.6 | Very low | 24.2 | Very low | 132 Ų | 132 | 126.1 Ų | 126.1 | 81% | 0.81 | 73% | 0.728 | S | S | * | * | trans | -137.6 | -155.6 | -154.4 | 53.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 131 | P | 30.4 | Very low | 23.8 | Very low | 96 Ų | 96 | 124.6 Ų | 124.6 | 62% | 0.623 | 72% | 0.721 | S | S | * | * | cis | -145.4 | 171.9 | -4.6 | 41.8 | -21.2 | 0 | 0 | 0 | 119.3 | ||||
| 132 | T | 25.1 | Very low | 24.6 | Very low | 126 Ų | 126 | 123.5 Ų | 123.5 | 77% | 0.773 | 72% | 0.716 | S | S | * | * | trans | 56.6 | 155.7 | 142.1 | 51.1 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 133 | S | 23.7 | Very low | 24.7 | Very low | 78 Ų | 78 | 123.4 Ų | 123.4 | 55% | 0.545 | 72% | 0.72 | S | S | . | * | cis | -173.5 | 174.2 | -17.3 | 51 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 134 | H | 25.5 | Very low | 24.5 | Very low | 154 Ų | 154 | 123.1 Ų | 123.1 | 71% | 0.713 | 72% | 0.72 | S | S | * | * | trans | 78.8 | 127 | 170.4 | -51 | -62.7 | 0 | 0 | 0 | 117.3 | ||||
| 135 | I | 24.5 | Very low | 24.6 | Very low | 152 Ų | 152 | 125.1 Ų | 125.1 | 78% | 0.779 | 73% | 0.725 | S | S | * | * | 78.3 | 129.1 | 51.4 | -62.5 | 168.3 | 0 | 0 | 0 | 110.6 | |||||
| 136 | S | 23.3 | Very low | 24.6 | Very low | 101 Ų | 101 | 125.3 Ų | 125.3 | 71% | 0.706 | 73% | 0.726 | S | S | * | * | cis | -152 | 164.9 | 29.2 | 19.2 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 137 | T | 20.6 | Very low | 24.6 | Very low | 120 Ų | 120 | 124.1 Ų | 124.1 | 74% | 0.736 | 73% | 0.728 | S | S | * | * | trans | -5.6 | 161.5 | 149.3 | 66.9 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 138 | T | 22.3 | Very low | 24.8 | Very low | 115 Ų | 115 | 125.6 Ų | 125.6 | 71% | 0.706 | 74% | 0.735 | S | S | * | * | cis | 172 | 155.4 | 48.6 | -0.9 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 139 | T | 21.8 | Very low | 24.9 | Very low | 109 Ų | 109 | 129 Ų | 129 | 67% | 0.669 | 75% | 0.746 | S | S | * | * | cis | -175.2 | 151.9 | -11.2 | 17.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 140 | I | 21.8 | Very low | 24.9 | Very low | 164 Ų | 164 | 129.5 Ų | 129.5 | 84% | 0.841 | 74% | 0.744 | S | S | * | * | trans | 74.1 | 144.1 | 145.2 | -66.7 | 164.1 | 0 | 0 | 0 | 121 | ||||
| 141 | S | 21.5 | Very low | 24.9 | Very low | 101 Ų | 101 | 131 Ų | 131 | 71% | 0.706 | 74% | 0.743 | S | S | * | * | trans | -98.2 | -156.7 | 179.5 | 61.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 142 | P | 36.8 | Very low | 24.6 | Very low | 105 Ų | 105 | 134.8 Ų | 134.8 | 68% | 0.682 | 76% | 0.755 | S | S | * | * | cis | -125.3 | -167.5 | -23.2 | 37.6 | -19.4 | 0 | 0 | 0 | 111.6 | ||||
| 143 | I | 26.1 | Very low | 24.8 | Very low | 164 Ų | 164 | 136.2 Ų | 136.2 | 84% | 0.841 | 76% | 0.758 | S | S | * | * | 178.5 | 148.3 | 121.8 | -92.7 | 161.2 | 0 | 0 | 0 | 111 | |||||
| 144 | N | 18.5 | Very low | 24.9 | Very low | 136 Ų | 136 | 140.6 Ų | 140.6 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | trans | -117 | 141.7 | 175.2 | 170.4 | 37.6 | 0 | 0 | 0 | 108.7 | ||||
| 145 | I | 25.1 | Very low | 24.8 | Very low | 152 Ų | 152 | 138.8 Ų | 138.8 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | trans | 179.5 | 147.6 | 148.3 | -96.8 | 151.6 | 0 | 0 | 0 | 110.4 | ||||
| 146 | D | 22.3 | Very low | 24.9 | Very low | 139 Ų | 139 | 140.7 Ų | 140.7 | 74% | 0.743 | 78% | 0.775 | S | S | * | * | trans | -65.3 | 154.1 | -176.1 | -45.2 | -95.3 | 0 | 0 | 0 | 115.4 | ||||
| 147 | S | 25.3 | Very low | 24.8 | Very low | 107 Ų | 107 | 143.8 Ų | 143.8 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | 144.8 | 155.4 | 113.7 | -163.4 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 148 | L | 27.8 | Very low | 24.8 | Very low | 156 Ų | 156 | 145.2 Ų | 145.2 | 82% | 0.817 | 78% | 0.784 | S | S | * | * | trans | 70 | 70.6 | 164.6 | -114.1 | 71.4 | 0 | 0 | 0 | 119 | N150 | L148-N150 PolarHBondContact O-N 3.35Š| ||
| 149 | D | 26.6 | Very low | 24.8 | Very low | 166 Ų | 166 | 146 Ų | 146 | 89% | 0.888 | 79% | 0.788 | S | S | * | * | trans | -61.8 | 108 | 150 | -86.4 | -49.2 | 0 | 0 | 0 | 110.5 | ||||
| 150 | N | 28.8 | Very low | 24.7 | Very low | 147 Ų | 147 | 146.3 Ų | 146.3 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | trans | -158.8 | 141 | 153.2 | -130.2 | -30.6 | 0 | 0 | 0 | 114 | L148 | L148-N150 PolarHBondContact O-N 3.35Š| ||
| 151 | M | 25.7 | Very low | 24.7 | Very low | 162 Ų | 162 | 143.7 Ų | 143.7 | 80% | 0.798 | 79% | 0.786 | S | S | * | * | trans | 57.8 | 89.3 | 168.2 | -58.3 | -164.3 | 69.4 | 0 | 0 | 118 | ||||
| 152 | M | 23.8 | Very low | 25.3 | Very low | 177 Ų | 177 | 144.1 Ų | 144.1 | 87% | 0.872 | 79% | 0.786 | S | S | * | * | 8.9 | 114.6 | 119.9 | -68.9 | -79.6 | -172.7 | 0 | 0 | 115.8 | |||||
| 153 | N | 29.9 | Very low | 24.8 | Very low | 156 Ų | 156 | 145.7 Ų | 145.7 | 83% | 0.834 | 79% | 0.789 | S | S | * | * | trans | -156.4 | 143.9 | 133.5 | -105.4 | -13.1 | 0 | 0 | 0 | 112.6 | ||||
| 154 | E | 25.3 | Very low | 24.7 | Very low | 170 Ų | 170 | 144.6 Ų | 144.6 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | trans | -35.2 | 121.6 | 175 | -65.2 | 168.9 | 157.7 | 0 | 0 | 114.3 | ||||
| 155 | T | 24 | Very low | 25 | Very low | 116 Ų | 116 | 144.4 Ų | 144.4 | 71% | 0.712 | 78% | 0.784 | S | S | * | * | 39.7 | 106.5 | 94.2 | 63.8 | 0 | 0 | 0 | 0 | 116 | |||||
| 156 | Q | 26.7 | Very low | 24.9 | Very low | 191 Ų | 191 | 145 Ų | 145 | 89% | 0.893 | 78% | 0.783 | S | S | * | * | -169.1 | 141.9 | 115.2 | -103.2 | 167.6 | 55.9 | 0 | 0 | 111.5 | |||||
| 157 | I | 21.2 | Very low | 24.9 | Very low | 167 Ų | 167 | 143.9 Ų | 143.9 | 86% | 0.856 | 78% | 0.781 | S | S | * | * | trans | -99.4 | 134.8 | 178.4 | -68.2 | 174.1 | 0 | 0 | 0 | 109.2 | ||||
| 158 | I | 18.9 | Very low | 24.9 | Very low | 150 Ų | 150 | 146.3 Ų | 146.3 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | trans | -108.2 | 121.1 | 179.2 | -59.3 | 168.2 | 0 | 0 | 0 | 109.6 | ||||
| 159 | V | 22.4 | Very low | 24.5 | Very low | 130 Ų | 130 | 144.5 Ų | 144.5 | 79% | 0.788 | 79% | 0.786 | S | S | * | * | trans | -140.4 | 91.2 | 156.4 | -172 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 160 | V | 20.8 | Very low | 24.3 | Very low | 116 Ų | 116 | 144.3 Ų | 144.3 | 70% | 0.703 | 78% | 0.784 | S | S | * | * | trans | 24.3 | 123.3 | 135 | -171.1 | 0 | 0 | 0 | 0 | 120 | ||||
| 161 | S | 22.3 | Very low | 24 | Very low | 110 Ų | 110 | 143.8 Ų | 143.8 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | 173.2 | 156.6 | 126.6 | -77.3 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 162 | P | 33.3 | Very low | 23.9 | Very low | 109 Ų | 109 | 143.7 Ų | 143.7 | 71% | 0.708 | 79% | 0.787 | S | S | * | * | -133.6 | 173.6 | -69.2 | 35.3 | -16.1 | 0 | 0 | 0 | 115.2 | |||||
| 163 | N | 25.5 | Very low | 23.8 | Very low | 139 Ų | 139 | 144.4 Ų | 144.4 | 74% | 0.743 | 79% | 0.785 | S | S | * | * | trans | 71.5 | 104.6 | 158.6 | -69.2 | -6.4 | 0 | 0 | 0 | 122.4 | ||||
| 164 | N | 24.8 | Very low | 23.6 | Very low | 140 Ų | 140 | 143.3 Ų | 143.3 | 75% | 0.749 | 78% | 0.78 | S | S | * | * | 72.8 | 138.2 | 125 | -70 | -3.6 | 0 | 0 | 0 | 124.3 | |||||
| 165 | N | 24.8 | Very low | 23.7 | Very low | 133 Ų | 133 | 143.2 Ų | 143.2 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | trans | 79.6 | 88.2 | 150.2 | -66.9 | 0.3 | 0 | 0 | 0 | 121.2 | ||||
| 166 | Q | 23 | Very low | 23.8 | Very low | 164 Ų | 164 | 143.5 Ų | 143.5 | 77% | 0.766 | 79% | 0.786 | S | S | * | * | 71.7 | 111.3 | 120.4 | -71.1 | -176.6 | -6.3 | 0 | 0 | 121 | |||||
| 167 | T | 22.7 | Very low | 23.6 | Very low | 115 Ų | 115 | 143.6 Ų | 143.6 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | trans | 78 | 129.9 | 132.9 | 58.7 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 168 | N | 23.9 | Very low | 23.7 | Very low | 159 Ų | 159 | 143.2 Ų | 143.2 | 85% | 0.85 | 78% | 0.781 | S | S | * | * | trans | 79.7 | 134.6 | 153.9 | -60.1 | -12 | 0 | 0 | 0 | 118.7 | ||||
| 169 | S | 20.2 | Very low | 23.8 | Very low | 117 Ų | 117 | 142.7 Ų | 142.7 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -89.3 | 136.8 | -169.4 | 44.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 170 | I | 22.5 | Very low | 23.8 | Very low | 163 Ų | 163 | 142.1 Ų | 142.1 | 84% | 0.836 | 78% | 0.782 | S | S | * | * | trans | -133.9 | 136.9 | 158.1 | -65.6 | -175.1 | 0 | 0 | 0 | 108.4 | ||||
| 171 | T | 21.9 | Very low | 23.8 | Very low | 136 Ų | 136 | 142.5 Ų | 142.5 | 83% | 0.834 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 134.9 | 174.5 | 38.4 | 0 | 0 | 0 | 0 | 111.1 | ||
| 172 | I | 23.9 | Very low | 23.8 | Very low | 159 Ų | 159 | 143 Ų | 143 | 82% | 0.815 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -95 | 133.1 | 173.6 | -63.9 | 177.9 | 0 | 0 | 0 | 109.3 | ||
| 173 | K | 22.2 | Very low | 23.4 | Very low | 193 Ų | 193 | 145.1 Ų | 145.1 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -103.5 | 141.7 | 165.4 | -68.1 | 175.6 | 176.8 | 175.8 | 0 | 108.3 | ||
| 174 | D | 24.9 | Very low | 23.7 | Very low | 133 Ų | 133 | 144.4 Ų | 144.4 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | trans | -169.2 | 148 | 154.7 | -93.7 | -32.3 | 0 | 0 | 0 | 108.8 | ||||
| 175 | H | 28.3 | Very low | 23.8 | Very low | 167 Ų | 167 | 142.6 Ų | 142.6 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | cis | -129.5 | 164.4 | -13.9 | -65.9 | -61.6 | 0 | 0 | 0 | 108.8 | ||||
| 176 | S | 25 | Very low | 23.8 | Very low | 123 Ų | 123 | 142.7 Ų | 142.7 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | trans | -137.6 | 160 | 172.1 | 65.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 177 | K | 24 | Very low | 23.6 | Very low | 193 Ų | 193 | 142.5 Ų | 142.5 | 84% | 0.839 | 80% | 0.798 | S | S | * | * | trans | -95 | 135.7 | -174.7 | -70.6 | 178.2 | 177.6 | 176.2 | 0 | 112.8 | ||||
| 178 | I | 21.6 | Very low | 23.7 | Very low | 158 Ų | 158 | 143.5 Ų | 143.5 | 81% | 0.81 | 80% | 0.804 | S | S | * | * | trans | 30.9 | 110.2 | 142.6 | -52.4 | 168.3 | 0 | 0 | 0 | 117.1 | ||||
| 179 | T | 22.4 | Very low | 23.5 | Very low | 140 Ų | 140 | 142.2 Ų | 142.2 | 86% | 0.859 | 80% | 0.802 | S | S | * | * | trans | -159.6 | 167.3 | 140.6 | -3.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 180 | T | 20.7 | Very low | 23.7 | Very low | 118 Ų | 118 | 144 Ų | 144 | 72% | 0.724 | 80% | 0.802 | S | S | * | * | trans | -107.6 | 163.8 | -164.7 | 50 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 181 | T | 21.7 | Very low | 23.5 | Very low | 123 Ų | 123 | 140.8 Ų | 140.8 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | trans | 70.3 | 107.9 | 149.1 | 41.4 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 182 | V | 22.8 | Very low | 23.5 | Very low | 122 Ų | 122 | 141.1 Ų | 141.1 | 74% | 0.739 | 79% | 0.787 | S | S | * | * | 73.2 | 100.5 | 124.3 | -177.9 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 183 | N | 24.6 | Very low | 23.5 | Very low | 153 Ų | 153 | 140.6 Ų | 140.6 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | 72.1 | 156.4 | 136 | -71.2 | 3.8 | 0 | 0 | 0 | 122.7 | ||||
| 184 | P | 32.7 | Very low | 23.4 | Very low | 123 Ų | 123 | 136.8 Ų | 136.8 | 80% | 0.799 | 78% | 0.784 | S | S | * | * | trans | -121.2 | 165 | -150.4 | 42 | -30 | 0 | 0 | 0 | 115.9 | ||||
| 185 | S | 25.7 | Very low | 23.4 | Very low | 103 Ų | 103 | 136.5 Ų | 136.5 | 72% | 0.72 | 79% | 0.791 | S | S | * | * | trans | -146.1 | 119.5 | 168.3 | 58.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 186 | T | 25 | Very low | 23.2 | Very low | 134 Ų | 134 | 133.6 Ų | 133.6 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | trans | 51.2 | 114.4 | 145.6 | 53 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 187 | I | 20 | Very low | 23.1 | Very low | 161 Ų | 161 | 134.2 Ų | 134.2 | 83% | 0.826 | 78% | 0.779 | S | S | * | * | trans | -42.7 | 139.8 | 149.5 | -64.1 | 152.3 | 0 | 0 | 0 | 113.1 | ||||
| 188 | T | 23.6 | Very low | 23.4 | Very low | 136 Ų | 136 | 132 Ų | 132 | 83% | 0.834 | 78% | 0.782 | S | S | * | * | -164.2 | 141.5 | 129.1 | 7 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 189 | V | 18.9 | Very low | 23.4 | Very low | 132 Ų | 132 | 130.9 Ų | 130.9 | 80% | 0.8 | 78% | 0.777 | S | S | * | * | trans | -101.9 | 139.4 | 161.3 | 172.9 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 190 | N | 24.4 | Very low | 23.7 | Very low | 153 Ų | 153 | 131.7 Ų | 131.7 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | -146.9 | 155.5 | 159.9 | -153.2 | 4.1 | 0 | 0 | 0 | 111.7 | ||||
| 191 | T | 20.1 | Very low | 23.9 | Very low | 97 Ų | 97 | 131.9 Ų | 131.9 | 60% | 0.595 | 77% | 0.773 | S | S | * | * | trans | -114 | 166 | -175.6 | 53 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 192 | N | 21.1 | Very low | 24 | Very low | 143 Ų | 143 | 134 Ų | 134 | 77% | 0.765 | 77% | 0.774 | S | S | * | * | trans | 57.6 | 117.2 | 161.1 | -54.6 | -21.9 | 0 | 0 | 0 | 118 | ||||
| 193 | T | 24.1 | Very low | 24 | Very low | 148 Ų | 148 | 135.8 Ų | 135.8 | 91% | 0.908 | 78% | 0.779 | S | S | * | * | -162.6 | 152.5 | 113.3 | 10 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 194 | T | 20.2 | Very low | 23.9 | Very low | 113 Ų | 113 | 135.7 Ų | 135.7 | 69% | 0.693 | 78% | 0.777 | S | S | * | * | trans | -73.3 | 149.1 | -177.9 | 45.4 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 195 | C | 25.1 | Very low | 23.5 | Very low | 127 Ų | 127 | 139.1 Ų | 139.1 | 86% | 0.858 | 78% | 0.782 | S | S | * | * | trans | -135.4 | 85.6 | 147.3 | -73.7 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 196 | T | 24.5 | Very low | 23.3 | Very low | 106 Ų | 106 | 142.3 Ų | 142.3 | 65% | 0.65 | 79% | 0.786 | S | S | * | * | 69.1 | 107.1 | 87 | 62.3 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 197 | N | 22.2 | Very low | 23.2 | Very low | 136 Ų | 136 | 145.5 Ų | 145.5 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | trans | 57.3 | 105.2 | 142 | -58.8 | 0.4 | 0 | 0 | 0 | 120.9 | ||||
| 198 | T | 29.5 | Very low | 23.5 | Very low | 147 Ų | 147 | 143.4 Ų | 143.4 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | -127.5 | 102.5 | 125 | 52.7 | 0 | 0 | 0 | 0 | 109 | |||||
| 199 | N | 22.7 | Very low | 23.3 | Very low | 133 Ų | 133 | 144.6 Ų | 144.6 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | trans | -83.4 | 136.8 | 168.9 | -74.7 | -7.5 | 0 | 0 | 0 | 109.4 | ||||
| 200 | N | 27.9 | Very low | 23.5 | Very low | 157 Ų | 157 | 149.3 Ų | 149.3 | 84% | 0.84 | 79% | 0.789 | S | S | * | * | trans | -169.6 | 96.6 | 138.6 | -99.2 | -7.9 | 0 | 0 | 0 | 110.3 | ||||
| 201 | D | 24.6 | Very low | 23.3 | Very low | 123 Ų | 123 | 149.1 Ų | 149.1 | 66% | 0.658 | 79% | 0.786 | S | S | * | * | trans | 22.8 | 130.2 | 141.2 | -78.3 | -80.4 | 0 | 0 | 0 | 123.3 | ||||
| 202 | Q | 23.3 | Very low | 23.5 | Very low | 166 Ų | 166 | 150.2 Ų | 150.2 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | 95.7 | 157.3 | 124.6 | -79 | 173 | 49.8 | 0 | 0 | 123 | |||||
| 203 | L | 24.2 | Very low | 23.5 | Very low | 160 Ų | 160 | 150 Ų | 150 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | trans | 71.7 | 78.9 | 172.2 | -68.6 | 167.2 | 0 | 0 | 0 | 118.1 | ||||
| 204 | I | 21.9 | Very low | 23.3 | Very low | 152 Ų | 152 | 154.2 Ų | 154.2 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | trans | -41.6 | 130.5 | 138.8 | -60.4 | 157.5 | 0 | 0 | 0 | 110.6 | ||||
| 205 | E | 24.9 | Very low | 23.6 | Very low | 194 Ų | 194 | 154.4 Ų | 154.4 | 91% | 0.907 | 80% | 0.799 | S | S | * | * | trans | -144.2 | 126.9 | 136.5 | -147.1 | 172.9 | -142.9 | 0 | 0 | 109.9 | ||||
| 206 | Q | 21.8 | Very low | 23.5 | Very low | 170 Ų | 170 | 157.4 Ų | 157.4 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | trans | -101.1 | 154.1 | -179.7 | -73.2 | -173.7 | -12.7 | 0 | 0 | 111 | P208 | Q206-P208 WeakPolarHBondContact O-CD 3.38Š| ||
| 207 | K | 21.9 | Very low | 23.7 | Very low | 201 Ų | 201 | 160.8 Ų | 160.8 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | trans | -54.1 | 145 | 172.9 | -59.4 | 171.2 | -178.7 | 171.9 | 0 | 111.4 | ||||
| 208 | P | 26.2 | Very low | 24.3 | Very low | 118 Ų | 118 | 160.2 Ų | 160.2 | 77% | 0.766 | 81% | 0.806 | S | S | * | * | trans | -109.6 | 138.2 | 134.1 | 32.6 | -30.4 | 0 | 0 | 0 | 111.2 | Q206 | Q206-P208 WeakPolarHBondContact O-CD 3.38Š| ||
| 209 | L | 19 | Very low | 24.3 | Very low | 161 Ų | 161 | 162.5 Ų | 162.5 | 84% | 0.843 | 81% | 0.806 | S | S | * | * | trans | -68.7 | 142.5 | 167.2 | -73 | 154.7 | 0 | 0 | 0 | 109.6 | ||||
| 210 | R | 23.8 | Very low | 25.3 | Very low | 230 Ų | 230 | 161 Ų | 161 | 87% | 0.868 | 80% | 0.802 | S | S | * | * | trans | -126.8 | 96 | 165.1 | -153.7 | 178.4 | -162 | 175.2 | 7 | 110.6 | V212 | R210-V212 HydrophobicContact CG-CG2 4.24Š| ||
| 211 | I | 20.1 | Very low | 26.1 | Very low | 149 Ų | 149 | 158 Ų | 158 | 76% | 0.764 | 79% | 0.79 | S | S | * | * | trans | -73.3 | 125 | 167.5 | -60.5 | 171.7 | 0 | 0 | 0 | 107.3 | ||||
| 212 | V | 25.1 | Very low | 26.7 | Very low | 120 Ų | 120 | 158.6 Ų | 158.6 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | trans | -132.9 | 129.3 | 166.3 | -178.3 | 0 | 0 | 0 | 0 | 106.5 | R210 | R210-V212 HydrophobicContact CG-CG2 4.24Š| ||
| 213 | N | 21.3 | Very low | 27.7 | Very low | 139 Ų | 139 | 156.4 Ų | 156.4 | 74% | 0.743 | 79% | 0.785 | S | S | * | * | trans | -72 | 160.2 | -174.1 | -75.4 | -20.8 | 0 | 0 | 0 | 112.6 | ||||
| 214 | Y | 19.9 | Very low | 29.2 | Very low | 236 Ų | 236 | 156 Ų | 156 | 93% | 0.925 | 78% | 0.777 | S | S | * | * | trans | -55.2 | 140.8 | 176.7 | -69.9 | -95.2 | 0 | 0 | 0 | 113 | ||||
| 215 | S | 25.6 | Very low | 30.5 | Very low | 117 Ų | 117 | 155.5 Ų | 155.5 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | -127.4 | 129.2 | 149.6 | 54.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 216 | E | 23.4 | Very low | 32.2 | Very low | 190 Ų | 190 | 149.3 Ų | 149.3 | 89% | 0.888 | 75% | 0.75 | S | S | * | * | trans | -77.1 | 129.3 | 178 | -58.9 | 176.2 | 116.3 | 0 | 0 | 109.9 | ||||
| 217 | E | 29 | Very low | 33.9 | Very low | 177 Ų | 177 | 146.5 Ų | 146.5 | 83% | 0.827 | 74% | 0.738 | S | S | * | * | trans | 176.3 | 169.9 | 141.9 | -102.3 | 177.3 | -168.3 | 0 | 0 | 111.4 | ||||
| 218 | N | 34.1 | Very low | 35.9 | Very low | 125 Ų | 125 | 140 Ų | 140 | 67% | 0.668 | 71% | 0.713 | S | S | * | * | trans | 76.2 | 45.1 | 170.2 | -59.1 | -66.1 | 0 | 0 | 0 | 119 | T220 | N218-T220 VanDerWaalsContact C-N 3.3Å; N218-T220 PolarHBondContact O-N 3.16Å | ||
| 219 | Q | 30.1 | Very low | 37.4 | Very low | 195 Ų | 195 | 139.2 Ų | 139.2 | 91% | 0.911 | 70% | 0.699 | S | S | * | * | trans | -64.4 | 82.8 | 153.5 | -71.4 | -173.1 | -1.4 | 0 | 0 | 111.9 | ||||
| 220 | T | 42.8 | Very low | 39.3 | Very low | 101 Ų | 101 | 138.8 Ų | 138.8 | 62% | 0.62 | 69% | 0.687 | S | S | * | * | trans | -136.5 | -19.2 | 173.7 | 48.6 | 0 | 0 | 0 | 0 | 118.4 | N218 | N218-T220 VanDerWaalsContact C-N 3.3Å; N218-T220 PolarHBondContact O-N 3.16Å | ||
| 221 | P | 45.2 | Very low | 41.5 | Very low | 93 Ų | 93 | 133 Ų | 133 | 60% | 0.604 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -69.6 | -38.7 | 178.8 | -23.8 | 34.7 | 0 | 0 | 0 | 115.4 | I223 K224 | P221-I223 VanDerWaalsContact C-N 3.31Å; P221-I223 PolarHBondContact O-N 2.75Å; P221-K224 WeakPolarHBondContact O-CB 3.38Å; P221-K224 PolarHBondContact O-N 3.48Å |
| 222 | L | 36.5 | Very low | 43.3 | Very low | 137 Ų | 137 | 133.5 Ų | 133.5 | 72% | 0.717 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -62.4 | -28.4 | -168.4 | -90 | 152.1 | 0 | 0 | 0 | 115 | K224 S226 | L222-K224 VanDerWaalsContact C-N 3.28Å; L222-K224 PolarHBondContact O-N 2.74Å; L222-S226 PolarHBondContact O-N 3.3Å; L222-S226 PolarHBondContact O-OG 3.35Å |
| 223 | I | 46.1 | Very low | 44.9 | Very low | 119 Ų | 119 | 132.2 Ų | 132.2 | 61% | 0.61 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -71.8 | -25.3 | 177.4 | -61.5 | 175.9 | 0 | 0 | 0 | 111.2 | P221 S226 M227 | P221-I223 VanDerWaalsContact C-N 3.31Å; P221-I223 PolarHBondContact O-N 2.75Å; I223-S226 PolarHBondContact O-OG 3.35Å; I223-M227 WeakPolarHBondContact O-CB 3.03Å; I223-M227 VanDerWaalsContact O-CG 3.29Å; I223-M227 WeakPolarHBondContact O-CG 3.21Å; I223-M227 PolarHBondContact O-N 3.24Å |
| 224 | K | 55.1 | Low | 46.2 | Very low | 153 Ų | 153 | 129.5 Ų | 129.5 | 67% | 0.665 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -78 | -44.3 | -177.8 | -160.1 | 175.1 | -178.4 | -176.8 | 0 | 112 | P221 L222 M227 D228 | P221-K224 WeakPolarHBondContact O-CB 3.38Å; P221-K224 PolarHBondContact O-N 3.48Å; L222-K224 VanDerWaalsContact C-N 3.28Å; L222-K224 PolarHBondContact O-N 2.74Å; K224-M227 PolarHBondContact O-N 3.37Å; K224-D228 PolarHBondContact O-N 3.03Å |
| 225 | Q | 49.4 | Very low | 47.7 | Very low | 140 Ų | 140 | 123.3 Ų | 123.3 | 65% | 0.654 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -60.9 | -49.2 | 175.8 | -78.3 | 177.7 | -37.5 | 0 | 0 | 111.7 | M227 D228 E229 | Q225-M227 VanDerWaalsContact C-N 3.33Å; Q225-M227 PolarHBondContact O-N 2.74Å; Q225-D228 PolarHBondContact O-N 3.21Å; Q225-E229 WeakPolarHBondContact O-CB 3.41Å; Q225-E229 PolarHBondContact O-N 3.12Å |
| 226 | S | 60.2 | Low | 48.1 | Very low | 65 Ų | 65 | 124.7 Ų | 124.7 | 46% | 0.455 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -61.5 | -36.6 | 178.5 | 50.5 | 0 | 0 | 0 | 0 | 113.2 | L222 I223 Y230 | L222-S226 PolarHBondContact O-N 3.3Å; L222-S226 PolarHBondContact O-OG 3.35Å; I223-S226 PolarHBondContact O-OG 3.35Å; S226-Y230 VanDerWaalsContact O-CB 3.3Å; S226-Y230 WeakPolarHBondContact O-CB 3.38Å; S226-Y230 PolarHBondContact O-N 3.01Å |
| 227 | M | 56.9 | Low | 48.8 | Very low | 110 Ų | 110 | 121.9 Ų | 121.9 | 54% | 0.542 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -68.4 | -37.3 | 174 | -82.3 | -74.3 | 172.8 | 0 | 0 | 113.8 | I223 K224 Q225 K231 | I223-M227 WeakPolarHBondContact O-CB 3.03Å; I223-M227 VanDerWaalsContact O-CG 3.29Å; I223-M227 WeakPolarHBondContact O-CG 3.21Å; I223-M227 PolarHBondContact O-N 3.24Å; K224-M227 PolarHBondContact O-N 3.37Å; Q225-M227 VanDerWaalsContact C-N 3.33Å; Q225-M227 PolarHBondContact O-N 2.74Å; M227-K231 WeakPolarHBondContact O-CG 3.28Å; M227-K231 PolarHBondContact O-N 3.27Å |
| 228 | D | 65 | Low | 49.2 | Very low | 65 Ų | 65 | 118.9 Ų | 118.9 | 35% | 0.348 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -77.4 | -31 | 177.7 | -72.5 | -30.5 | 0 | 0 | 0 | 112.1 | K224 Q225 K231 R232 | K224-D228 PolarHBondContact O-N 3.03Å; Q225-D228 PolarHBondContact O-N 3.21Å; D228-K231 WeakPolarHBondContact O-CB 3.43Å; D228-K231 PolarHBondContact O-N 3.46Å; D228-K231 IonicContact OD1-NZ 2.73Å; D228-K231 PolarHBondContact OD1-NZ 2.93Å; D228-R232 PolarHBondContact O-N 3.23Å; D228-R232 VanDerWaalsContact O-N 3.15Å |
| 229 | E | 57.8 | Low | 49.1 | Very low | 102 Ų | 102 | 119.9 Ų | 119.9 | 48% | 0.477 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -67.7 | -42.6 | 170.3 | -170.6 | 151.9 | -104.7 | 0 | 0 | 112.3 | Q225 K231 R232 N233 | Q225-E229 WeakPolarHBondContact O-CB 3.41Å; Q225-E229 PolarHBondContact O-N 3.12Å; E229-K231 VanDerWaalsContact C-N 3.27Å; E229-K231 PolarHBondContact O-N 3.06Å; E229-R232 WeakPolarHBondContact O-CB 3.47Å; E229-R232 PolarHBondContact O-N 3.18Å; E229-R232 VanDerWaalsContact O-N 3.1Å; E229-R232 IonicContact OE1-NH1 3.34Å; E229-N233 PolarHBondContact O-N 3.46Å |
| 230 | Y | 58.6 | Low | 49.2 | Very low | 151 Ų | 151 | 115.5 Ų | 115.5 | 59% | 0.592 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -57.4 | -39 | 171.6 | -172.1 | -97.3 | 0 | 0 | 0 | 112 | S226 N233 L234 | S226-Y230 VanDerWaalsContact O-CB 3.3Å; S226-Y230 WeakPolarHBondContact O-CB 3.38Å; S226-Y230 PolarHBondContact O-N 3.01Å; Y230-N233 PolarHBondContact O-N 2.85Å; Y230-L234 HydrophobicContact CE1-CD1 4.18Å; Y230-L234 WeakPolarHBondContact O-CB 3.36Å; Y230-L234 PolarHBondContact O-N 3.48Å |
| 231 | K | 68.7 | Low | 48.4 | Very low | 110 Ų | 110 | 115.5 Ų | 115.5 | 48% | 0.478 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -64.7 | -40.1 | 174 | -69.4 | 166.8 | -158.7 | 162.6 | 0 | 112.9 | M227 D228 E229 L234 N235 | M227-K231 WeakPolarHBondContact O-CG 3.28Å; M227-K231 PolarHBondContact O-N 3.27Å; D228-K231 WeakPolarHBondContact O-CB 3.43Å; D228-K231 PolarHBondContact O-N 3.46Å; D228-K231 IonicContact OD1-NZ 2.73Å; D228-K231 PolarHBondContact OD1-NZ 2.93Å; E229-K231 VanDerWaalsContact C-N 3.27Å; E229-K231 PolarHBondContact O-N 3.06Å; K231-L234 PolarHBondContact O-N 3.21Å; K231-N235 PolarHBondContact O-N 3.02Å |
| 232 | R | 59.6 | Low | 47.4 | Very low | 158 Ų | 158 | 118.3 Ų | 118.3 | 60% | 0.596 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -60.9 | -49 | 174.9 | -65.6 | -179 | -159.2 | 140.1 | 1.4 | 110.6 | D228 E229 L234 N235 M236 | D228-R232 PolarHBondContact O-N 3.23Å; D228-R232 VanDerWaalsContact O-N 3.15Å; E229-R232 WeakPolarHBondContact O-CB 3.47Å; E229-R232 PolarHBondContact O-N 3.18Å; E229-R232 VanDerWaalsContact O-N 3.1Å; E229-R232 IonicContact OE1-NH1 3.34Å; R232-L234 VanDerWaalsContact C-N 3.33Å; R232-L234 PolarHBondContact O-N 3.35Å; R232-N235 PolarHBondContact O-N 3.18Å; R232-N235 VanDerWaalsContact O-N 3.12Å; R232-M236 PolarHBondContact O-N 3.19Å |
| 233 | N | 58.4 | Low | 47 | Very low | 94 Ų | 94 | 120.6 Ų | 120.6 | 50% | 0.503 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -62 | -40 | 179.6 | -69 | -21.7 | 0 | 0 | 0 | 111.9 | E229 Y230 N235 M236 L237 | E229-N233 PolarHBondContact O-N 3.46Å; Y230-N233 PolarHBondContact O-N 2.85Å; N233-N235 VanDerWaalsContact C-N 3.33Å; N233-N235 PolarHBondContact O-N 2.94Å; N233-M236 PolarHBondContact O-N 3.22Å; N233-L237 WeakPolarHBondContact O-CG 3.35Å; N233-L237 PolarHBondContact O-N 3.47Å; N233-L237 VanDerWaalsContact O-N 3.13Å |
| 234 | L | 49 | Very low | 46.2 | Very low | 82 Ų | 82 | 121 Ų | 121 | 43% | 0.429 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -66.5 | -32 | 175.4 | -143 | 79.7 | 0 | 0 | 0 | 113.1 | Y230 K231 R232 N238 | Y230-L234 HydrophobicContact CE1-CD1 4.18Å; Y230-L234 WeakPolarHBondContact O-CB 3.36Å; Y230-L234 PolarHBondContact O-N 3.48Å; K231-L234 PolarHBondContact O-N 3.21Å; R232-L234 VanDerWaalsContact C-N 3.33Å; R232-L234 PolarHBondContact O-N 3.35Å; L234-N238 PolarHBondContact O-ND2 3.42Å |
| 235 | N | 50.3 | Low | 44.7 | Very low | 106 Ų | 106 | 122.1 Ų | 122.1 | 57% | 0.567 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -73.8 | -43.7 | 175.7 | -77.2 | -16.6 | 0 | 0 | 0 | 112 | K231 R232 N233 L237 N238 L239 | K231-N235 PolarHBondContact O-N 3.02Å; R232-N235 PolarHBondContact O-N 3.18Å; R232-N235 VanDerWaalsContact O-N 3.12Å; N233-N235 VanDerWaalsContact C-N 3.33Å; N233-N235 PolarHBondContact O-N 2.94Å; N235-L237 VanDerWaalsContact C-N 3.28Å; N235-L237 PolarHBondContact O-N 2.98Å; N235-N238 PolarHBondContact O-N 3.49Å; N235-L239 WeakPolarHBondContact O-CD1 3.48Å |
| 236 | M | 35 | Very low | 43.6 | Very low | 146 Ų | 146 | 122.4 Ų | 122.4 | 72% | 0.719 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -57.4 | -41.4 | 175.2 | -70.5 | -61.4 | -71.1 | 0 | 0 | 111.8 | R232 N233 N238 | R232-M236 PolarHBondContact O-N 3.19Å; N233-M236 PolarHBondContact O-N 3.22Å; M236-N238 PolarHBondContact O-N 3.17Å |
| 237 | L | 37.7 | Very low | 42 | Very low | 131 Ų | 131 | 128.3 Ų | 128.3 | 69% | 0.686 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -69.2 | -6.9 | 176.5 | -72.1 | 169.7 | 0 | 0 | 0 | 114.8 | N233 N235 | N233-L237 WeakPolarHBondContact O-CG 3.35Å; N233-L237 PolarHBondContact O-N 3.47Å; N233-L237 VanDerWaalsContact O-N 3.13Å; N235-L237 VanDerWaalsContact C-N 3.28Å; N235-L237 PolarHBondContact O-N 2.98Å |
| 238 | N | 36.3 | Very low | 40.4 | Very low | 114 Ų | 114 | 130 Ų | 130 | 61% | 0.61 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -105.4 | -10.5 | 179.8 | -88.1 | -79.5 | 0 | 0 | 0 | 114.9 | L234 N235 M236 | L234-N238 PolarHBondContact O-ND2 3.42Å; N235-N238 PolarHBondContact O-N 3.49Å; M236-N238 PolarHBondContact O-N 3.17Å |
| 239 | L | 33.2 | Very low | 38.5 | Very low | 145 Ų | 145 | 131.8 Ų | 131.8 | 76% | 0.759 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -89.5 | -25.9 | 179.2 | -89.2 | 79.9 | 0 | 0 | 0 | 114.1 | N235 S241 | N235-L239 WeakPolarHBondContact O-CD1 3.48Å; L239-S241 PolarHBondContact O-N 3.36Å |
| 240 | S | 32.7 | Very low | 36.9 | Very low | 104 Ų | 104 | 133.2 Ų | 133.2 | 73% | 0.727 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | 17.3 | -172.4 | 56.6 | 0 | 0 | 0 | 0 | 116 | ||
| 241 | S | 25.6 | Very low | 35.3 | Very low | 101 Ų | 101 | 133.4 Ų | 133.4 | 71% | 0.706 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.6 | 15.8 | -168.7 | -135.4 | 0 | 0 | 0 | 0 | 115.6 | L239 | L239-S241 PolarHBondContact O-N 3.36Š|
| 242 | N | 24.5 | Very low | 33.2 | Very low | 151 Ų | 151 | 133.5 Ų | 133.5 | 81% | 0.807 | 69% | 0.689 | S | S | * | * | trans | -143.3 | 83.2 | 177.1 | -74.8 | -59.8 | 0 | 0 | 0 | 113.3 | ||||
| 243 | M | 27.8 | Very low | 31.7 | Very low | 186 Ų | 186 | 133.5 Ų | 133.5 | 92% | 0.916 | 70% | 0.696 | S | S | * | * | trans | -146.7 | 137 | 148.2 | -85.6 | -141.9 | 164.4 | 0 | 0 | 113.5 | ||||
| 244 | V | 28.7 | Very low | 29.9 | Very low | 126 Ų | 126 | 136 Ų | 136 | 76% | 0.764 | 71% | 0.705 | S | S | * | * | trans | 0.6 | 127.7 | 148.1 | -174.9 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 245 | K | 23.5 | Very low | 28.8 | Very low | 177 Ų | 177 | 139 Ų | 139 | 77% | 0.77 | 72% | 0.721 | S | S | * | * | cis | 69.9 | 90.9 | 42.3 | -76.5 | -164.9 | 170.6 | -171.1 | 0 | 117.2 | ||||
| 246 | N | 26.4 | Very low | 27.6 | Very low | 146 Ų | 146 | 142.1 Ų | 142.1 | 78% | 0.781 | 73% | 0.732 | S | S | * | * | 159.9 | 141.5 | 112.1 | -83.3 | -15.5 | 0 | 0 | 0 | 113.9 | |||||
| 247 | K | 26.8 | Very low | 27.1 | Very low | 189 Ų | 189 | 139.7 Ų | 139.7 | 82% | 0.822 | 73% | 0.73 | S | S | * | * | trans | 57.9 | 169.4 | 151.9 | -74.1 | -163.6 | 164.9 | -166.1 | 0 | 119.8 | ||||
| 248 | Q | 22.8 | Very low | 26.7 | Very low | 147 Ų | 147 | 142.6 Ų | 142.6 | 69% | 0.687 | 74% | 0.739 | S | S | * | * | -176.8 | 151.1 | -53.1 | -135.6 | 178.5 | -45.4 | 0 | 0 | 108.6 | |||||
| 249 | T | 25.3 | Very low | 26 | Very low | 101 Ų | 101 | 141.3 Ų | 141.3 | 62% | 0.62 | 74% | 0.739 | S | S | * | * | trans | 63.1 | 151.4 | 157.4 | 61.8 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 250 | D | 24.2 | Very low | 25.7 | Very low | 133 Ų | 133 | 140.8 Ų | 140.8 | 71% | 0.711 | 74% | 0.737 | S | S | * | * | cis | 178.1 | 161.4 | -25.1 | -86.5 | -21.4 | 0 | 0 | 0 | 105.9 | ||||
| 251 | E | 24.9 | Very low | 25.4 | Very low | 154 Ų | 154 | 141.2 Ų | 141.2 | 72% | 0.72 | 74% | 0.74 | S | S | * | * | cis | -161.3 | 164 | -7.1 | -121.8 | -167.8 | 141.7 | 0 | 0 | 111.3 | ||||
| 252 | I | 24.9 | Very low | 25.7 | Very low | 112 Ų | 112 | 145.2 Ų | 145.2 | 57% | 0.574 | 75% | 0.748 | S | S | * | * | trans | 64.3 | 116 | 148.1 | -59 | 158.4 | 0 | 0 | 0 | 123.1 | ||||
| 253 | H | 27.8 | Very low | 26.1 | Very low | 158 Ų | 158 | 145.5 Ų | 145.5 | 73% | 0.731 | 75% | 0.748 | S | S | * | * | 173.3 | 127.4 | 121.2 | -93.5 | -71.9 | 0 | 0 | 0 | 107.5 | |||||
| 254 | Q | 21.5 | Very low | 26.3 | Very low | 148 Ų | 148 | 143.5 Ų | 143.5 | 69% | 0.692 | 74% | 0.741 | S | S | * | * | 61.5 | 114.2 | 72.3 | -70.9 | -174.3 | -62.3 | 0 | 0 | 112.2 | |||||
| 255 | D | 25.8 | Very low | 26.6 | Very low | 143 Ų | 143 | 144.6 Ų | 144.6 | 77% | 0.765 | 74% | 0.742 | S | S | * | * | -159.2 | 171.4 | 61.1 | -93.5 | -35.8 | 0 | 0 | 0 | 118.1 | |||||
| 256 | E | 24.5 | Very low | 27.3 | Very low | 172 Ų | 172 | 141.1 Ų | 141.1 | 80% | 0.804 | 74% | 0.74 | S | S | * | * | trans | 42.5 | 122.2 | 157.2 | -60.8 | -164 | 144.4 | 0 | 0 | 126 | ||||
| 257 | S | 24.1 | Very low | 27.9 | Very low | 96 Ų | 96 | 138 Ų | 138 | 67% | 0.671 | 73% | 0.727 | S | S | * | * | trans | 13.6 | 131.5 | 149.8 | 58 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 258 | H | 28.6 | Very low | 28.5 | Very low | 192 Ų | 192 | 136.6 Ų | 136.6 | 89% | 0.889 | 72% | 0.723 | S | S | * | * | -150.4 | 177.8 | 115.6 | -107.7 | -70.5 | 0 | 0 | 0 | 110.9 | |||||
| 259 | S | 23.4 | Very low | 29.4 | Very low | 87 Ų | 87 | 134.8 Ų | 134.8 | 61% | 0.608 | 73% | 0.727 | S | S | * | * | trans | -104.9 | -178.3 | -157 | 51.6 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 260 | D | 25.2 | Very low | 30.2 | Very low | 134 Ų | 134 | 135 Ų | 135 | 72% | 0.717 | 72% | 0.723 | S | S | * | * | trans | 79.2 | 89.9 | 155.1 | -51.2 | -46.8 | 0 | 0 | 0 | 120.3 | ||||
| 261 | S | 27.2 | Very low | 30.8 | Very low | 112 Ų | 112 | 132.9 Ų | 132.9 | 78% | 0.783 | 71% | 0.711 | S | S | * | * | 42.3 | 106.7 | 129.8 | 61.9 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 262 | E | 31.9 | Very low | 31.6 | Very low | 186 Ų | 186 | 135.7 Ų | 135.7 | 87% | 0.869 | 72% | 0.716 | S | S | * | * | trans | -148.2 | 159.7 | 138.9 | -128.9 | 178 | -154.5 | 0 | 0 | 114.7 | ||||
| 263 | L | 33.2 | Very low | 32.3 | Very low | 156 Ų | 156 | 139.3 Ų | 139.3 | 82% | 0.817 | 73% | 0.727 | S | S | * | * | trans | -57.5 | 138.2 | -159.7 | -65.9 | 154.8 | 0 | 0 | 0 | 117.1 | ||||
| 264 | N | 31.1 | Very low | 32.5 | Very low | 145 Ų | 145 | 136 Ų | 136 | 78% | 0.775 | 71% | 0.714 | S | S | * | * | trans | -83.7 | 123.9 | 172.9 | -89.8 | -95.7 | 0 | 0 | 0 | 112.8 | ||||
| 265 | L | 34.7 | Very low | 33.3 | Very low | 148 Ų | 148 | 138.6 Ų | 138.6 | 78% | 0.775 | 72% | 0.718 | S | S | * | * | trans | -109.2 | 129.9 | 164.9 | -86.7 | 83.6 | 0 | 0 | 0 | 113 | ||||
| 266 | S | 38.2 | Very low | 33.8 | Very low | 105 Ų | 105 | 136 Ų | 136 | 73% | 0.734 | 72% | 0.717 | S | S | * | * | trans | 64 | 58 | 156.2 | 70.2 | 0 | 0 | 0 | 0 | 119.5 | E268 | S266-E268 VanDerWaalsContact C-N 3.31Å; S266-E268 PolarHBondContact O-N 3.49Å | ||
| 267 | T | 40.8 | Very low | 34.3 | Very low | 81 Ų | 81 | 135.5 Ų | 135.5 | 50% | 0.497 | 72% | 0.715 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.6 | -4.2 | -180 | 54 | 0 | 0 | 0 | 0 | 116.7 | N271 | T267-N271 WeakPolarHBondContact O-CB 3.41Å; T267-N271 PolarHBondContact O-N 3.13Å; T267-N271 PolarHBondContact O-ND2 2.96Å |
| 268 | E | 37.6 | Very low | 35.6 | Very low | 158 Ų | 158 | 134.9 Ų | 134.9 | 74% | 0.738 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | -31.8 | -172.9 | -92.6 | -153.7 | 119.3 | 0 | 0 | 115.8 | S266 | S266-E268 VanDerWaalsContact C-N 3.31Å; S266-E268 PolarHBondContact O-N 3.49Å |
| 269 | S | 42 | Very low | 36.7 | Very low | 110 Ų | 110 | 134.1 Ų | 134.1 | 77% | 0.769 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | -34.3 | -178 | -74.1 | 0 | 0 | 0 | 0 | 113 | ||
| 270 | I | 43.1 | Very low | 38.7 | Very low | 106 Ų | 106 | 132.7 Ų | 132.7 | 54% | 0.544 | 69% | 0.686 | S | S | . | * | G | 310 helix | trans | -79 | -36.3 | -178.5 | -63.8 | 174.8 | 0 | 0 | 0 | 111.1 | R272 K273 N274 | I270-R272 PolarHBondContact O-N 3.32Å; I270-K273 PolarHBondContact O-N 3.28Å; I270-N274 PolarHBondContact O-N 3.43Å |
| 271 | N | 37.1 | Very low | 40.7 | Very low | 87 Ų | 87 | 133 Ų | 133 | 47% | 0.465 | 68% | 0.683 | S | S | . | * | G | 310 helix | trans | -66 | -4.8 | -177.4 | -88.1 | -52.4 | 0 | 0 | 0 | 115.7 | T267 | T267-N271 WeakPolarHBondContact O-CB 3.41Å; T267-N271 PolarHBondContact O-N 3.13Å; T267-N271 PolarHBondContact O-ND2 2.96Å |
| 272 | R | 40 | Very low | 43.1 | Very low | 214 Ų | 214 | 129.6 Ų | 129.6 | 81% | 0.808 | 66% | 0.658 | S | S | * | * | G | 310 helix | trans | -84 | -16.3 | 168.6 | -63.9 | -168 | -172.4 | -172 | 5.8 | 114.1 | I270 | I270-R272 PolarHBondContact O-N 3.32Š|
| 273 | K | 41.2 | Very low | 45.3 | Very low | 188 Ų | 188 | 127.1 Ų | 127.1 | 82% | 0.817 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.3 | -43.7 | 173.1 | -71.2 | -174 | 177.5 | 177.2 | 0 | 112.1 | I270 R275 | I270-K273 PolarHBondContact O-N 3.28Å; K273-R275 PolarHBondContact O-N 3.07Å |
| 274 | N | 30.6 | Very low | 47.5 | Very low | 87 Ų | 87 | 121.4 Ų | 121.4 | 47% | 0.465 | 62% | 0.616 | S | S | . | * | G | 310 helix | trans | -77.3 | 9.5 | -172.4 | -62.8 | 23.6 | 0 | 0 | 0 | 114.4 | I270 A276 E277 | I270-N274 PolarHBondContact O-N 3.43Å; N274-A276 PolarHBondContact O-N 3.02Å; N274-E277 PolarHBondContact O-N 3.3Å; N274-E277 VanDerWaalsContact O-N 3.13Å |
| 275 | R | 38.1 | Very low | 49.5 | Very low | 203 Ų | 203 | 120.4 Ų | 120.4 | 77% | 0.766 | 61% | 0.61 | S | S | * | * | G | 310 helix | trans | -62.4 | -12.7 | -178.9 | -171.9 | 168.9 | -178 | 162.2 | 6.4 | 114.2 | K273 | K273-R275 PolarHBondContact O-N 3.07Š|
| 276 | A | 37 | Very low | 51.4 | Low | 90 Ų | 90 | 121 Ų | 121 | 74% | 0.744 | 60% | 0.602 | S | S | * | * | G | 310 helix | trans | -84.4 | -27.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114 | N274 | N274-A276 PolarHBondContact O-N 3.02Š|
| 277 | E | 36 | Very low | 53.5 | Low | 161 Ų | 161 | 118.7 Ų | 118.7 | 75% | 0.752 | 60% | 0.596 | S | S | * | * | trans | -127.4 | 17.9 | -156.8 | -72.1 | 178 | 175 | 0 | 0 | 115.1 | N274 K279 | N274-E277 PolarHBondContact O-N 3.3Å; N274-E277 VanDerWaalsContact O-N 3.13Å; E277-K279 VanDerWaalsContact C-N 3.34Å; E277-K279 PolarHBondContact O-N 2.87Å | ||
| 278 | V | 49.5 | Very low | 55.3 | Low | 83 Ų | 83 | 123.2 Ų | 123.2 | 50% | 0.503 | 62% | 0.617 | S | S | . | * | trans | -66.8 | 95.6 | 166.9 | -174.5 | 0 | 0 | 0 | 0 | 108.8 | I280 R305 | V278-I280 HydrophobicContact CG1-CG1 3.87Å; V278-I280 PolarHBondContact O-N 2.95Å; V278-R305 PolarHBondContact O-NH2 3.11Å | ||
| 279 | K | 51.8 | Low | 57.3 | Low | 176 Ų | 176 | 120 Ų | 120 | 77% | 0.765 | 60% | 0.603 | S | S | * | * | trans | -69 | 68 | 174.9 | -68.8 | -175.8 | 179.5 | 179.1 | 0 | 110.9 | E277 Q281 | E277-K279 VanDerWaalsContact C-N 3.34Å; E277-K279 PolarHBondContact O-N 2.87Å; K279-Q281 PolarHBondContact O-N 2.82Å | ||
| 280 | I | 65.7 | Low | 59.2 | Low | 57 Ų | 57 | 119.6 Ų | 119.6 | 29% | 0.292 | 59% | 0.59 | S | S | . | * | trans | -62.8 | 108.7 | 166.9 | -47.7 | 176.6 | 0 | 0 | 0 | 107.5 | V278 F292 R305 L308 L312 | V278-I280 HydrophobicContact CG1-CG1 3.87Å; V278-I280 PolarHBondContact O-N 2.95Å; I280-F292 HydrophobicContact CG2-CD1 4.25Å; I280-R305 PolarHBondContact O-NH1 3.36Å; I280-L308 HydrophobicContact CD1-CD2 3.87Å; I280-L308 HydrophobicContact CG2-CD2 3.73Å; I280-L312 HydrophobicContact CD1-CD1 4.29Å | ||
| 281 | Q | 67.8 | Low | 61.2 | Low | 141 Ų | 141 | 114.9 Ų | 114.9 | 66% | 0.659 | 57% | 0.566 | S | S | * | * | trans | -75.5 | 155.4 | 174.4 | -61.6 | -66.9 | 20.5 | 0 | 0 | 110.6 | K279 | K279-Q281 PolarHBondContact O-N 2.82Š| ||
| 282 | P | 77.1 | Confident | 63.6 | Low | 40 Ų | 40 | 111 Ų | 111 | 26% | 0.26 | 55% | 0.545 | S | S | . | . | trans | -60.6 | 146.2 | 160.6 | 28.9 | -34.5 | 0 | 0 | 0 | 109.6 | E290 F292 | P282-E290 HydrophobicContact CB-CB 3.99Å; P282-E290 HydrophobicContact CB-CG 4.17Å; P282-E290 HydrophobicContact CG-CG 4.26Å; P282-F292 HydrophobicContact CB-CE1 4.32Å; P282-F292 HydrophobicContact CB-CZ 4.31Å | ||
| 283 | Y | 78.1 | Confident | 65.7 | Low | 134 Ų | 134 | 106 Ų | 106 | 53% | 0.525 | 53% | 0.526 | S | S | . | . | S | Bend | trans | -87.5 | -28.4 | 176.4 | 109.6 | -91.1 | 0 | 0 | 0 | 111.5 | V291 R293 | Y283-V291 HydrophobicContact CD1-CB 4.41Å; Y283-V291 HydrophobicContact CD1-CG1 4.23Å; Y283-V291 WeakPolarHBondContact CD1-O 3.47Å; Y283-V291 HydrophobicContact CE1-CB 4.32Å; Y283-V291 HydrophobicContact CE1-CG1 3.88Å; Y283-V291 PolarHBondContact N-O 3.05Å; Y283-R293 HydrophobicContact CD1-CB 3.72Å; Y283-R293 HydrophobicContact CE1-CB 4.27Å; Y283-R293 HydrophobicContact CG-CB 3.95Å |
| 284 | A | 79.6 | Confident | 67.8 | Low | 35 Ų | 35 | 97.1 Ų | 97.1 | 29% | 0.289 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 157.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | V291 | A284-V291 PolarHBondContact N-O 3.21Å; A284-V291 PolarHBondContact O-N 2.84Å |
| 285 | L | 74.3 | Confident | 70.1 | Confident | 124 Ų | 124 | 98 Ų | 98 | 65% | 0.649 | 50% | 0.498 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108 | 122.6 | 168 | -72.8 | 169 | 0 | 0 | 0 | 108.6 | E290 | L285-E290 HydrophobicContact CD2-CG 4.13Å |
| 286 | R | 74.4 | Confident | 71.9 | Confident | 160 Ų | 160 | 92.8 Ų | 92.8 | 60% | 0.604 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -105.2 | 80.8 | 174.8 | -165.8 | 175.4 | -172.6 | 173.1 | 3.7 | 108.9 | I289 V291 E301 | R286-I289 PolarHBondContact N-O 3.27Å; R286-V291 HydrophobicContact CB-CG2 3.79Å; R286-E301 IonicContact CZ-OE1 2.69Å; R286-E301 IonicContact NH1-OE1 3.89Å; R286-E301 PolarHBondContact NH1-OE1 3.27Å |
| 287 | G | 81.2 | Confident | 74 | Confident | 58 Ų | 58 | 91 Ų | 91 | 60% | 0.598 | 47% | 0.466 | S | S | * | . | S | Bend | trans | 62.8 | -142.2 | -158.5 | 0 | 0 | 0 | 0 | 0 | 110 | I289 | G287-I289 PolarHBondContact O-N 3.13Š|
| 288 | N | 78.7 | Confident | 75.5 | Confident | 176 Ų | 176 | 85.9 Ų | 85.9 | 94% | 0.941 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -76.4 | 25.4 | -176.8 | -58.2 | 7.6 | 0 | 0 | 0 | 113.9 | ||
| 289 | I | 79.6 | Confident | 76.3 | Confident | 89 Ų | 89 | 88.2 Ų | 88.2 | 46% | 0.456 | 45% | 0.451 | S | S | . | . | trans | -122.3 | 118.1 | -177.1 | -56.5 | 179.5 | 0 | 0 | 0 | 109.8 | R286 G287 V291 F303 | R286-I289 PolarHBondContact N-O 3.27Å; G287-I289 PolarHBondContact O-N 3.13Å; I289-V291 PolarHBondContact O-N 3.05Å; I289-F303 HydrophobicContact CG2-CB 4.26Å; I289-F303 HydrophobicContact CG2-CD1 4.04Å | ||
| 290 | E | 83.3 | Confident | 76.7 | Confident | 102 Ų | 102 | 83.1 Ų | 83.1 | 48% | 0.477 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 116.1 | 169.2 | -68.9 | 179.8 | 171.9 | 0 | 0 | 111.3 | P282 L285 F292 | P282-E290 HydrophobicContact CB-CB 3.99Å; P282-E290 HydrophobicContact CB-CG 4.17Å; P282-E290 HydrophobicContact CG-CG 4.26Å; L285-E290 HydrophobicContact CD2-CG 4.13Å; E290-F292 HydrophobicContact CB-CD2 4.41Å; E290-F292 HydrophobicContact CB-CE2 3.57Å; E290-F292 HydrophobicContact CB-CZ 4.03Å; E290-F292 VanDerWaalsContact OE2-CZ 3.29Å; E290-F292 WeakPolarHBondContact OE2-CZ 3.3Å |
| 291 | V | 84.7 | Confident | 77.1 | Confident | 8 Ų | 8 | 86 Ų | 86 | 5% | 0.048 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 125.3 | 174.1 | -168.5 | 0 | 0 | 0 | 0 | 109.4 | Y283 A284 R286 I289 D300 F303 | Y283-V291 HydrophobicContact CD1-CB 4.41Å; Y283-V291 HydrophobicContact CD1-CG1 4.23Å; Y283-V291 WeakPolarHBondContact CD1-O 3.47Å; Y283-V291 HydrophobicContact CE1-CB 4.32Å; Y283-V291 HydrophobicContact CE1-CG1 3.88Å; Y283-V291 PolarHBondContact N-O 3.05Å; A284-V291 PolarHBondContact N-O 3.21Å; A284-V291 PolarHBondContact O-N 2.84Å; R286-V291 HydrophobicContact CB-CG2 3.79Å; I289-V291 PolarHBondContact O-N 3.05Å; V291-D300 WeakPolarHBondContact CG1-O 3.41Å; V291-F303 HydrophobicContact CG2-CD1 4.1Å; V291-F303 HydrophobicContact CG2-CE1 4.13Å |
| 292 | F | 88.1 | Confident | 77.5 | Confident | 4 Ų | 4 | 80 Ų | 80 | 2% | 0.018 | 42% | 0.417 | C | S | . | . | B | Isolated β-bridge | trans | -107 | 129.8 | 177.6 | -62.6 | -93 | 0 | 0 | 0 | 110.2 | I280 P282 E290 I302 R305 L308 | I280-F292 HydrophobicContact CG2-CD1 4.25Å; P282-F292 HydrophobicContact CB-CE1 4.32Å; P282-F292 HydrophobicContact CB-CZ 4.31Å; E290-F292 HydrophobicContact CB-CD2 4.41Å; E290-F292 HydrophobicContact CB-CE2 3.57Å; E290-F292 HydrophobicContact CB-CZ 4.03Å; E290-F292 VanDerWaalsContact OE2-CZ 3.29Å; E290-F292 WeakPolarHBondContact OE2-CZ 3.3Å; F292-I302 HydrophobicContact CB-CB 4.47Å; F292-I302 PolarHBondContact N-O 2.76Å; F292-I302 VanDerWaalsContact O-CB 3.22Å; F292-I302 WeakPolarHBondContact O-CB 3.42Å; F292-I302 PolarHBondContact O-N 3.45Å; F292-R305 HydrophobicContact CE1-CB 4.32Å; F292-R305 HydrophobicContact CE2-CB 4.08Å; F292-R305 HydrophobicContact CZ-CB 3.85Å; F292-L308 HydrophobicContact CB-CB 4.2Å; F292-L308 HydrophobicContact CB-CD1 4.28Å; F292-L308 HydrophobicContact CB-CD2 4.02Å; F292-L308 HydrophobicContact CB-CG 4.38Å; F292-L308 HydrophobicContact CD1-CD2 4.06Å; F292-L308 HydrophobicContact CG-CD2 4.28Å |
| 293 | R | 83.1 | Confident | 77.5 | Confident | 111 Ų | 111 | 82.5 Ų | 82.5 | 42% | 0.419 | 42% | 0.424 | S | S | . | . | trans | -91.1 | 140.6 | 169.6 | -177.9 | 169.5 | 169.4 | 145.8 | -14.9 | 109.7 | Y283 P295 S298 D300 | Y283-R293 HydrophobicContact CD1-CB 3.72Å; Y283-R293 HydrophobicContact CE1-CB 4.27Å; Y283-R293 HydrophobicContact CG-CB 3.95Å; R293-P295 WeakPolarHBondContact O-CD 3.38Å; R293-S298 PolarHBondContact NE-OG 3.22Å; R293-S298 VanDerWaalsContact NH2-CB 3.31Å; R293-S298 PolarHBondContact NH2-OG 2.93Å; R293-D300 WeakPolarHBondContact CD-OD1 3.41Å; R293-D300 IonicContact CZ-OD1 3.85Å; R293-D300 IonicContact NE-OD1 2.96Å; R293-D300 IonicContact NH1-OD1 3.29Å; R293-D300 PolarHBondContact NH1-OD1 3.18Å | ||
| 294 | C | 85.8 | Confident | 77.7 | Confident | 0 Ų | 0 | 78.1 Ų | 78.1 | 0% | 0 | 41% | 0.413 | C | S | . | . | trans | -83 | 121.5 | 174.3 | -176.1 | 0 | 0 | 0 | 0 | 111.5 | L296 C297 S298 K299 I302 L308 H311 | C294-L296 PolarHBondContact O-N 3.38Å; C294-L296 VanDerWaalsContact O-N 3.15Å; C294-L296 PolarHBondContact SG-N 2.82Å; C294-L296 VanDerWaalsContact SG-N 3.42Å; C294-C297 PolarHBondContact O-N 3.05Å; C294-S298 WeakPolarHBondContact O-CA 3.49Å; C294-S298 PolarHBondContact O-N 3.04Å; C294-K299 PolarHBondContact N-O 3.3Å; C294-I302 HydrophobicContact CB-CD1 3.88Å; C294-L308 HydrophobicContact CB-CD1 4.26Å; C294-H311 VanDerWaalsContact CB-CD2 3.49Å; C294-H311 WeakPolarHBondContact CB-CD2 3.26Å; C294-H311 VanDerWaalsContact CB-NE2 3.31Å; C294-H311 WeakPolarHBondContact CB-NE2 3.44Å; C294-H311 PolarHBondContact SG-CD2 3.16Å; C294-H311 PolarHBondContact SG-NE2 2.98Å | ||
| 295 | P | 78.7 | Confident | 77.9 | Confident | 105 Ų | 105 | 81.4 Ų | 81.4 | 68% | 0.682 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -11.7 | 177.6 | 28.1 | -35.6 | 0 | 0 | 0 | 114 | R293 | R293-P295 WeakPolarHBondContact O-CD 3.38Š|
| 296 | L | 75 | Confident | 78.5 | Confident | 95 Ų | 95 | 77.4 Ų | 77.4 | 50% | 0.497 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103 | -6.5 | -176.4 | -59.6 | 179.6 | 0 | 0 | 0 | 114.6 | C294 L312 H315 | C294-L296 PolarHBondContact O-N 3.38Å; C294-L296 VanDerWaalsContact O-N 3.15Å; C294-L296 PolarHBondContact SG-N 2.82Å; C294-L296 VanDerWaalsContact SG-N 3.42Å; L296-L312 HydrophobicContact CD1-CD2 3.92Å; L296-L312 HydrophobicContact CG-CD2 4.27Å; L296-H315 VanDerWaalsContact C-CE1 3.46Å; L296-H315 VanDerWaalsContact CB-CE1 3.47Å; L296-H315 WeakPolarHBondContact CB-CE1 3.26Å; L296-H315 HydrophobicContact CD1-CB 3.84Å; L296-H315 PolarHBondContact O-CE1 2.83Å |
| 297 | C | 81.1 | Confident | 79 | Confident | 51 Ų | 51 | 75.3 Ų | 75.3 | 35% | 0.345 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -149.3 | 3.1 | 171.1 | 63.7 | 0 | 0 | 0 | 0 | 115.3 | C294 K299 H311 H315 | C294-C297 PolarHBondContact O-N 3.05Å; C297-K299 PolarHBondContact O-N 3.35Å; C297-K299 VanDerWaalsContact O-N 3.07Å; C297-H311 VanDerWaalsContact SG-CE1 3.56Å; C297-H311 PolarHBondContact SG-NE2 3.22Å; C297-H315 PolarHBondContact SG-NE2 2.96Å |
| 298 | S | 67.8 | Low | 79.3 | Confident | 54 Ų | 54 | 72.6 Ų | 72.6 | 38% | 0.378 | 38% | 0.375 | S | S | . | . | trans | 50.7 | 30.6 | -177.1 | -69.8 | 0 | 0 | 0 | 0 | 114.8 | R293 C294 D300 | R293-S298 PolarHBondContact NE-OG 3.22Å; R293-S298 VanDerWaalsContact NH2-CB 3.31Å; R293-S298 PolarHBondContact NH2-OG 2.93Å; C294-S298 WeakPolarHBondContact O-CA 3.49Å; C294-S298 PolarHBondContact O-N 3.04Å; S298-D300 PolarHBondContact O-N 3.43Å | ||
| 299 | K | 66.8 | Low | 79.5 | Confident | 133 Ų | 133 | 67.9 Ų | 67.9 | 58% | 0.578 | 35% | 0.353 | S | S | * | . | trans | -70.7 | 117.4 | 166.4 | -74.7 | -176.9 | -179.2 | -170.1 | 0 | 109 | C294 C297 | C294-K299 PolarHBondContact N-O 3.3Å; C297-K299 PolarHBondContact O-N 3.35Å; C297-K299 VanDerWaalsContact O-N 3.07Å | ||
| 300 | D | 59.4 | Low | 79.6 | Confident | 68 Ų | 68 | 68.7 Ų | 68.7 | 36% | 0.364 | 36% | 0.358 | S | S | . | . | trans | -80.1 | -19.9 | -167 | -63.7 | -60.2 | 0 | 0 | 0 | 114.9 | V291 R293 S298 | V291-D300 WeakPolarHBondContact CG1-O 3.41Å; R293-D300 WeakPolarHBondContact CD-OD1 3.41Å; R293-D300 IonicContact CZ-OD1 3.85Å; R293-D300 IonicContact NE-OD1 2.96Å; R293-D300 IonicContact NH1-OD1 3.29Å; R293-D300 PolarHBondContact NH1-OD1 3.18Å; S298-D300 PolarHBondContact O-N 3.43Å | ||
| 301 | E | 74.3 | Confident | 79.6 | Confident | 117 Ų | 117 | 65.7 Ų | 65.7 | 55% | 0.547 | 34% | 0.344 | S | S | . | . | trans | -113.8 | 82.2 | -173.6 | -68.8 | -161.5 | 148.8 | 0 | 0 | 112.8 | R286 F303 | R286-E301 IonicContact CZ-OE1 2.69Å; R286-E301 IonicContact NH1-OE1 3.89Å; R286-E301 PolarHBondContact NH1-OE1 3.27Å; E301-F303 HydrophobicContact CB-CE2 3.74Å; E301-F303 HydrophobicContact CB-CZ 3.75Å; E301-F303 HydrophobicContact CG-CE2 4.35Å; E301-F303 HydrophobicContact CG-CZ 3.88Å | ||
| 302 | I | 77.2 | Confident | 79.4 | Confident | 16 Ų | 16 | 67 Ų | 67 | 8% | 0.082 | 35% | 0.351 | C | S | . | . | B | Isolated β-bridge | trans | -120.6 | 93.2 | 169.4 | -47.1 | 177.2 | 0 | 0 | 0 | 110.2 | F292 C294 S304 H307 L308 H311 | F292-I302 HydrophobicContact CB-CB 4.47Å; F292-I302 PolarHBondContact N-O 2.76Å; F292-I302 VanDerWaalsContact O-CB 3.22Å; F292-I302 WeakPolarHBondContact O-CB 3.42Å; F292-I302 PolarHBondContact O-N 3.45Å; C294-I302 HydrophobicContact CB-CD1 3.88Å; I302-S304 PolarHBondContact O-N 3.42Å; I302-H307 HydrophobicContact CG2-CB 3.52Å; I302-L308 HydrophobicContact CD1-CD1 3.82Å; I302-L308 HydrophobicContact CG2-CB 4.14Å; I302-L308 VanDerWaalsContact CG2-N 3.34Å; I302-H311 HydrophobicContact CD1-CB 4.33Å; I302-H311 WeakPolarHBondContact CD1-CD2 3.38Å |
| 303 | F | 77 | Confident | 79.1 | Confident | 92 Ų | 92 | 71.1 Ų | 71.1 | 40% | 0.404 | 37% | 0.37 | S | S | . | . | trans | -75.3 | 20.7 | -169.8 | -56.5 | -75.6 | 0 | 0 | 0 | 116.6 | I289 V291 E301 | I289-F303 HydrophobicContact CG2-CB 4.26Å; I289-F303 HydrophobicContact CG2-CD1 4.04Å; V291-F303 HydrophobicContact CG2-CD1 4.1Å; V291-F303 HydrophobicContact CG2-CE1 4.13Å; E301-F303 HydrophobicContact CB-CE2 3.74Å; E301-F303 HydrophobicContact CB-CZ 3.75Å; E301-F303 HydrophobicContact CG-CE2 4.35Å; E301-F303 HydrophobicContact CG-CZ 3.88Å | ||
| 304 | S | 82.4 | Confident | 78.7 | Confident | 43 Ų | 43 | 69.5 Ų | 69.5 | 30% | 0.301 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -167.2 | 154.7 | 157.5 | 77.4 | 0 | 0 | 0 | 0 | 112.9 | I302 G306 H307 L308 | I302-S304 PolarHBondContact O-N 3.42Å; S304-G306 PolarHBondContact O-N 3.37Å; S304-G306 VanDerWaalsContact O-N 3.12Å; S304-G306 PolarHBondContact OG-N 3.29Å; S304-H307 PolarHBondContact O-N 3.47Å; S304-H307 PolarHBondContact OG-N 3.22Å; S304-H307 PolarHBondContact OG-ND1 3.4Å; S304-L308 PolarHBondContact O-N 3.21Å |
| 305 | R | 83.9 | Confident | 78.3 | Confident | 103 Ų | 103 | 70.7 Ų | 70.7 | 39% | 0.389 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -51.4 | -32.9 | 171 | -170.3 | 179.8 | 179.7 | 87.9 | 1.8 | 113.3 | V278 I280 F292 T309 | V278-R305 PolarHBondContact O-NH2 3.11Å; I280-R305 PolarHBondContact O-NH1 3.36Å; F292-R305 HydrophobicContact CE1-CB 4.32Å; F292-R305 HydrophobicContact CE2-CB 4.08Å; F292-R305 HydrophobicContact CZ-CB 3.85Å; R305-T309 WeakPolarHBondContact O-CB 3.44Å; R305-T309 PolarHBondContact O-N 3.48Å; R305-T309 PolarHBondContact O-OG1 3.17Å |
| 306 | G | 85.9 | Confident | 77.5 | Confident | 40 Ų | 40 | 71.2 Ų | 71.2 | 41% | 0.412 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -69.9 | -42.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | S304 T309 N310 | S304-G306 PolarHBondContact O-N 3.37Å; S304-G306 VanDerWaalsContact O-N 3.12Å; S304-G306 PolarHBondContact OG-N 3.29Å; G306-T309 PolarHBondContact O-N 3.05Å; G306-N310 PolarHBondContact O-N 3.34Å; G306-N310 PolarHBondContact O-ND2 3.18Å |
| 307 | H | 86 | Confident | 76.8 | Confident | 117 Ų | 117 | 68.1 Ų | 68.1 | 54% | 0.542 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -66.1 | -39.7 | 172.5 | -69.9 | 101.9 | 0 | 0 | 0 | 111.5 | I302 S304 T309 N310 H311 | I302-H307 HydrophobicContact CG2-CB 3.52Å; S304-H307 PolarHBondContact O-N 3.47Å; S304-H307 PolarHBondContact OG-N 3.22Å; S304-H307 PolarHBondContact OG-ND1 3.4Å; H307-T309 VanDerWaalsContact C-N 3.35Å; H307-T309 PolarHBondContact O-N 3.03Å; H307-N310 PolarHBondContact O-N 3.13Å; H307-H311 WeakPolarHBondContact O-CB 3.43Å; H307-H311 PolarHBondContact O-N 3.33Å |
| 308 | L | 85.9 | Confident | 75.2 | Confident | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -60.5 | -44.8 | 174 | -176.7 | 74.5 | 0 | 0 | 0 | 111.2 | I280 F292 C294 I302 S304 N310 H311 L312 | I280-L308 HydrophobicContact CD1-CD2 3.87Å; I280-L308 HydrophobicContact CG2-CD2 3.73Å; F292-L308 HydrophobicContact CB-CB 4.2Å; F292-L308 HydrophobicContact CB-CD1 4.28Å; F292-L308 HydrophobicContact CB-CD2 4.02Å; F292-L308 HydrophobicContact CB-CG 4.38Å; F292-L308 HydrophobicContact CD1-CD2 4.06Å; F292-L308 HydrophobicContact CG-CD2 4.28Å; C294-L308 HydrophobicContact CB-CD1 4.26Å; I302-L308 HydrophobicContact CD1-CD1 3.82Å; I302-L308 HydrophobicContact CG2-CB 4.14Å; I302-L308 VanDerWaalsContact CG2-N 3.34Å; S304-L308 PolarHBondContact O-N 3.21Å; L308-N310 PolarHBondContact O-N 3.25Å; L308-H311 PolarHBondContact O-N 3.48Å; L308-L312 HydrophobicContact CD1-CD1 4.38Å; L308-L312 HydrophobicContact CD1-CG 4.35Å; L308-L312 HydrophobicContact CD2-CD1 4.23Å; L308-L312 HydrophobicContact CG-CD1 3.91Å; L308-L312 HydrophobicContact CG-CG 4.26Å; L308-L312 WeakPolarHBondContact O-CB 3.46Å; L308-L312 WeakPolarHBondContact O-CG 3.3Å; L308-L312 PolarHBondContact O-N 3.48Å |
| 309 | T | 83.4 | Confident | 74.1 | Confident | 78 Ų | 78 | 75 Ų | 75 | 48% | 0.479 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.2 | -44 | 178.7 | -57.5 | 0 | 0 | 0 | 0 | 111.5 | R305 G306 H307 Q313 | R305-T309 WeakPolarHBondContact O-CB 3.44Å; R305-T309 PolarHBondContact O-N 3.48Å; R305-T309 PolarHBondContact O-OG1 3.17Å; G306-T309 PolarHBondContact O-N 3.05Å; H307-T309 VanDerWaalsContact C-N 3.35Å; H307-T309 PolarHBondContact O-N 3.03Å; T309-Q313 WeakPolarHBondContact O-CB 3.44Å; T309-Q313 PolarHBondContact O-N 3.47Å |
| 310 | N | 81.7 | Confident | 73.1 | Confident | 106 Ų | 106 | 76.2 Ų | 76.2 | 57% | 0.567 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -65.1 | -39.4 | 175 | -71.2 | -28.2 | 0 | 0 | 0 | 112.1 | G306 H307 L308 Q313 D314 | G306-N310 PolarHBondContact O-N 3.34Å; G306-N310 PolarHBondContact O-ND2 3.18Å; H307-N310 PolarHBondContact O-N 3.13Å; L308-N310 PolarHBondContact O-N 3.25Å; N310-Q313 CarbonylContact O-C 3.55Å; N310-Q313 WeakPolarHBondContact O-CB 3.16Å; N310-Q313 PolarHBondContact O-N 3.29Å; N310-D314 PolarHBondContact O-N 3.49Å |
| 311 | H | 83.9 | Confident | 72.2 | Confident | 39 Ų | 39 | 79 Ų | 79 | 18% | 0.181 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -70.4 | -39.4 | 179.8 | 173.9 | 62.7 | 0 | 0 | 0 | 112.9 | C294 C297 I302 H307 L308 Q313 D314 H315 | C294-H311 VanDerWaalsContact CB-CD2 3.49Å; C294-H311 WeakPolarHBondContact CB-CD2 3.26Å; C294-H311 VanDerWaalsContact CB-NE2 3.31Å; C294-H311 WeakPolarHBondContact CB-NE2 3.44Å; C294-H311 PolarHBondContact SG-CD2 3.16Å; C294-H311 PolarHBondContact SG-NE2 2.98Å; C297-H311 VanDerWaalsContact SG-CE1 3.56Å; C297-H311 PolarHBondContact SG-NE2 3.22Å; I302-H311 HydrophobicContact CD1-CB 4.33Å; I302-H311 WeakPolarHBondContact CD1-CD2 3.38Å; H307-H311 WeakPolarHBondContact O-CB 3.43Å; H307-H311 PolarHBondContact O-N 3.33Å; L308-H311 PolarHBondContact O-N 3.48Å; H311-Q313 VanDerWaalsContact C-N 3.28Å; H311-D314 WeakPolarHBondContact O-CB 3.22Å; H311-D314 PolarHBondContact O-N 2.78Å; H311-H315 AromaticContact CE1-CD2 3.66Å; H311-H315 AromaticContact CE1-NE2 3.52Å; H311-H315 AromaticContact NE2-CD2 3.52Å; H311-H315 AromaticContact NE2-NE2 3.36Å; H311-H315 PolarHBondContact NE2-NE2 3.1Å; H311-H315 PolarHBondContact O-CD2 3.09Å; H311-H315 PolarHBondContact O-N 3.38Å |
| 312 | L | 81 | Confident | 70.9 | Confident | 35 Ų | 35 | 81.7 Ų | 81.7 | 18% | 0.183 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -65.2 | -33.9 | 168.7 | -71 | 172.7 | 0 | 0 | 0 | 111.3 | I280 L296 L308 H315 Q316 | I280-L312 HydrophobicContact CD1-CD1 4.29Å; L296-L312 HydrophobicContact CD1-CD2 3.92Å; L296-L312 HydrophobicContact CG-CD2 4.27Å; L308-L312 HydrophobicContact CD1-CD1 4.38Å; L308-L312 HydrophobicContact CD1-CG 4.35Å; L308-L312 HydrophobicContact CD2-CD1 4.23Å; L308-L312 HydrophobicContact CG-CD1 3.91Å; L308-L312 HydrophobicContact CG-CG 4.26Å; L308-L312 WeakPolarHBondContact O-CB 3.46Å; L308-L312 WeakPolarHBondContact O-CG 3.3Å; L308-L312 PolarHBondContact O-N 3.48Å; L312-H315 WeakPolarHBondContact O-CB 3.36Å; L312-H315 PolarHBondContact O-N 2.71Å; L312-Q316 WeakPolarHBondContact O-CG 3.44Å; L312-Q316 PolarHBondContact O-N 2.95Å |
| 313 | Q | 80 | Confident | 69.6 | Low | 90 Ų | 90 | 87.6 Ų | 87.6 | 42% | 0.421 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -68.7 | -35.5 | 172.8 | -170.2 | 62.4 | 94.5 | 0 | 0 | 112.1 | T309 N310 H311 Q316 S317 | T309-Q313 WeakPolarHBondContact O-CB 3.44Å; T309-Q313 PolarHBondContact O-N 3.47Å; N310-Q313 CarbonylContact O-C 3.55Å; N310-Q313 WeakPolarHBondContact O-CB 3.16Å; N310-Q313 PolarHBondContact O-N 3.29Å; H311-Q313 VanDerWaalsContact C-N 3.28Å; Q313-Q316 VanDerWaalsContact NE2-OE1 3.09Å; Q313-Q316 PolarHBondContact O-N 3.33Å; Q313-S317 WeakPolarHBondContact O-CB 3.15Å; Q313-S317 PolarHBondContact O-N 3.38Å; Q313-S317 PolarHBondContact O-OG 3.37Å |
| 314 | D | 75.4 | Confident | 68.5 | Low | 78 Ų | 78 | 90.2 Ų | 90.2 | 42% | 0.417 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -62.8 | -46.7 | 170.1 | -92.1 | -39.1 | 0 | 0 | 0 | 110.9 | N310 H311 Q316 S317 N318 R321 | N310-D314 PolarHBondContact O-N 3.49Å; H311-D314 WeakPolarHBondContact O-CB 3.22Å; H311-D314 PolarHBondContact O-N 2.78Å; D314-Q316 PolarHBondContact O-N 3.27Å; D314-S317 WeakPolarHBondContact CA-OG 3.44Å; D314-S317 CarbonylContact O-C 3.32Å; D314-S317 PolarHBondContact O-N 3.01Å; D314-S317 VanDerWaalsContact O-N 3.07Å; D314-S317 PolarHBondContact O-OG 3.14Å; D314-N318 WeakPolarHBondContact O-CB 3.45Å; D314-N318 VanDerWaalsContact O-CG 3.24Å; D314-N318 PolarHBondContact O-N 3Å; D314-R321 IonicContact OD1-NH2 3.27Å; D314-R321 PolarHBondContact OD1-NH2 2.82Å |
| 315 | H | 77.5 | Confident | 68.2 | Low | 25 Ų | 25 | 92.9 Ų | 92.9 | 12% | 0.116 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -52.1 | -55.2 | 171.2 | -90.4 | -80.7 | 0 | 0 | 0 | 112.2 | L296 C297 H311 L312 S317 N318 F319 | L296-H315 VanDerWaalsContact C-CE1 3.46Å; L296-H315 VanDerWaalsContact CB-CE1 3.47Å; L296-H315 WeakPolarHBondContact CB-CE1 3.26Å; L296-H315 HydrophobicContact CD1-CB 3.84Å; L296-H315 PolarHBondContact O-CE1 2.83Å; C297-H315 PolarHBondContact SG-NE2 2.96Å; H311-H315 AromaticContact CE1-CD2 3.66Å; H311-H315 AromaticContact CE1-NE2 3.52Å; H311-H315 AromaticContact NE2-CD2 3.52Å; H311-H315 AromaticContact NE2-NE2 3.36Å; H311-H315 PolarHBondContact NE2-NE2 3.1Å; H311-H315 PolarHBondContact O-CD2 3.09Å; H311-H315 PolarHBondContact O-N 3.38Å; L312-H315 WeakPolarHBondContact O-CB 3.36Å; L312-H315 PolarHBondContact O-N 2.71Å; H315-S317 PolarHBondContact O-N 2.8Å; H315-S317 VanDerWaalsContact O-N 3.16Å; H315-N318 PolarHBondContact O-N 3.23Å; H315-F319 VanDerWaalsContact O-CD2 3.29Å; H315-F319 WeakPolarHBondContact O-CD2 3.48Å; H315-F319 PolarHBondContact O-N 3.47Å |
| 316 | Q | 62.9 | Low | 68.2 | Low | 115 Ų | 115 | 91 Ų | 91 | 54% | 0.537 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -59.3 | -27 | 177.8 | -73.5 | 179.5 | 4.7 | 0 | 0 | 113.5 | L312 Q313 D314 | L312-Q316 WeakPolarHBondContact O-CG 3.44Å; L312-Q316 PolarHBondContact O-N 2.95Å; Q313-Q316 VanDerWaalsContact NE2-OE1 3.09Å; Q313-Q316 PolarHBondContact O-N 3.33Å; D314-Q316 PolarHBondContact O-N 3.27Å |
| 317 | S | 59.3 | Low | 68.2 | Low | 30 Ų | 30 | 90.7 Ų | 90.7 | 21% | 0.21 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -83.6 | -32.4 | 175.2 | 80.6 | 0 | 0 | 0 | 0 | 112.6 | Q313 D314 H315 K320 R321 | Q313-S317 WeakPolarHBondContact O-CB 3.15Å; Q313-S317 PolarHBondContact O-N 3.38Å; Q313-S317 PolarHBondContact O-OG 3.37Å; D314-S317 WeakPolarHBondContact CA-OG 3.44Å; D314-S317 CarbonylContact O-C 3.32Å; D314-S317 PolarHBondContact O-N 3.01Å; D314-S317 VanDerWaalsContact O-N 3.07Å; D314-S317 PolarHBondContact O-OG 3.14Å; H315-S317 PolarHBondContact O-N 2.8Å; H315-S317 VanDerWaalsContact O-N 3.16Å; S317-K320 CarbonylContact O-C 3.54Å; S317-K320 VanDerWaalsContact O-C 3.3Å; S317-K320 WeakPolarHBondContact O-CA 3.43Å; S317-K320 PolarHBondContact O-N 2.96Å; S317-R321 WeakPolarHBondContact O-CB 3.47Å; S317-R321 WeakPolarHBondContact O-CG 3.26Å; S317-R321 PolarHBondContact O-N 3.42Å; S317-R321 VanDerWaalsContact O-N 3.1Å; S317-R321 VanDerWaalsContact OG-CZ 3.27Å; S317-R321 PolarHBondContact OG-NE 3.47Å; S317-R321 PolarHBondContact OG-NH2 3.16Å |
| 318 | N | 48.4 | Very low | 68.4 | Low | 82 Ų | 82 | 85.1 Ų | 85.1 | 44% | 0.439 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -69.6 | -42.8 | 177.9 | -70.9 | -14.3 | 0 | 0 | 0 | 110.6 | D314 H315 K320 R321 | D314-N318 WeakPolarHBondContact O-CB 3.45Å; D314-N318 VanDerWaalsContact O-CG 3.24Å; D314-N318 PolarHBondContact O-N 3Å; H315-N318 PolarHBondContact O-N 3.23Å; N318-K320 PolarHBondContact O-N 3.18Å; N318-R321 PolarHBondContact O-N 3.07Å; N318-R321 WeakPolarHBondContact OD1-CD 3.47Å; N318-R321 PolarHBondContact OD1-NE 3.28Å |
| 319 | F | 43.9 | Very low | 68.4 | Low | 168 Ų | 168 | 87.9 Ų | 87.9 | 74% | 0.737 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | 3.7 | 166.9 | -74.2 | -65.4 | 0 | 0 | 0 | 114.5 | H315 | H315-F319 VanDerWaalsContact O-CD2 3.29Å; H315-F319 WeakPolarHBondContact O-CD2 3.48Å; H315-F319 PolarHBondContact O-N 3.47Å |
| 320 | K | 46.4 | Very low | 68.3 | Low | 158 Ų | 158 | 89.2 Ų | 89.2 | 69% | 0.687 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -135.1 | 16.8 | 172.9 | -64.1 | -168.8 | 176 | -173.1 | 0 | 113.5 | S317 N318 | S317-K320 CarbonylContact O-C 3.54Å; S317-K320 VanDerWaalsContact O-C 3.3Å; S317-K320 WeakPolarHBondContact O-CA 3.43Å; S317-K320 PolarHBondContact O-N 2.96Å; N318-K320 PolarHBondContact O-N 3.18Å |
| 321 | R | 40.4 | Very low | 68.7 | Low | 127 Ų | 127 | 86.3 Ų | 86.3 | 48% | 0.479 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -102.8 | -10.2 | -175.3 | -93.8 | 175 | -150.9 | -165.6 | 11.9 | 115.3 | D314 S317 N318 | D314-R321 IonicContact OD1-NH2 3.27Å; D314-R321 PolarHBondContact OD1-NH2 2.82Å; S317-R321 WeakPolarHBondContact O-CB 3.47Å; S317-R321 WeakPolarHBondContact O-CG 3.26Å; S317-R321 PolarHBondContact O-N 3.42Å; S317-R321 VanDerWaalsContact O-N 3.1Å; S317-R321 VanDerWaalsContact OG-CZ 3.27Å; S317-R321 PolarHBondContact OG-NE 3.47Å; S317-R321 PolarHBondContact OG-NH2 3.16Å; N318-R321 PolarHBondContact O-N 3.07Å; N318-R321 WeakPolarHBondContact OD1-CD 3.47Å; N318-R321 PolarHBondContact OD1-NE 3.28Å |
| 322 | E | 45.9 | Very low | 68.6 | Low | 174 Ų | 174 | 90.5 Ų | 90.5 | 81% | 0.813 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -72.8 | -44.2 | 177.5 | -62.4 | -174.3 | 163 | 0 | 0 | 110.9 | Y324 | E322-Y324 PolarHBondContact O-N 3.47Š|
| 323 | D | 51.3 | Low | 68.8 | Low | 139 Ų | 139 | 90.9 Ų | 90.9 | 74% | 0.743 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -19.4 | 179.4 | -70.6 | -39.1 | 0 | 0 | 0 | 115.9 | ||
| 324 | Y | 53.2 | Low | 69.3 | Low | 148 Ų | 148 | 92.3 Ų | 92.3 | 58% | 0.58 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127 | 37.6 | -165.6 | -64.2 | -63 | 0 | 0 | 0 | 114.9 | E322 H326 | E322-Y324 PolarHBondContact O-N 3.47Å; Y324-H326 PolarHBondContact O-N 3.36Å |
| 325 | K | 76.4 | Confident | 70 | Confident | 99 Ų | 99 | 90.2 Ų | 90.2 | 43% | 0.43 | 43% | 0.43 | S | S | . | . | trans | -65.1 | 127.5 | 165.6 | -55.2 | -167.1 | -172.6 | -176 | 0 | 110.6 | V327 E334 | K325-V327 HydrophobicContact CB-CG2 4.35Å; K325-V327 PolarHBondContact O-N 3.45Å; K325-E334 HydrophobicContact CD-CB 4.49Å; K325-E334 HydrophobicContact CD-CG 4.21Å; K325-E334 WeakPolarHBondContact CD-OE1 3.36Å; K325-E334 VanDerWaalsContact CD-OE2 3.31Å; K325-E334 WeakPolarHBondContact CD-OE2 3.31Å; K325-E334 WeakPolarHBondContact CE-OE1 3.14Å; K325-E334 IonicContact NZ-OE1 2.64Å; K325-E334 PolarHBondContact NZ-OE1 2.84Å; K325-E334 IonicContact NZ-OE2 2.72Å; K325-E334 PolarHBondContact NZ-OE2 2.86Å | ||
| 326 | H | 84.3 | Confident | 70.6 | Confident | 64 Ų | 64 | 94.6 Ų | 94.6 | 30% | 0.296 | 46% | 0.463 | S | S | . | . | trans | -84.1 | 78.5 | 179.9 | -63.2 | -76.9 | 0 | 0 | 0 | 111.5 | Y324 L335 S337 N338 L341 | Y324-H326 PolarHBondContact O-N 3.36Å; H326-L335 HydrophobicContact CB-CB 4.49Å; H326-L335 WeakPolarHBondContact CB-O 3.42Å; H326-L335 PolarHBondContact N-O 3.2Å; H326-L335 VanDerWaalsContact N-O 3.16Å; H326-L335 WeakPolarHBondContact O-CB 3.28Å; H326-L335 PolarHBondContact O-N 3.42Å; H326-L335 VanDerWaalsContact O-N 3.15Å; H326-S337 VanDerWaalsContact CD2-CA 3.48Å; H326-S337 WeakPolarHBondContact CD2-CA 3.4Å; H326-N338 PolarHBondContact CD2-N 3.35Å; H326-N338 PolarHBondContact NE2-N 3.15Å; H326-L341 HydrophobicContact CB-CB 4.02Å; H326-L341 HydrophobicContact CB-CD2 4Å | ||
| 327 | V | 85.8 | Confident | 71.8 | Confident | 32 Ų | 32 | 90.7 Ų | 90.7 | 19% | 0.194 | 45% | 0.448 | C | S | . | . | trans | -70.5 | 135.6 | -178.7 | -175.8 | 0 | 0 | 0 | 0 | 111.7 | K325 F332 E334 | K325-V327 HydrophobicContact CB-CG2 4.35Å; K325-V327 PolarHBondContact O-N 3.45Å; V327-F332 HydrophobicContact CG1-CB 4.28Å; V327-F332 HydrophobicContact CG1-CD1 4.13Å; V327-E334 HydrophobicContact CG2-CG 4.48Å | ||
| 328 | C | 88.8 | Confident | 73.2 | Confident | 0 Ų | 0 | 93 Ų | 93 | 0% | 0 | 46% | 0.459 | C | S | . | . | trans | -83.5 | 113.6 | 172 | 176.8 | 0 | 0 | 0 | 0 | 112.7 | F330 C331 F332 S333 L341 H344 H348 | C328-F330 PolarHBondContact O-N 3.23Å; C328-C331 PolarHBondContact O-N 3.23Å; C328-C331 VanDerWaalsContact O-N 3.13Å; C328-F332 VanDerWaalsContact O-CA 3.27Å; C328-F332 WeakPolarHBondContact O-CA 3.43Å; C328-F332 PolarHBondContact O-N 2.69Å; C328-S333 PolarHBondContact N-O 3.07Å; C328-L341 HydrophobicContact CB-CD1 3.73Å; C328-H344 VanDerWaalsContact CB-CD2 3.47Å; C328-H344 WeakPolarHBondContact CB-CD2 3.44Å; C328-H344 WeakPolarHBondContact CB-NE2 3.48Å; C328-H344 PolarHBondContact SG-CD2 3.23Å; C328-H344 PolarHBondContact SG-NE2 3.36Å; C328-H348 VanDerWaalsContact SG-CD2 3.5Å; C328-H348 PolarHBondContact SG-NE2 2.94Å | ||
| 329 | C | 86.6 | Confident | 75.2 | Confident | 59 Ų | 59 | 92.9 Ų | 92.9 | 40% | 0.399 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -3 | 179.8 | 60.7 | 0 | 0 | 0 | 0 | 117.4 | ||
| 330 | F | 82.1 | Confident | 77.5 | Confident | 106 Ų | 106 | 85.7 Ų | 85.7 | 47% | 0.465 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | -13.5 | 176.9 | -64.5 | -69.2 | 0 | 0 | 0 | 115 | C328 L345 H348 | C328-F330 PolarHBondContact O-N 3.23Å; F330-L345 HydrophobicContact CD2-CD2 3.74Å; F330-L345 HydrophobicContact CE2-CD2 3.92Å; F330-H348 HydrophobicContact CB-CB 4.24Å; F330-H348 WeakPolarHBondContact CB-ND1 3.44Å; F330-H348 HydrophobicContact CD2-CB 3.69Å; F330-H348 AromaticContact CD2-CG 3.79Å; F330-H348 HydrophobicContact CE2-CB 4.26Å; F330-H348 HydrophobicContact CG-CB 4.05Å; F330-H348 AromaticContact CG-CG 3.88Å |
| 331 | C | 88.2 | Confident | 79.6 | Confident | 45 Ų | 45 | 79.3 Ų | 79.3 | 30% | 0.304 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -154.2 | 10.6 | -179.2 | 65.8 | 0 | 0 | 0 | 0 | 113.9 | C328 S333 H344 H348 | C328-C331 PolarHBondContact O-N 3.23Å; C328-C331 VanDerWaalsContact O-N 3.13Å; C331-S333 PolarHBondContact O-N 3.36Å; C331-S333 PolarHBondContact SG-OG 2.96Å; C331-H344 PolarHBondContact SG-CE1 3.1Å; C331-H344 PolarHBondContact SG-NE2 2.82Å; C331-H348 WeakPolarHBondContact CB-CE1 3.36Å; C331-H348 PolarHBondContact SG-CE1 3.36Å; C331-H348 PolarHBondContact SG-NE2 3.45Å |
| 332 | F | 83.3 | Confident | 82 | Confident | 126 Ų | 126 | 79 Ų | 79 | 55% | 0.553 | 41% | 0.412 | S | S | * | . | trans | 51.1 | 17 | 176.9 | -53.7 | -77.5 | 0 | 0 | 0 | 116.5 | V327 C328 E334 | V327-F332 HydrophobicContact CG1-CB 4.28Å; V327-F332 HydrophobicContact CG1-CD1 4.13Å; C328-F332 VanDerWaalsContact O-CA 3.27Å; C328-F332 WeakPolarHBondContact O-CA 3.43Å; C328-F332 PolarHBondContact O-N 2.69Å; F332-E334 PolarHBondContact O-N 2.98Å | ||
| 333 | S | 85.7 | Confident | 84.2 | Confident | 44 Ų | 44 | 76.3 Ų | 76.3 | 31% | 0.308 | 39% | 0.394 | S | S | . | . | trans | -64.1 | 119.5 | 173.3 | -49.3 | 0 | 0 | 0 | 0 | 110.3 | C328 C331 H344 | C328-S333 PolarHBondContact N-O 3.07Å; C331-S333 PolarHBondContact O-N 3.36Å; C331-S333 PolarHBondContact SG-OG 2.96Å; S333-H344 PolarHBondContact OG-CE1 3.18Å; S333-H344 VanDerWaalsContact OG-CE1 3.31Å | ||
| 334 | E | 89.6 | Confident | 86.1 | Confident | 119 Ų | 119 | 71.8 Ų | 71.8 | 56% | 0.556 | 37% | 0.369 | S | S | * | . | trans | -67.7 | 132.1 | 169.4 | -51.9 | -168.9 | 147.4 | 0 | 0 | 109.7 | K325 V327 F332 | K325-E334 HydrophobicContact CD-CB 4.49Å; K325-E334 HydrophobicContact CD-CG 4.21Å; K325-E334 WeakPolarHBondContact CD-OE1 3.36Å; K325-E334 VanDerWaalsContact CD-OE2 3.31Å; K325-E334 WeakPolarHBondContact CD-OE2 3.31Å; K325-E334 WeakPolarHBondContact CE-OE1 3.14Å; K325-E334 IonicContact NZ-OE1 2.64Å; K325-E334 PolarHBondContact NZ-OE1 2.84Å; K325-E334 IonicContact NZ-OE2 2.72Å; K325-E334 PolarHBondContact NZ-OE2 2.86Å; V327-E334 HydrophobicContact CG2-CG 4.48Å; F332-E334 PolarHBondContact O-N 2.98Å | ||
| 335 | L | 89.7 | Confident | 88 | Confident | 35 Ų | 35 | 67.1 Ų | 67.1 | 18% | 0.183 | 35% | 0.354 | C | S | . | . | trans | -128 | 138.1 | 179.2 | -62.1 | 164.4 | 0 | 0 | 0 | 110 | H326 S337 L341 H344 | H326-L335 HydrophobicContact CB-CB 4.49Å; H326-L335 WeakPolarHBondContact CB-O 3.42Å; H326-L335 PolarHBondContact N-O 3.2Å; H326-L335 VanDerWaalsContact N-O 3.16Å; H326-L335 WeakPolarHBondContact O-CB 3.28Å; H326-L335 PolarHBondContact O-N 3.42Å; H326-L335 VanDerWaalsContact O-N 3.15Å; L335-S337 PolarHBondContact O-N 2.9Å; L335-L341 HydrophobicContact CD1-CB 4.11Å; L335-L341 HydrophobicContact CD1-CD1 4.09Å; L335-H344 HydrophobicContact CD1-CB 3.54Å | ||
| 336 | S | 89.3 | Confident | 88.7 | Confident | 116 Ų | 116 | 64.1 Ų | 64.1 | 81% | 0.811 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -71.3 | -0.1 | -172.8 | 59.3 | 0 | 0 | 0 | 0 | 115.4 | ||
| 337 | S | 88.7 | Confident | 88.9 | Confident | 33 Ų | 33 | 64.2 Ų | 64.2 | 23% | 0.231 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -166.6 | 142 | -172.9 | 40.4 | 0 | 0 | 0 | 0 | 111.8 | H326 L335 S339 S340 L341 | H326-S337 VanDerWaalsContact CD2-CA 3.48Å; H326-S337 WeakPolarHBondContact CD2-CA 3.4Å; L335-S337 PolarHBondContact O-N 2.9Å; S337-S339 VanDerWaalsContact C-N 3.26Å; S337-S339 PolarHBondContact O-N 2.85Å; S337-S340 WeakPolarHBondContact O-CA 3.48Å; S337-S340 WeakPolarHBondContact O-CB 3.49Å; S337-S340 PolarHBondContact O-N 3.08Å; S337-S340 VanDerWaalsContact OG-CB 3.27Å; S337-S340 WeakPolarHBondContact OG-CB 3.26Å; S337-S340 PolarHBondContact OG-OG 2.96Å; S337-L341 PolarHBondContact O-N 2.65Å |
| 338 | N | 89.5 | Confident | 89.1 | Confident | 80 Ų | 80 | 65.9 Ų | 65.9 | 43% | 0.428 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -58 | -38.8 | 176.9 | -168.6 | 27 | 0 | 0 | 0 | 112.3 | H326 S340 L341 E342 | H326-N338 PolarHBondContact CD2-N 3.35Å; H326-N338 PolarHBondContact NE2-N 3.15Å; N338-S340 PolarHBondContact O-N 3.2Å; N338-L341 CarbonylContact O-C 3.23Å; N338-L341 WeakPolarHBondContact O-CA 3.48Å; N338-L341 WeakPolarHBondContact O-CB 3.27Å; N338-L341 PolarHBondContact O-N 3.4Å; N338-E342 PolarHBondContact O-N 3.41Å |
| 339 | S | 89.9 | Confident | 89.1 | Confident | 78 Ų | 78 | 68.2 Ų | 68.2 | 55% | 0.545 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -64.2 | -25.5 | 175 | 57 | 0 | 0 | 0 | 0 | 113.3 | S337 R343 | S337-S339 VanDerWaalsContact C-N 3.26Å; S337-S339 PolarHBondContact O-N 2.85Å; S339-R343 WeakPolarHBondContact O-CB 3.48Å; S339-R343 PolarHBondContact O-N 3.3Å |
| 340 | S | 92.3 | Very high | 89 | Confident | 17 Ų | 17 | 71 Ų | 71 | 12% | 0.119 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -76.9 | -35.5 | 168.7 | -69.9 | 0 | 0 | 0 | 0 | 112.3 | S337 N338 R343 H344 | S337-S340 WeakPolarHBondContact O-CA 3.48Å; S337-S340 WeakPolarHBondContact O-CB 3.49Å; S337-S340 PolarHBondContact O-N 3.08Å; S337-S340 VanDerWaalsContact OG-CB 3.27Å; S337-S340 WeakPolarHBondContact OG-CB 3.26Å; S337-S340 PolarHBondContact OG-OG 2.96Å; N338-S340 PolarHBondContact O-N 3.2Å; S340-R343 PolarHBondContact OG-NH2 2.88Å; S340-H344 WeakPolarHBondContact O-CB 3.42Å; S340-H344 PolarHBondContact O-N 3.2Å |
| 341 | L | 91.6 | Very high | 89.4 | Confident | 24 Ų | 24 | 71.2 Ų | 71.2 | 13% | 0.126 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -64.9 | -50.4 | 172.2 | 175.6 | 59.5 | 0 | 0 | 0 | 112.1 | H326 C328 L335 S337 N338 R343 H344 L345 | H326-L341 HydrophobicContact CB-CB 4.02Å; H326-L341 HydrophobicContact CB-CD2 4Å; C328-L341 HydrophobicContact CB-CD1 3.73Å; L335-L341 HydrophobicContact CD1-CB 4.11Å; L335-L341 HydrophobicContact CD1-CD1 4.09Å; S337-L341 PolarHBondContact O-N 2.65Å; N338-L341 CarbonylContact O-C 3.23Å; N338-L341 WeakPolarHBondContact O-CA 3.48Å; N338-L341 WeakPolarHBondContact O-CB 3.27Å; N338-L341 PolarHBondContact O-N 3.4Å; L341-R343 VanDerWaalsContact C-N 3.34Å; L341-R343 PolarHBondContact O-N 2.81Å; L341-H344 CarbonylContact O-C 3.48Å; L341-H344 WeakPolarHBondContact O-CA 3.16Å; L341-H344 WeakPolarHBondContact O-CB 3.24Å; L341-H344 PolarHBondContact O-N 3.19Å; L341-L345 HydrophobicContact CD1-CD1 4.14Å; L341-L345 HydrophobicContact CD1-CD2 4.33Å; L341-L345 HydrophobicContact CD1-CG 3.96Å; L341-L345 HydrophobicContact CG-CD1 4.09Å; L341-L345 HydrophobicContact CG-CG 4.38Å; L341-L345 VanDerWaalsContact O-CG 3.32Å; L341-L345 WeakPolarHBondContact O-CG 3.25Å; L341-L345 PolarHBondContact O-N 3.44Å |
| 342 | E | 90.5 | Very high | 89.6 | Confident | 121 Ų | 121 | 75.1 Ų | 75.1 | 57% | 0.565 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -54.6 | -49.5 | 174.9 | -70 | -178.9 | 157.5 | 0 | 0 | 111.5 | N338 H344 L345 L346 | N338-E342 PolarHBondContact O-N 3.41Å; E342-H344 VanDerWaalsContact C-N 3.25Å; E342-H344 PolarHBondContact O-N 2.92Å; E342-L345 PolarHBondContact O-N 3.07Å; E342-L346 PolarHBondContact O-N 3.35Å |
| 343 | R | 91.5 | Very high | 89.9 | Confident | 118 Ų | 118 | 72.2 Ų | 72.2 | 45% | 0.445 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -60.2 | -31.9 | 175.1 | 175.1 | -179.8 | 57.7 | 73.9 | -3 | 113.1 | S339 S340 L341 L346 T365 | S339-R343 WeakPolarHBondContact O-CB 3.48Å; S339-R343 PolarHBondContact O-N 3.3Å; S340-R343 PolarHBondContact OG-NH2 2.88Å; L341-R343 VanDerWaalsContact C-N 3.34Å; L341-R343 PolarHBondContact O-N 2.81Å; R343-L346 WeakPolarHBondContact O-CB 3.29Å; R343-T365 HydrophobicContact CG-CG2 3.73Å |
| 344 | H | 91.5 | Very high | 90.3 | Very high | 44 Ų | 44 | 73.7 Ų | 73.7 | 20% | 0.204 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -79.7 | -36.6 | 178.1 | 175.2 | 98.5 | 0 | 0 | 0 | 112 | C328 C331 S333 L335 S340 L341 E342 L346 T347 H348 | C328-H344 VanDerWaalsContact CB-CD2 3.47Å; C328-H344 WeakPolarHBondContact CB-CD2 3.44Å; C328-H344 WeakPolarHBondContact CB-NE2 3.48Å; C328-H344 PolarHBondContact SG-CD2 3.23Å; C328-H344 PolarHBondContact SG-NE2 3.36Å; C331-H344 PolarHBondContact SG-CE1 3.1Å; C331-H344 PolarHBondContact SG-NE2 2.82Å; S333-H344 PolarHBondContact OG-CE1 3.18Å; S333-H344 VanDerWaalsContact OG-CE1 3.31Å; L335-H344 HydrophobicContact CD1-CB 3.54Å; S340-H344 WeakPolarHBondContact O-CB 3.42Å; S340-H344 PolarHBondContact O-N 3.2Å; L341-H344 CarbonylContact O-C 3.48Å; L341-H344 WeakPolarHBondContact O-CA 3.16Å; L341-H344 WeakPolarHBondContact O-CB 3.24Å; L341-H344 PolarHBondContact O-N 3.19Å; E342-H344 VanDerWaalsContact C-N 3.25Å; E342-H344 PolarHBondContact O-N 2.92Å; H344-L346 PolarHBondContact O-N 3.38Å; H344-L346 VanDerWaalsContact O-N 3.14Å; H344-T347 WeakPolarHBondContact O-CB 3.49Å; H344-T347 WeakPolarHBondContact O-CG2 3.27Å; H344-T347 PolarHBondContact O-N 3.2Å; H344-T347 PolarHBondContact O-OG1 3.34Å; H344-H348 AromaticContact CD2-CD2 3.88Å; H344-H348 AromaticContact CD2-NE2 3.3Å; H344-H348 PolarHBondContact CD2-NE2 3.03Å; H344-H348 VanDerWaalsContact CD2-NE2 3.3Å; H344-H348 AromaticContact CE1-NE2 3.54Å; H344-H348 AromaticContact NE2-CD2 3.64Å; H344-H348 AromaticContact NE2-NE2 2.04Å; H344-H348 PolarHBondContact NE2-NE2 3.31Å |
| 345 | L | 91.9 | Very high | 90.5 | Very high | 50 Ų | 50 | 72.9 Ų | 72.9 | 26% | 0.262 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61.8 | -19.6 | 172.7 | -68.2 | 170.3 | 0 | 0 | 0 | 112.5 | F330 L341 E342 T347 H348 T349 | F330-L345 HydrophobicContact CD2-CD2 3.74Å; F330-L345 HydrophobicContact CE2-CD2 3.92Å; L341-L345 HydrophobicContact CD1-CD1 4.14Å; L341-L345 HydrophobicContact CD1-CD2 4.33Å; L341-L345 HydrophobicContact CD1-CG 3.96Å; L341-L345 HydrophobicContact CG-CD1 4.09Å; L341-L345 HydrophobicContact CG-CG 4.38Å; L341-L345 VanDerWaalsContact O-CG 3.32Å; L341-L345 WeakPolarHBondContact O-CG 3.25Å; L341-L345 PolarHBondContact O-N 3.44Å; E342-L345 PolarHBondContact O-N 3.07Å; L345-T347 PolarHBondContact O-N 2.95Å; L345-H348 PolarHBondContact O-N 3.32Å; L345-T349 WeakPolarHBondContact O-CB 3.48Å; L345-T349 WeakPolarHBondContact O-CG2 3.47Å; L345-T349 PolarHBondContact O-N 3.27Å; L345-T349 PolarHBondContact O-OG1 3.2Å |
| 346 | L | 92.9 | Very high | 90.7 | Very high | 35 Ų | 35 | 71.7 Ų | 71.7 | 18% | 0.183 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -63.6 | -21.9 | 167.9 | -60.5 | -179.6 | 0 | 0 | 0 | 113.8 | E342 R343 H344 T349 N350 H351 T364 | E342-L346 PolarHBondContact O-N 3.35Å; R343-L346 WeakPolarHBondContact O-CB 3.29Å; H344-L346 PolarHBondContact O-N 3.38Å; H344-L346 VanDerWaalsContact O-N 3.14Å; L346-T349 VanDerWaalsContact CA-OG1 3.32Å; L346-T349 WeakPolarHBondContact CA-OG1 3.33Å; L346-N350 CarbonylContact O-C 3.07Å; L346-N350 VanDerWaalsContact O-CA 3.24Å; L346-N350 WeakPolarHBondContact O-CA 3.42Å; L346-N350 PolarHBondContact O-N 3.4Å; L346-H351 HydrophobicContact CD2-CB 3.98Å; L346-H351 PolarHBondContact O-N 2.79Å; L346-H351 VanDerWaalsContact O-N 3.15Å; L346-T364 HydrophobicContact CB-CG2 3.95Å; L346-T364 WeakPolarHBondContact CD1-O 3.34Å |
| 347 | T | 88.2 | Confident | 90.8 | Very high | 67 Ų | 67 | 73.6 Ų | 73.6 | 41% | 0.411 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -73.9 | -52.7 | 172.8 | 67.7 | 0 | 0 | 0 | 0 | 110.9 | H344 L345 T349 N350 | H344-T347 WeakPolarHBondContact O-CB 3.49Å; H344-T347 WeakPolarHBondContact O-CG2 3.27Å; H344-T347 PolarHBondContact O-N 3.2Å; H344-T347 PolarHBondContact O-OG1 3.34Å; L345-T347 PolarHBondContact O-N 2.95Å; T347-T349 VanDerWaalsContact C-N 3.26Å; T347-T349 PolarHBondContact O-N 3.24Å; T347-N350 PolarHBondContact O-N 3.38Å |
| 348 | H | 89.2 | Confident | 90.9 | Very high | 67 Ų | 67 | 77.4 Ų | 77.4 | 31% | 0.31 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63.2 | -27.2 | 177.1 | -65.5 | -65.2 | 0 | 0 | 0 | 114.4 | C328 F330 C331 H344 L345 R1440 | C328-H348 VanDerWaalsContact SG-CD2 3.5Å; C328-H348 PolarHBondContact SG-NE2 2.94Å; F330-H348 HydrophobicContact CB-CB 4.24Å; F330-H348 WeakPolarHBondContact CB-ND1 3.44Å; F330-H348 HydrophobicContact CD2-CB 3.69Å; F330-H348 AromaticContact CD2-CG 3.79Å; F330-H348 HydrophobicContact CE2-CB 4.26Å; F330-H348 HydrophobicContact CG-CB 4.05Å; F330-H348 AromaticContact CG-CG 3.88Å; C331-H348 WeakPolarHBondContact CB-CE1 3.36Å; C331-H348 PolarHBondContact SG-CE1 3.36Å; C331-H348 PolarHBondContact SG-NE2 3.45Å; H344-H348 AromaticContact CD2-CD2 3.88Å; H344-H348 AromaticContact CD2-NE2 3.3Å; H344-H348 PolarHBondContact CD2-NE2 3.03Å; H344-H348 VanDerWaalsContact CD2-NE2 3.3Å; H344-H348 AromaticContact CE1-NE2 3.54Å; H344-H348 AromaticContact NE2-CD2 3.64Å; H344-H348 AromaticContact NE2-NE2 2.04Å; H344-H348 PolarHBondContact NE2-NE2 3.31Å; L345-H348 PolarHBondContact O-N 3.32Å; H348-R1440 PolarHBondContact O-NH2 3.08Å |
| 349 | T | 88.3 | Confident | 91.1 | Very high | 49 Ų | 49 | 75.4 Ų | 75.4 | 30% | 0.301 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -13.5 | 172.3 | 56.9 | 0 | 0 | 0 | 0 | 113.6 | L345 L346 T347 H351 | L345-T349 WeakPolarHBondContact O-CB 3.48Å; L345-T349 WeakPolarHBondContact O-CG2 3.47Å; L345-T349 PolarHBondContact O-N 3.27Å; L345-T349 PolarHBondContact O-OG1 3.2Å; L346-T349 VanDerWaalsContact CA-OG1 3.32Å; L346-T349 WeakPolarHBondContact CA-OG1 3.33Å; T347-T349 VanDerWaalsContact C-N 3.26Å; T347-T349 PolarHBondContact O-N 3.24Å; T349-H351 PolarHBondContact O-N 3.27Å; T349-H351 VanDerWaalsContact O-N 3.13Å; T349-H351 WeakPolarHBondContact OG1-CB 3.4Å; T349-H351 PolarHBondContact OG1-N 3.11Å |
| 350 | N | 85.3 | Confident | 91.1 | Very high | 117 Ų | 117 | 79.9 Ų | 79.9 | 63% | 0.626 | 41% | 0.405 | S | S | * | . | trans | 49 | 22.8 | -164.7 | -89.8 | -62 | 0 | 0 | 0 | 114.1 | L346 T347 R352 | L346-N350 CarbonylContact O-C 3.07Å; L346-N350 VanDerWaalsContact O-CA 3.24Å; L346-N350 WeakPolarHBondContact O-CA 3.42Å; L346-N350 PolarHBondContact O-N 3.4Å; T347-N350 PolarHBondContact O-N 3.38Å; N350-R352 PolarHBondContact O-N 3.29Å | ||
| 351 | H | 89.7 | Confident | 91.2 | Very high | 111 Ų | 111 | 85 Ų | 85 | 51% | 0.514 | 43% | 0.426 | S | S | . | . | trans | -78.9 | 117.6 | -176.6 | -171.1 | -100 | 0 | 0 | 0 | 110.4 | L346 T349 P353 | L346-H351 HydrophobicContact CD2-CB 3.98Å; L346-H351 PolarHBondContact O-N 2.79Å; L346-H351 VanDerWaalsContact O-N 3.15Å; T349-H351 PolarHBondContact O-N 3.27Å; T349-H351 VanDerWaalsContact O-N 3.13Å; T349-H351 WeakPolarHBondContact OG1-CB 3.4Å; T349-H351 PolarHBondContact OG1-N 3.11Å; H351-P353 VanDerWaalsContact O-CD 3.31Å; H351-P353 WeakPolarHBondContact O-CD 3.38Å | ||
| 352 | R | 92.4 | Very high | 91.2 | Very high | 126 Ų | 126 | 84.9 Ų | 84.9 | 48% | 0.475 | 43% | 0.428 | S | S | . | . | trans | -118.8 | 82.9 | -173.2 | -72 | 163.7 | 173.7 | -118.1 | 9.4 | 109.6 | N350 F354 A362 F363 T364 | N350-R352 PolarHBondContact O-N 3.29Å; R352-F354 VanDerWaalsContact C-N 3.28Å; R352-F354 PolarHBondContact O-N 3.16Å; R352-A362 HydrophobicContact CB-CB 3.62Å; R352-A362 WeakPolarHBondContact CD-O 3.21Å; R352-A362 PolarHBondContact NH1-O 3Å; R352-F363 CarbonylContact C-O 3.55Å; R352-F363 VanDerWaalsContact C-O 3.23Å; R352-F363 VanDerWaalsContact CA-O 3.28Å; R352-F363 WeakPolarHBondContact CA-O 3.22Å; R352-T364 HydrophobicContact CG-CG2 3.96Å | ||
| 353 | P | 89.4 | Confident | 91.5 | Very high | 65 Ų | 65 | 81 Ų | 81 | 42% | 0.422 | 41% | 0.409 | S | S | . | . | trans | -77 | -7.6 | -171.9 | 28.7 | -33.1 | 0 | 0 | 0 | 114.7 | H351 | H351-P353 VanDerWaalsContact O-CD 3.31Å; H351-P353 WeakPolarHBondContact O-CD 3.38Å | ||
| 354 | F | 94.8 | Very high | 91.6 | Very high | 76 Ų | 76 | 76.8 Ų | 76.8 | 33% | 0.333 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 87.3 | -177.2 | -59.6 | -79.4 | 0 | 0 | 0 | 110.5 | R352 F363 N366 L369 | R352-F354 VanDerWaalsContact C-N 3.28Å; R352-F354 PolarHBondContact O-N 3.16Å; F354-F363 HydrophobicContact CB-CB 4.33Å; F354-F363 PolarHBondContact N-O 3.11Å; F354-F363 VanDerWaalsContact N-O 3.07Å; F354-F363 PolarHBondContact O-N 3.25Å; F354-N366 HydrophobicContact CD1-CB 3.76Å; F354-N366 VanDerWaalsContact CD2-N 3.33Å; F354-N366 HydrophobicContact CE1-CB 3.69Å; F354-N366 HydrophobicContact CG-CB 4.32Å; F354-N366 HydrophobicContact CZ-CB 4.17Å; F354-L369 HydrophobicContact CB-CB 4.06Å; F354-L369 HydrophobicContact CB-CD2 3.9Å |
| 355 | N | 94 | Very high | 91.6 | Very high | 101 Ų | 101 | 76.1 Ų | 76.1 | 54% | 0.54 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 146.8 | 175.7 | -66.2 | -1.3 | 0 | 0 | 0 | 111.2 | A362 L369 | N355-A362 VanDerWaalsContact OD1-CB 3.22Å; N355-A362 WeakPolarHBondContact OD1-CB 3.5Å; N355-L369 VanDerWaalsContact O-CD2 3.26Å; N355-L369 WeakPolarHBondContact O-CD2 3.12Å |
| 356 | C | 93.5 | Very high | 91.7 | Very high | 11 Ų | 11 | 77.1 Ų | 77.1 | 7% | 0.074 | 40% | 0.401 | C | S | . | . | trans | -82.4 | 140.9 | 162.2 | -168.9 | 0 | 0 | 0 | 0 | 110.1 | L358 C359 K361 L369 H372 | C356-L358 VanDerWaalsContact C-N 3.28Å; C356-L358 PolarHBondContact SG-N 3.01Å; C356-L358 VanDerWaalsContact SG-N 3.45Å; C356-C359 WeakPolarHBondContact CB-O 3.47Å; C356-C359 VanDerWaalsContact O-O 3.06Å; C356-K361 PolarHBondContact N-O 2.91Å; C356-L369 HydrophobicContact CB-CD1 3.67Å; C356-H372 VanDerWaalsContact CB-NE2 3.3Å; C356-H372 WeakPolarHBondContact CB-NE2 3.42Å; C356-H372 PolarHBondContact SG-NE2 2.78Å | ||
| 357 | N | 91 | Very high | 91.8 | Very high | 155 Ų | 155 | 77.5 Ų | 77.5 | 83% | 0.829 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -88.4 | 0.7 | 176.3 | -62.9 | 2 | 0 | 0 | 0 | 112.3 | ||
| 358 | L | 91.8 | Very high | 92.1 | Very high | 113 Ų | 113 | 76.5 Ų | 76.5 | 59% | 0.592 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -117.9 | -6.6 | -174.9 | -56.1 | 175.3 | 0 | 0 | 0 | 113 | C356 H377 | C356-L358 VanDerWaalsContact C-N 3.28Å; C356-L358 PolarHBondContact SG-N 3.01Å; C356-L358 VanDerWaalsContact SG-N 3.45Å; L358-H377 VanDerWaalsContact C-CE1 3.48Å; L358-H377 HydrophobicContact CB-CB 4.38Å; L358-H377 HydrophobicContact CD1-CB 3.59Å; L358-H377 PolarHBondContact O-CE1 3.03Å |
| 359 | C | 93.2 | Very high | 92.3 | Very high | 38 Ų | 38 | 74.2 Ų | 74.2 | 26% | 0.257 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -167.3 | 165.7 | 159.8 | 70.3 | 0 | 0 | 0 | 0 | 109.7 | C356 K361 H372 H377 | C356-C359 WeakPolarHBondContact CB-O 3.47Å; C356-C359 VanDerWaalsContact O-O 3.06Å; C359-K361 PolarHBondContact O-N 3.34Å; C359-H372 VanDerWaalsContact SG-CE1 3.55Å; C359-H377 PolarHBondContact SG-NE2 3.2Å; C359-H377 VanDerWaalsContact SG-NE2 3.43Å |
| 360 | D | 89.9 | Confident | 92.6 | Very high | 172 Ų | 172 | 73 Ų | 73 | 92% | 0.92 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -67.6 | 16.7 | -173.2 | -48.5 | -72.2 | 0 | 0 | 0 | 116.6 | A362 | D360-A362 PolarHBondContact O-N 3.37Š|
| 361 | K | 93.8 | Very high | 93.1 | Very high | 126 Ų | 126 | 73.5 Ų | 73.5 | 55% | 0.548 | 38% | 0.383 | S | S | . | . | trans | -81.8 | 113.2 | -178.6 | -68.1 | 179.7 | -177.3 | 171 | 0 | 110.5 | C356 C359 F363 | C356-K361 PolarHBondContact N-O 2.91Å; C359-K361 PolarHBondContact O-N 3.34Å; K361-F363 HydrophobicContact CB-CE2 3.75Å; K361-F363 HydrophobicContact CB-CZ 3.82Å; K361-F363 WeakPolarHBondContact O-CD2 3.2Å; K361-F363 WeakPolarHBondContact O-CE2 3.41Å | ||
| 362 | A | 93.6 | Very high | 93.3 | Very high | 21 Ų | 21 | 68.9 Ų | 68.9 | 17% | 0.174 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 143.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | R352 N355 D360 | R352-A362 HydrophobicContact CB-CB 3.62Å; R352-A362 WeakPolarHBondContact CD-O 3.21Å; R352-A362 PolarHBondContact NH1-O 3Å; N355-A362 VanDerWaalsContact OD1-CB 3.22Å; N355-A362 WeakPolarHBondContact OD1-CB 3.5Å; D360-A362 PolarHBondContact O-N 3.37Å |
| 363 | F | 95.2 | Very high | 93.4 | Very high | 38 Ų | 38 | 65.6 Ų | 65.6 | 17% | 0.167 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 152.8 | -175 | -60.6 | -87.3 | 0 | 0 | 0 | 112.8 | R352 F354 K361 N368 L369 H372 | R352-F363 CarbonylContact C-O 3.55Å; R352-F363 VanDerWaalsContact C-O 3.23Å; R352-F363 VanDerWaalsContact CA-O 3.28Å; R352-F363 WeakPolarHBondContact CA-O 3.22Å; F354-F363 HydrophobicContact CB-CB 4.33Å; F354-F363 PolarHBondContact N-O 3.11Å; F354-F363 VanDerWaalsContact N-O 3.07Å; F354-F363 PolarHBondContact O-N 3.25Å; K361-F363 HydrophobicContact CB-CE2 3.75Å; K361-F363 HydrophobicContact CB-CZ 3.82Å; K361-F363 WeakPolarHBondContact O-CD2 3.2Å; K361-F363 WeakPolarHBondContact O-CE2 3.41Å; F363-N368 HydrophobicContact CB-CB 4.11Å; F363-N368 HydrophobicContact CD1-CB 3.94Å; F363-N368 HydrophobicContact CG-CB 4.29Å; F363-L369 HydrophobicContact CB-CB 4.27Å; F363-L369 HydrophobicContact CD2-CB 3.96Å; F363-L369 HydrophobicContact CD2-CD1 4.02Å; F363-L369 HydrophobicContact CE2-CD1 4.29Å; F363-L369 HydrophobicContact CG-CB 4.29Å; F363-H372 HydrophobicContact CE1-CB 3.93Å; F363-H372 HydrophobicContact CE2-CB 3.81Å; F363-H372 AromaticContact CE2-CD2 3.16Å; F363-H372 WeakPolarHBondContact CE2-CD2 3.43Å; F363-H372 AromaticContact CE2-CG 3.53Å; F363-H372 AromaticContact CE2-NE2 3.87Å; F363-H372 HydrophobicContact CZ-CB 3.38Å; F363-H372 AromaticContact CZ-CD2 3.44Å; F363-H372 VanDerWaalsContact CZ-CD2 3.44Å; F363-H372 WeakPolarHBondContact CZ-CD2 3.46Å; F363-H372 AromaticContact CZ-CG 3.27Å; F363-H372 AromaticContact CZ-ND1 3.9Å |
| 364 | T | 93.2 | Very high | 93.6 | Very high | 31 Ų | 31 | 67.6 Ų | 67.6 | 19% | 0.19 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -77.4 | -17.7 | 176.6 | 51.8 | 0 | 0 | 0 | 0 | 113.6 | L346 R352 | L346-T364 HydrophobicContact CB-CG2 3.95Å; L346-T364 WeakPolarHBondContact CD1-O 3.34Å; R352-T364 HydrophobicContact CG-CG2 3.96Å |
| 365 | T | 93.1 | Very high | 93.4 | Very high | 30 Ų | 30 | 69 Ų | 69 | 18% | 0.184 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -141.3 | 148.5 | 177.3 | 65.9 | 0 | 0 | 0 | 0 | 111.7 | R343 G367 N368 L369 | R343-T365 HydrophobicContact CG-CG2 3.73Å; T365-G367 VanDerWaalsContact C-N 3.27Å; T365-G367 PolarHBondContact O-N 2.96Å; T365-N368 PolarHBondContact O-N 3Å; T365-N368 VanDerWaalsContact O-N 3.1Å; T365-N368 WeakPolarHBondContact OG1-CB 3.35Å; T365-N368 VanDerWaalsContact OG1-CG 3.24Å; T365-N368 PolarHBondContact OG1-N 3.4Å; T365-N368 PolarHBondContact OG1-ND2 3.39Å; T365-L369 PolarHBondContact O-N 3.35Å; T365-L369 VanDerWaalsContact O-N 3.14Å |
| 366 | N | 93.9 | Very high | 93.1 | Very high | 70 Ų | 70 | 67.1 Ų | 67.1 | 37% | 0.374 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -57.6 | -41.5 | 173.7 | -166.3 | 16.2 | 0 | 0 | 0 | 111.3 | F354 N368 L369 S370 | F354-N366 HydrophobicContact CD1-CB 3.76Å; F354-N366 VanDerWaalsContact CD2-N 3.33Å; F354-N366 HydrophobicContact CE1-CB 3.69Å; F354-N366 HydrophobicContact CG-CB 4.32Å; F354-N366 HydrophobicContact CZ-CB 4.17Å; N366-N368 PolarHBondContact O-N 3.06Å; N366-L369 CarbonylContact O-C 3.51Å; N366-L369 WeakPolarHBondContact O-CA 3.41Å; N366-L369 WeakPolarHBondContact O-CB 3.27Å; N366-L369 PolarHBondContact O-N 3.15Å; N366-S370 PolarHBondContact O-N 3.43Å; N366-S370 PolarHBondContact O-OG 3.13Å |
| 367 | G | 93.6 | Very high | 92.9 | Very high | 44 Ų | 44 | 69.5 Ų | 69.5 | 45% | 0.454 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -60.9 | -27.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | T365 R371 | T365-G367 VanDerWaalsContact C-N 3.27Å; T365-G367 PolarHBondContact O-N 2.96Å; G367-R371 WeakPolarHBondContact O-CB 3.41Å; G367-R371 PolarHBondContact O-N 3.25Å |
| 368 | N | 94.9 | Very high | 92.3 | Very high | 46 Ų | 46 | 67.6 Ų | 67.6 | 25% | 0.246 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -77.7 | -39.6 | 171.1 | -74.3 | -22 | 0 | 0 | 0 | 111.7 | F363 T365 N366 R371 H372 | F363-N368 HydrophobicContact CB-CB 4.11Å; F363-N368 HydrophobicContact CD1-CB 3.94Å; F363-N368 HydrophobicContact CG-CB 4.29Å; T365-N368 PolarHBondContact O-N 3Å; T365-N368 VanDerWaalsContact O-N 3.1Å; T365-N368 WeakPolarHBondContact OG1-CB 3.35Å; T365-N368 VanDerWaalsContact OG1-CG 3.24Å; T365-N368 PolarHBondContact OG1-N 3.4Å; T365-N368 PolarHBondContact OG1-ND2 3.39Å; N366-N368 PolarHBondContact O-N 3.06Å; N368-R371 PolarHBondContact O-N 3.06Å; N368-R371 VanDerWaalsContact OD1-CZ 3.26Å; N368-R371 PolarHBondContact OD1-NH1 3.31Å; N368-R371 PolarHBondContact OD1-NH2 3.14Å; N368-H372 WeakPolarHBondContact O-CB 3.41Å; N368-H372 PolarHBondContact O-N 2.84Å |
| 369 | L | 94.8 | Very high | 91 | Very high | 19 Ų | 19 | 66.8 Ų | 66.8 | 10% | 0.099 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -59.8 | -50.6 | 171.6 | 168.5 | 61 | 0 | 0 | 0 | 111.8 | F354 N355 C356 F363 T365 N366 R371 H372 I373 | F354-L369 HydrophobicContact CB-CB 4.06Å; F354-L369 HydrophobicContact CB-CD2 3.9Å; N355-L369 VanDerWaalsContact O-CD2 3.26Å; N355-L369 WeakPolarHBondContact O-CD2 3.12Å; C356-L369 HydrophobicContact CB-CD1 3.67Å; F363-L369 HydrophobicContact CB-CB 4.27Å; F363-L369 HydrophobicContact CD2-CB 3.96Å; F363-L369 HydrophobicContact CD2-CD1 4.02Å; F363-L369 HydrophobicContact CE2-CD1 4.29Å; F363-L369 HydrophobicContact CG-CB 4.29Å; T365-L369 PolarHBondContact O-N 3.35Å; T365-L369 VanDerWaalsContact O-N 3.14Å; N366-L369 CarbonylContact O-C 3.51Å; N366-L369 WeakPolarHBondContact O-CA 3.41Å; N366-L369 WeakPolarHBondContact O-CB 3.27Å; N366-L369 PolarHBondContact O-N 3.15Å; L369-R371 VanDerWaalsContact C-N 3.27Å; L369-R371 PolarHBondContact O-N 2.95Å; L369-H372 WeakPolarHBondContact O-CB 3.33Å; L369-H372 PolarHBondContact O-N 3.22Å; L369-H372 VanDerWaalsContact O-N 3.1Å; L369-I373 HydrophobicContact CD1-CD1 3.82Å; L369-I373 HydrophobicContact CD1-CG1 4.08Å; L369-I373 HydrophobicContact CG-CD1 4.03Å; L369-I373 WeakPolarHBondContact O-CG1 3.49Å; L369-I373 PolarHBondContact O-N 2.94Å |
| 370 | S | 94.6 | Very high | 89.2 | Confident | 24 Ų | 24 | 73.2 Ų | 73.2 | 17% | 0.168 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -60.6 | -37.2 | 177.6 | -42.6 | 0 | 0 | 0 | 0 | 111.7 | N366 R374 | N366-S370 PolarHBondContact O-N 3.43Å; N366-S370 PolarHBondContact O-OG 3.13Å; S370-R374 WeakPolarHBondContact O-CG 3.34Å; S370-R374 PolarHBondContact O-N 3.31Å |
| 371 | R | 94.3 | Very high | 87 | Confident | 126 Ų | 126 | 70.2 Ų | 70.2 | 48% | 0.475 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.5 | -48.4 | 173.1 | -167.9 | -170.9 | -51.6 | 118.8 | 15.6 | 110.8 | G367 N368 L369 I373 R374 T375 | G367-R371 WeakPolarHBondContact O-CB 3.41Å; G367-R371 PolarHBondContact O-N 3.25Å; N368-R371 PolarHBondContact O-N 3.06Å; N368-R371 VanDerWaalsContact OD1-CZ 3.26Å; N368-R371 PolarHBondContact OD1-NH1 3.31Å; N368-R371 PolarHBondContact OD1-NH2 3.14Å; L369-R371 VanDerWaalsContact C-N 3.27Å; L369-R371 PolarHBondContact O-N 2.95Å; R371-I373 PolarHBondContact O-N 3.19Å; R371-R374 PolarHBondContact O-N 3.45Å; R371-T375 HydrophobicContact CG-CG2 4.45Å; R371-T375 WeakPolarHBondContact O-CG2 3.41Å; R371-T375 PolarHBondContact O-N 3.46Å; R371-T375 PolarHBondContact O-OG1 3.19Å; R371-T375 VanDerWaalsContact O-OG1 3.09Å |
| 372 | H | 94.9 | Very high | 84.9 | Confident | 15 Ų | 15 | 68.7 Ų | 68.7 | 7% | 0.069 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -58.3 | -46.7 | 179.1 | 156.5 | 61.8 | 0 | 0 | 0 | 112.8 | C356 C359 F363 N368 L369 R374 T375 S376 H377 | C356-H372 VanDerWaalsContact CB-NE2 3.3Å; C356-H372 WeakPolarHBondContact CB-NE2 3.42Å; C356-H372 PolarHBondContact SG-NE2 2.78Å; C359-H372 VanDerWaalsContact SG-CE1 3.55Å; F363-H372 HydrophobicContact CE1-CB 3.93Å; F363-H372 HydrophobicContact CE2-CB 3.81Å; F363-H372 AromaticContact CE2-CD2 3.16Å; F363-H372 WeakPolarHBondContact CE2-CD2 3.43Å; F363-H372 AromaticContact CE2-CG 3.53Å; F363-H372 AromaticContact CE2-NE2 3.87Å; F363-H372 HydrophobicContact CZ-CB 3.38Å; F363-H372 AromaticContact CZ-CD2 3.44Å; F363-H372 VanDerWaalsContact CZ-CD2 3.44Å; F363-H372 WeakPolarHBondContact CZ-CD2 3.46Å; F363-H372 AromaticContact CZ-CG 3.27Å; F363-H372 AromaticContact CZ-ND1 3.9Å; N368-H372 WeakPolarHBondContact O-CB 3.41Å; N368-H372 PolarHBondContact O-N 2.84Å; L369-H372 WeakPolarHBondContact O-CB 3.33Å; L369-H372 PolarHBondContact O-N 3.22Å; L369-H372 VanDerWaalsContact O-N 3.1Å; H372-R374 VanDerWaalsContact C-N 3.31Å; H372-R374 PolarHBondContact O-N 3.39Å; H372-T375 WeakPolarHBondContact CA-OG1 3.42Å; H372-T375 PolarHBondContact O-N 3.49Å; H372-T375 PolarHBondContact O-OG1 3.45Å; H372-S376 PolarHBondContact CE1-OG 3.46Å; H372-S376 PolarHBondContact ND1-OG 2.66Å; H372-S376 PolarHBondContact O-N 2.98Å; H372-S376 PolarHBondContact O-OG 2.97Å; H372-H377 AromaticContact CE1-CD2 3.71Å; H372-H377 AromaticContact CE1-NE2 3.3Å; H372-H377 PolarHBondContact CE1-NE2 3.25Å; H372-H377 VanDerWaalsContact CE1-NE2 3.3Å; H372-H377 AromaticContact NE2-CD2 3.7Å; H372-H377 AromaticContact NE2-NE2 3.35Å; H372-H377 PolarHBondContact NE2-NE2 3.05Å |
| 373 | I | 93.5 | Very high | 82.2 | Confident | 56 Ų | 56 | 73.9 Ų | 73.9 | 29% | 0.287 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -55.9 | -48 | 175.7 | -67.1 | 166.5 | 0 | 0 | 0 | 110.2 | L369 R371 T375 H377 Q378 | L369-I373 HydrophobicContact CD1-CD1 3.82Å; L369-I373 HydrophobicContact CD1-CG1 4.08Å; L369-I373 HydrophobicContact CG-CD1 4.03Å; L369-I373 WeakPolarHBondContact O-CG1 3.49Å; L369-I373 PolarHBondContact O-N 2.94Å; R371-I373 PolarHBondContact O-N 3.19Å; I373-T375 VanDerWaalsContact C-N 3.26Å; I373-T375 PolarHBondContact O-N 3.02Å; I373-H377 PolarHBondContact O-N 3.07Å; I373-Q378 PolarHBondContact O-N 3.38Å |
| 374 | R | 93.2 | Very high | 79.4 | Confident | 107 Ų | 107 | 78 Ų | 78 | 40% | 0.404 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -67 | -17.8 | 177.5 | -64.8 | -163.4 | -63.8 | -109.6 | 2.3 | 115.3 | S370 R371 H372 Q378 | S370-R374 WeakPolarHBondContact O-CG 3.34Å; S370-R374 PolarHBondContact O-N 3.31Å; R371-R374 PolarHBondContact O-N 3.45Å; H372-R374 VanDerWaalsContact C-N 3.31Å; H372-R374 PolarHBondContact O-N 3.39Å; R374-Q378 VanDerWaalsContact CG-OE1 3.29Å |
| 375 | T | 90.9 | Very high | 76.7 | Confident | 105 Ų | 105 | 83.2 Ų | 83.2 | 64% | 0.644 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -107.4 | -14.8 | -177.3 | 55.4 | 0 | 0 | 0 | 0 | 115 | R371 H372 I373 | R371-T375 HydrophobicContact CG-CG2 4.45Å; R371-T375 WeakPolarHBondContact O-CG2 3.41Å; R371-T375 PolarHBondContact O-N 3.46Å; R371-T375 PolarHBondContact O-OG1 3.19Å; R371-T375 VanDerWaalsContact O-OG1 3.09Å; H372-T375 WeakPolarHBondContact CA-OG1 3.42Å; H372-T375 PolarHBondContact O-N 3.49Å; H372-T375 PolarHBondContact O-OG1 3.45Å; I373-T375 VanDerWaalsContact C-N 3.26Å; I373-T375 PolarHBondContact O-N 3.02Å |
| 376 | S | 89 | Confident | 73.7 | Confident | 62 Ų | 62 | 89.3 Ų | 89.3 | 43% | 0.434 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -136.5 | -7.7 | -176.8 | 52.2 | 0 | 0 | 0 | 0 | 115.8 | H372 | H372-S376 PolarHBondContact CE1-OG 3.46Å; H372-S376 PolarHBondContact ND1-OG 2.66Å; H372-S376 PolarHBondContact O-N 2.98Å; H372-S376 PolarHBondContact O-OG 2.97Å |
| 377 | H | 88 | Confident | 70.5 | Confident | 61 Ų | 61 | 93.5 Ų | 93.5 | 28% | 0.282 | 53% | 0.528 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.2 | -25.5 | 179.4 | -62.6 | -61.1 | 0 | 0 | 0 | 113.4 | L358 C359 H372 I373 A379 | L358-H377 VanDerWaalsContact C-CE1 3.48Å; L358-H377 HydrophobicContact CB-CB 4.38Å; L358-H377 HydrophobicContact CD1-CB 3.59Å; L358-H377 PolarHBondContact O-CE1 3.03Å; C359-H377 PolarHBondContact SG-NE2 3.2Å; C359-H377 VanDerWaalsContact SG-NE2 3.43Å; H372-H377 AromaticContact CE1-CD2 3.71Å; H372-H377 AromaticContact CE1-NE2 3.3Å; H372-H377 PolarHBondContact CE1-NE2 3.25Å; H372-H377 VanDerWaalsContact CE1-NE2 3.3Å; H372-H377 AromaticContact NE2-CD2 3.7Å; H372-H377 AromaticContact NE2-NE2 3.35Å; H372-H377 PolarHBondContact NE2-NE2 3.05Å; I373-H377 PolarHBondContact O-N 3.07Å; H377-A379 PolarHBondContact O-N 3.25Å |
| 378 | Q | 79.9 | Confident | 67.6 | Low | 116 Ų | 116 | 97.3 Ų | 97.3 | 54% | 0.542 | 54% | 0.543 | S | S | . | . | S | Bend | trans | -72.1 | 105.6 | 160.7 | -70.4 | -172.2 | -26.3 | 0 | 0 | 108.7 | I373 R374 K380 | I373-Q378 PolarHBondContact O-N 3.38Å; R374-Q378 VanDerWaalsContact CG-OE1 3.29Å; Q378-K380 PolarHBondContact O-N 3.12Å |
| 379 | A | 63.6 | Low | 64.6 | Low | 95 Ų | 95 | 100.5 Ų | 100.5 | 79% | 0.785 | 57% | 0.569 | S | S | * | * | trans | -52.9 | 130.5 | 161.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | H377 A381 | H377-A379 PolarHBondContact O-N 3.25Å; A379-A381 PolarHBondContact O-N 3.27Å | ||
| 380 | K | 56.2 | Low | 61.6 | Low | 173 Ų | 173 | 107.7 Ų | 107.7 | 75% | 0.752 | 61% | 0.607 | S | S | * | * | trans | -65.8 | 121.3 | 174.4 | -67.5 | 177.8 | -176.5 | 172.3 | 0 | 107.7 | Q378 T382 | Q378-K380 PolarHBondContact O-N 3.12Å; K380-T382 HydrophobicContact CB-CG2 4.07Å; K380-T382 WeakPolarHBondContact CB-OG1 3.32Å; K380-T382 HydrophobicContact CD-CG2 4.18Å; K380-T382 PolarHBondContact O-N 3.19Å; K380-T382 PolarHBondContact O-OG1 2.95Å | ||
| 381 | A | 42.2 | Very low | 58.6 | Low | 110 Ų | 110 | 112.8 Ų | 112.8 | 91% | 0.909 | 64% | 0.637 | S | S | * | * | trans | -72.9 | 52.2 | 158.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | A379 T383 | A379-A381 PolarHBondContact O-N 3.27Å; A381-T383 PolarHBondContact O-N 3.46Å | ||
| 382 | T | 50.2 | Low | 55.4 | Low | 94 Ų | 94 | 112 Ų | 112 | 58% | 0.577 | 65% | 0.651 | S | S | * | * | trans | -78.7 | 108 | 161 | 36.7 | 0 | 0 | 0 | 0 | 106.4 | K380 V384 | K380-T382 HydrophobicContact CB-CG2 4.07Å; K380-T382 WeakPolarHBondContact CB-OG1 3.32Å; K380-T382 HydrophobicContact CD-CG2 4.18Å; K380-T382 PolarHBondContact O-N 3.19Å; K380-T382 PolarHBondContact O-OG1 2.95Å; T382-V384 PolarHBondContact O-N 3.41Å | ||
| 383 | T | 37.9 | Very low | 52.4 | Low | 130 Ų | 130 | 118.2 Ų | 118.2 | 80% | 0.798 | 69% | 0.69 | S | S | * | * | trans | -44.4 | 123.8 | 168.2 | 43.2 | 0 | 0 | 0 | 0 | 109.8 | A381 N385 | A381-T383 PolarHBondContact O-N 3.46Å; T383-N385 PolarHBondContact O-N 2.89Å | ||
| 384 | V | 36.2 | Very low | 49.2 | Very low | 124 Ų | 124 | 121.5 Ų | 121.5 | 75% | 0.752 | 71% | 0.713 | S | S | * | * | trans | -73.4 | 97.9 | 178 | -180 | 0 | 0 | 0 | 0 | 108.4 | T382 | T382-V384 PolarHBondContact O-N 3.41Š| ||
| 385 | N | 34.9 | Very low | 46.1 | Very low | 140 Ų | 140 | 121.5 Ų | 121.5 | 75% | 0.749 | 73% | 0.729 | S | S | * | * | trans | -133.3 | 143.4 | 153.5 | -88.7 | -20.9 | 0 | 0 | 0 | 106.6 | T383 | T383-N385 PolarHBondContact O-N 2.89Š| ||
| 386 | N | 30.2 | Very low | 43.2 | Very low | 159 Ų | 159 | 121.5 Ų | 121.5 | 85% | 0.85 | 73% | 0.734 | S | S | * | * | trans | 64.3 | 71.1 | -176.3 | -54.3 | -2.2 | 0 | 0 | 0 | 114.2 | ||||
| 387 | L | 27.8 | Very low | 40.3 | Very low | 157 Ų | 157 | 123.4 Ų | 123.4 | 82% | 0.822 | 75% | 0.747 | S | S | * | * | trans | -116 | 77.8 | 163.5 | -168.2 | 86.7 | 0 | 0 | 0 | 110.2 | ||||
| 388 | T | 32.6 | Very low | 37.5 | Very low | 124 Ų | 124 | 126.5 Ų | 126.5 | 76% | 0.761 | 77% | 0.77 | S | S | * | * | trans | -139.7 | 141.3 | 175.2 | 44.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 389 | S | 32.3 | Very low | 35.2 | Very low | 113 Ų | 113 | 129.2 Ų | 129.2 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | S | Bend | trans | 74.9 | 151 | -172.8 | 80.2 | 0 | 0 | 0 | 0 | 116.9 | ||
| 390 | L | 31.8 | Very low | 33.5 | Very low | 170 Ų | 170 | 132.8 Ų | 132.8 | 89% | 0.89 | 79% | 0.787 | S | S | * | * | trans | 68.5 | 53.2 | 173.6 | -65.2 | 162.3 | 0 | 0 | 0 | 117.5 | ||||
| 391 | T | 31 | Very low | 32 | Very low | 131 Ų | 131 | 129.7 Ų | 129.7 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | -76 | 117.9 | 154.9 | 45.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 392 | S | 27.2 | Very low | 31.3 | Very low | 109 Ų | 109 | 132.7 Ų | 132.7 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | trans | 17.1 | 116.2 | 150.3 | 57.6 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 393 | T | 30.9 | Very low | 30.1 | Very low | 146 Ų | 146 | 134.4 Ų | 134.4 | 90% | 0.896 | 80% | 0.797 | S | S | * | * | trans | -130.6 | 152.6 | 140.1 | 50.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 394 | T | 26.8 | Very low | 29.8 | Very low | 125 Ų | 125 | 137.3 Ų | 137.3 | 77% | 0.767 | 80% | 0.798 | S | S | * | * | trans | -131.8 | 163.3 | -179.5 | 47 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 395 | S | 29.3 | Very low | 29.2 | Very low | 107 Ų | 107 | 139.5 Ų | 139.5 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | trans | 71.9 | 144.6 | 164.4 | 39.8 | 0 | 0 | 0 | 0 | 120 | ||||
| 396 | S | 30 | Very low | 28.8 | Very low | 106 Ų | 106 | 138.6 Ų | 138.6 | 74% | 0.741 | 81% | 0.805 | S | S | * | * | trans | 78 | 90.4 | 154.8 | -54.9 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 397 | S | 27.8 | Very low | 28.6 | Very low | 101 Ų | 101 | 137 Ų | 137 | 71% | 0.706 | 80% | 0.801 | S | S | * | * | 39.7 | 140.2 | 122.2 | 56.1 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 398 | T | 28.8 | Very low | 28.5 | Very low | 127 Ų | 127 | 139 Ų | 139 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | trans | 65.4 | 87.9 | 153.8 | 35.5 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 399 | I | 32.2 | Very low | 28 | Very low | 173 Ų | 173 | 140.6 Ų | 140.6 | 89% | 0.887 | 81% | 0.807 | S | S | * | * | trans | -128.3 | 136.7 | 134.9 | -64 | -178 | 0 | 0 | 0 | 106.8 | ||||
| 400 | Q | 26.8 | Very low | 28.4 | Very low | 169 Ų | 169 | 139.8 Ų | 139.8 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | trans | -103.5 | 162 | 172.7 | -75.6 | 177.2 | -50.8 | 0 | 0 | 110.7 | ||||
| 401 | S | 26 | Very low | 27.9 | Very low | 108 Ų | 108 | 138.5 Ų | 138.5 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | trans | 44.8 | 110 | 157.2 | 57.4 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 402 | I | 27.4 | Very low | 27.5 | Very low | 174 Ų | 174 | 143.8 Ų | 143.8 | 89% | 0.892 | 80% | 0.798 | S | S | * | * | -142.1 | 138.1 | 120.6 | -98.4 | 154.2 | 0 | 0 | 0 | 107.3 | |||||
| 403 | T | 25.2 | Very low | 27.2 | Very low | 130 Ų | 130 | 147.8 Ų | 147.8 | 80% | 0.798 | 80% | 0.802 | S | S | * | * | trans | -124.6 | 121.1 | 173 | 36.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 404 | K | 30.2 | Very low | 26.8 | Very low | 190 Ų | 190 | 148.2 Ų | 148.2 | 83% | 0.826 | 79% | 0.794 | S | S | * | * | trans | 179.4 | 126.3 | 148.2 | -101.9 | 159.8 | -174.7 | -176 | 0 | 111.8 | ||||
| 405 | Q | 25 | Very low | 26.5 | Very low | 171 Ų | 171 | 147.9 Ų | 147.9 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | trans | 36.8 | 161.4 | 132.6 | -69.4 | 168.9 | -37.6 | 0 | 0 | 123.3 | ||||
| 406 | S | 25.9 | Very low | 26.3 | Very low | 121 Ų | 121 | 147.1 Ų | 147.1 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | trans | 86.4 | 164.9 | 169.5 | 79.3 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 407 | T | 25.4 | Very low | 26.1 | Very low | 124 Ų | 124 | 149 Ų | 149 | 76% | 0.761 | 79% | 0.794 | S | S | * | * | trans | -136 | -179.6 | -147.5 | 46.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 408 | F | 25.6 | Very low | 25.8 | Very low | 200 Ų | 200 | 149.4 Ų | 149.4 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | trans | 81.4 | 162.9 | 173 | -83.9 | -89.6 | 0 | 0 | 0 | 119.1 | ||||
| 409 | L | 23.1 | Very low | 25.7 | Very low | 157 Ų | 157 | 151.7 Ų | 151.7 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | trans | -109.9 | -162.4 | -164.9 | -64.4 | 157.6 | 0 | 0 | 0 | 109.3 | ||||
| 410 | P | 40.9 | Very low | 25.2 | Very low | 97 Ų | 97 | 151.6 Ų | 151.6 | 63% | 0.63 | 80% | 0.798 | S | S | * | * | -127.7 | -177.8 | -84.7 | 40.6 | -25.6 | 0 | 0 | 0 | 113.1 | |||||
| 411 | N | 20.3 | Very low | 25.3 | Very low | 143 Ų | 143 | 150.2 Ų | 150.2 | 77% | 0.765 | 80% | 0.801 | S | S | * | * | trans | 66.5 | 127.5 | 166.8 | -53.1 | -27.6 | 0 | 0 | 0 | 116.9 | ||||
| 412 | W | 22 | Very low | 25.2 | Very low | 241 Ų | 241 | 149.4 Ų | 149.4 | 91% | 0.913 | 80% | 0.795 | S | S | * | * | -162.2 | 170.2 | 107.6 | -116.3 | 52.9 | 0 | 0 | 0 | 112.2 | |||||
| 413 | F | 21.4 | Very low | 25.4 | Very low | 193 Ų | 193 | 147 Ų | 147 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | trans | -100.3 | 151 | 179 | -131.1 | -99.4 | 0 | 0 | 0 | 109.3 | ||||
| 414 | Q | 22 | Very low | 25.5 | Very low | 155 Ų | 155 | 148.4 Ų | 148.4 | 72% | 0.724 | 79% | 0.792 | S | S | * | * | trans | 146.7 | 144.7 | 136.8 | -82.9 | -178.2 | 2.6 | 0 | 0 | 114.1 | ||||
| 415 | S | 22.5 | Very low | 25.2 | Very low | 118 Ų | 118 | 144.3 Ų | 144.3 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | trans | 60.8 | 159.9 | 160.4 | 65.4 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 416 | S | 23.2 | Very low | 25.3 | Very low | 91 Ų | 91 | 143.6 Ų | 143.6 | 64% | 0.636 | 79% | 0.789 | S | S | * | * | cis | -154 | 154.8 | -25.9 | 48.5 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 417 | N | 27.7 | Very low | 25.2 | Very low | 147 Ų | 147 | 143.7 Ų | 143.7 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | -169.2 | 163 | 64.2 | -93.9 | -49.5 | 0 | 0 | 0 | 110.5 | |||||
| 418 | S | 20.5 | Very low | 25.2 | Very low | 109 Ų | 109 | 148.8 Ų | 148.8 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | trans | -72.1 | 133.5 | 161.7 | 52.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 419 | L | 26 | Very low | 25.4 | Very low | 174 Ų | 174 | 145.3 Ų | 145.3 | 91% | 0.911 | 79% | 0.787 | S | S | * | * | trans | -122.3 | 132.8 | 157.8 | -86.1 | 173.2 | 0 | 0 | 0 | 109.5 | ||||
| 420 | H | 22.5 | Very low | 25.6 | Very low | 171 Ų | 171 | 147 Ų | 147 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | trans | -114.8 | 102.5 | -163.4 | -160.6 | -71.1 | 0 | 0 | 0 | 109.5 | ||||
| 421 | V | 28.6 | Very low | 24.8 | Very low | 140 Ų | 140 | 150.7 Ų | 150.7 | 85% | 0.848 | 80% | 0.801 | S | S | * | * | trans | -135 | 119.4 | 172.3 | -176.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 422 | S | 25 | Very low | 25 | Very low | 91 Ų | 91 | 153 Ų | 153 | 64% | 0.636 | 80% | 0.804 | S | S | * | * | trans | -76.2 | 153.5 | -179.9 | -55.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 423 | P | 30.7 | Very low | 25.2 | Very low | 125 Ų | 125 | 147.4 Ų | 147.4 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | trans | -80.1 | 133.7 | -169.9 | 31.1 | -35.2 | 0 | 0 | 0 | 113.2 | S425 | P423-S425 PolarHBondContact O-N 2.89Š| ||
| 424 | I | 27.9 | Very low | 25.4 | Very low | 159 Ų | 159 | 143.3 Ų | 143.3 | 82% | 0.815 | 80% | 0.797 | S | S | * | * | trans | -77.7 | 110.9 | 161.1 | -64.6 | 177.1 | 0 | 0 | 0 | 108.1 | ||||
| 425 | S | 23.4 | Very low | 25.6 | Very low | 104 Ų | 104 | 140.8 Ų | 140.8 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | trans | -69.2 | 126.3 | 166.4 | 55.1 | 0 | 0 | 0 | 0 | 110.2 | P423 | P423-S425 PolarHBondContact O-N 2.89Š| ||
| 426 | N | 26.5 | Very low | 25.8 | Very low | 156 Ų | 156 | 143.2 Ų | 143.2 | 83% | 0.834 | 80% | 0.8 | S | S | * | * | trans | -138.6 | 122 | 156.9 | -119.5 | -28.9 | 0 | 0 | 0 | 110.1 | ||||
| 427 | T | 24.7 | Very low | 26 | Very low | 123 Ų | 123 | 147.7 Ų | 147.7 | 76% | 0.755 | 81% | 0.811 | S | S | * | * | trans | -90.5 | 129.1 | -172.4 | 48.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 428 | Y | 25.5 | Very low | 25.9 | Very low | 231 Ų | 231 | 149.3 Ų | 149.3 | 91% | 0.906 | 81% | 0.814 | S | S | * | * | trans | -136.1 | 153.1 | 150.6 | -114.2 | -85.1 | 0 | 0 | 0 | 111.6 | ||||
| 429 | T | 29.2 | Very low | 26.1 | Very low | 126 Ų | 126 | 149.6 Ų | 149.6 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | trans | -79.4 | 127.9 | -155.2 | 38.9 | 0 | 0 | 0 | 0 | 114 | L431 | T429-L431 PolarHBondContact O-N 3.02Š| ||
| 430 | K | 26.6 | Very low | 26.2 | Very low | 194 Ų | 194 | 148.5 Ų | 148.5 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | trans | -88.1 | 89.6 | -176.1 | -166.3 | 169.1 | -171.9 | 168.3 | 0 | 111.1 | K432 | K430-K432 PolarHBondContact O-N 3.32Š| ||
| 431 | L | 24.6 | Very low | 26.2 | Very low | 173 Ų | 173 | 148.3 Ų | 148.3 | 91% | 0.906 | 80% | 0.804 | S | S | * | * | trans | -55.6 | 108 | 172.8 | -81.3 | 165.8 | 0 | 0 | 0 | 110.9 | T429 | T429-L431 PolarHBondContact O-N 3.02Š| ||
| 432 | K | 25.2 | Very low | 25.9 | Very low | 191 Ų | 191 | 149 Ų | 149 | 83% | 0.83 | 80% | 0.8 | S | S | * | * | trans | -90.8 | 106.3 | 168.6 | -73.6 | -178.3 | 178.2 | 177.1 | 0 | 109.2 | K430 S434 | K430-K432 PolarHBondContact O-N 3.32Å; K432-S434 PolarHBondContact O-N 3.05Å | ||
| 433 | S | 25.2 | Very low | 26 | Very low | 125 Ų | 125 | 152 Ų | 152 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | trans | -78.7 | 102.2 | 154.6 | 39.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 434 | S | 26.6 | Very low | 25.6 | Very low | 106 Ų | 106 | 154.9 Ų | 154.9 | 74% | 0.741 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -74 | 142.2 | -179 | 47.4 | 0 | 0 | 0 | 0 | 112.5 | K432 | K432-S434 PolarHBondContact O-N 3.05Š|
| 435 | S | 26.9 | Very low | 25.6 | Very low | 103 Ų | 103 | 157.8 Ų | 157.8 | 72% | 0.72 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 137.2 | 170.9 | 53.3 | 0 | 0 | 0 | 0 | 112.7 | Q437 | S435-Q437 PolarHBondContact O-N 2.92Š|
| 436 | N | 26.4 | Very low | 25.7 | Very low | 168 Ų | 168 | 159.7 Ų | 159.7 | 90% | 0.898 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -60 | 123.5 | 169.1 | -66.6 | -13.5 | 0 | 0 | 0 | 110.8 | ||
| 437 | Q | 27.4 | Very low | 25.6 | Very low | 185 Ų | 185 | 157.9 Ų | 157.9 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | trans | -112.2 | 172.8 | 160.3 | -82.7 | -170 | -28.7 | 0 | 0 | 110.5 | S435 | S435-Q437 PolarHBondContact O-N 2.92Š| ||
| 438 | H | 23.9 | Very low | 25.6 | Very low | 181 Ų | 181 | 162.9 Ų | 162.9 | 84% | 0.838 | 81% | 0.807 | S | S | * | * | trans | -80.2 | -179.6 | -166.8 | -108 | -105.6 | 0 | 0 | 0 | 114.6 | ||||
| 439 | T | 26.1 | Very low | 25.5 | Very low | 115 Ų | 115 | 157.5 Ų | 157.5 | 71% | 0.706 | 80% | 0.801 | S | S | * | * | trans | 81.9 | 103.5 | 160.5 | 41.4 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 440 | I | 27.4 | Very low | 25.2 | Very low | 152 Ų | 152 | 157.7 Ų | 157.7 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | 49.3 | 100.3 | 118.8 | -54.7 | 170.8 | 0 | 0 | 0 | 117.8 | |||||
| 441 | E | 22.3 | Very low | 24.9 | Very low | 167 Ų | 167 | 155.2 Ų | 155.2 | 78% | 0.78 | 79% | 0.792 | S | S | * | * | 36.4 | 146.3 | 116.1 | -104.7 | 170.7 | -161.1 | 0 | 0 | 123.2 | |||||
| 442 | M | 22.1 | Very low | 24.9 | Very low | 153 Ų | 153 | 155.4 Ų | 155.4 | 75% | 0.754 | 79% | 0.789 | S | S | * | * | trans | 73.9 | 88.1 | 163.3 | -58.9 | -64 | 178.1 | 0 | 0 | 118.7 | ||||
| 443 | N | 27.2 | Very low | 24.8 | Very low | 156 Ų | 156 | 156.3 Ų | 156.3 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | -173.9 | 142.8 | 89.8 | -91.1 | -22 | 0 | 0 | 0 | 112.4 | |||||
| 444 | E | 22.7 | Very low | 24.9 | Very low | 184 Ų | 184 | 156 Ų | 156 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | trans | -87.4 | 137.8 | 164.1 | -63.1 | 177.9 | 119.1 | 0 | 0 | 109.4 | ||||
| 445 | Y | 27.1 | Very low | 25.5 | Very low | 221 Ų | 221 | 156.5 Ų | 156.5 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | trans | -151.8 | 163.4 | 148.9 | -124.9 | -84.8 | 0 | 0 | 0 | 111.1 | ||||
| 446 | Q | 26.2 | Very low | 25.2 | Very low | 143 Ų | 143 | 157.8 Ų | 157.8 | 67% | 0.668 | 79% | 0.794 | S | S | * | * | trans | -78.8 | 156.8 | -148.6 | -67.3 | 174.8 | -101.8 | 0 | 0 | 118.2 | ||||
| 447 | D | 24.8 | Very low | 25.3 | Very low | 119 Ų | 119 | 159.8 Ų | 159.8 | 64% | 0.636 | 80% | 0.795 | S | S | * | * | trans | 49 | 117 | 139.6 | -71.2 | -61.6 | 0 | 0 | 0 | 122.6 | ||||
| 448 | R | 23.8 | Very low | 25.1 | Very low | 228 Ų | 228 | 155.8 Ų | 155.8 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | 35.9 | 110 | 124 | -59.1 | 174.2 | 171.7 | -158.7 | -1.2 | 118.5 | |||||
| 449 | C | 23.6 | Very low | 25.2 | Very low | 118 Ų | 118 | 151.5 Ų | 151.5 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | -168.4 | 120.3 | 118.1 | -113.5 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 450 | N | 22.4 | Very low | 25.3 | Very low | 130 Ų | 130 | 152.7 Ų | 152.7 | 70% | 0.695 | 78% | 0.78 | S | S | * | * | 42.9 | 120.6 | 126.1 | -77.3 | -7.8 | 0 | 0 | 0 | 125.2 | |||||
| 451 | I | 21.7 | Very low | 25.3 | Very low | 142 Ų | 142 | 152.1 Ų | 152.1 | 73% | 0.728 | 78% | 0.778 | S | S | * | * | 81.5 | 154.9 | 122.6 | -58.2 | 167.2 | 0 | 0 | 0 | 118.9 | |||||
| 452 | Q | 24.1 | Very low | 25.4 | Very low | 177 Ų | 177 | 150.7 Ų | 150.7 | 83% | 0.827 | 78% | 0.775 | S | S | * | * | trans | 76 | 116.2 | -178.8 | -46.5 | -159.6 | -0 | 0 | 0 | 114.1 | ||||
| 453 | K | 22 | Very low | 25.7 | Very low | 210 Ų | 210 | 151 Ų | 151 | 91% | 0.913 | 78% | 0.78 | S | S | * | * | cis | 61.9 | 99.1 | 21.2 | -73.1 | -166.8 | -179.3 | -175.1 | 0 | 115.7 | ||||
| 454 | S | 27.5 | Very low | 25.6 | Very low | 117 Ų | 117 | 152 Ų | 152 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | -148.6 | 161.5 | 158.3 | 68.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 455 | P | 39.2 | Very low | 26.2 | Very low | 118 Ų | 118 | 146.9 Ų | 146.9 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | trans | -129.2 | 167.9 | -131.8 | 43.2 | -32.2 | 0 | 0 | 0 | 119.3 | ||||
| 456 | V | 22 | Very low | 26.1 | Very low | 130 Ų | 130 | 143.3 Ų | 143.3 | 79% | 0.788 | 77% | 0.771 | S | S | * | * | trans | -1.7 | 134.6 | 147.1 | -175.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 457 | K | 27.9 | Very low | 26.1 | Very low | 210 Ų | 210 | 143.6 Ų | 143.6 | 91% | 0.913 | 78% | 0.776 | S | S | * | * | trans | -141.8 | 168.7 | 138.8 | -107.7 | 178.7 | -177.4 | -177.2 | 0 | 110.6 | ||||
| 458 | S | 22.2 | Very low | 26.4 | Very low | 100 Ų | 100 | 143.2 Ų | 143.2 | 70% | 0.699 | 78% | 0.783 | S | S | * | * | trans | -131.6 | -169.7 | -157.2 | 57.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 459 | S | 26 | Very low | 26.4 | Very low | 92 Ų | 92 | 137.8 Ų | 137.8 | 64% | 0.643 | 78% | 0.78 | S | S | * | * | trans | 100.9 | 124.6 | 148.2 | -46.3 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 460 | D | 29.7 | Very low | 26.7 | Very low | 139 Ų | 139 | 141.8 Ų | 141.8 | 74% | 0.743 | 78% | 0.784 | S | S | * | * | trans | 92.3 | 107.4 | 133.1 | -56.6 | -11.3 | 0 | 0 | 0 | 124.6 | ||||
| 461 | L | 27.3 | Very low | 26.7 | Very low | 141 Ų | 141 | 143.2 Ų | 143.2 | 74% | 0.738 | 79% | 0.789 | S | S | * | * | 72.6 | 118.3 | 121.2 | -63.9 | 170.7 | 0 | 0 | 0 | 123.1 | |||||
| 462 | N | 24.4 | Very low | 26.9 | Very low | 136 Ų | 136 | 144.4 Ų | 144.4 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | 18.8 | 133 | 130.9 | -55.7 | -6.4 | 0 | 0 | 0 | 120.3 | ||||
| 463 | N | 28.5 | Very low | 26.9 | Very low | 161 Ų | 161 | 144.5 Ų | 144.5 | 86% | 0.861 | 79% | 0.793 | S | S | * | * | -166.8 | 166.1 | 103.7 | -107.8 | -32.3 | 0 | 0 | 0 | 115.2 | |||||
| 464 | H | 25.4 | Very low | 27 | Very low | 175 Ų | 175 | 139 Ų | 139 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | trans | -76.8 | 153.7 | 174.8 | -80.7 | -88.1 | 0 | 0 | 0 | 113.3 | ||||
| 465 | G | 33.4 | Very low | 27 | Very low | 77 Ų | 77 | 142.4 Ų | 142.4 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | trans | -126.5 | 141 | 155.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 466 | I | 25.6 | Very low | 26.3 | Very low | 147 Ų | 147 | 142 Ų | 142 | 75% | 0.754 | 78% | 0.784 | S | S | * | * | trans | -129.4 | 157.1 | -170.7 | -60.1 | 176.6 | 0 | 0 | 0 | 109.8 | ||||
| 467 | D | 26.5 | Very low | 26.5 | Very low | 148 Ų | 148 | 139.4 Ų | 139.4 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | trans | 107.4 | 164.9 | 143.2 | -126.2 | -30.8 | 0 | 0 | 0 | 121.2 | ||||
| 468 | S | 30.7 | Very low | 26.5 | Very low | 112 Ų | 112 | 136.9 Ų | 136.9 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | trans | 86.1 | 79.8 | 165.1 | -64.7 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 469 | S | 24.4 | Very low | 26.7 | Very low | 113 Ų | 113 | 139 Ų | 139 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | trans | -62.7 | 145.2 | 161.2 | -58.3 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 470 | K | 29.4 | Very low | 26.6 | Very low | 202 Ų | 202 | 141 Ų | 141 | 88% | 0.878 | 79% | 0.791 | S | S | * | * | trans | -173.1 | 107.8 | 147.9 | -100.1 | 150.3 | -173.9 | 175.7 | 0 | 108.1 | ||||
| 471 | M | 22.5 | Very low | 26.4 | Very low | 161 Ų | 161 | 140.7 Ų | 140.7 | 79% | 0.793 | 80% | 0.799 | S | S | * | * | 56.5 | 97.3 | 75.7 | -74.6 | -144.2 | 72.5 | 0 | 0 | 116.2 | |||||
| 472 | L | 27 | Very low | 26.1 | Very low | 167 Ų | 167 | 142.9 Ų | 142.9 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | trans | 165.8 | 95.8 | 141.9 | -91.7 | 155.7 | 0 | 0 | 0 | 107.4 | ||||
| 473 | K | 24.4 | Very low | 26.3 | Very low | 178 Ų | 178 | 141.7 Ų | 141.7 | 77% | 0.774 | 81% | 0.81 | S | S | * | * | 48 | 96 | 89.7 | -78 | -165.2 | 173.9 | -174.4 | 0 | 115.2 | |||||
| 474 | S | 22.2 | Very low | 26.1 | Very low | 96 Ų | 96 | 143.5 Ų | 143.5 | 67% | 0.671 | 81% | 0.81 | S | S | * | * | trans | 41.6 | 121.9 | 134.9 | 58.5 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 475 | H | 28 | Very low | 25.9 | Very low | 187 Ų | 187 | 143.1 Ų | 143.1 | 87% | 0.866 | 81% | 0.811 | S | S | * | * | -159.9 | 165 | 112.7 | -109.4 | -72.4 | 0 | 0 | 0 | 113 | |||||
| 476 | S | 24.8 | Very low | 25.7 | Very low | 110 Ų | 110 | 146.3 Ų | 146.3 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | trans | -84.6 | 151.9 | 176.9 | 49.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 477 | G | 26.2 | Very low | 25.6 | Very low | 76 Ų | 76 | 146 Ų | 146 | 78% | 0.784 | 81% | 0.809 | S | S | * | * | trans | -169.4 | 128 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 478 | N | 27.8 | Very low | 25.9 | Very low | 157 Ų | 157 | 147.1 Ų | 147.1 | 84% | 0.84 | 81% | 0.814 | S | S | * | * | trans | -71.8 | 157.6 | -169.3 | -59.7 | -14 | 0 | 0 | 0 | 116.5 | ||||
| 479 | D | 26 | Very low | 25.6 | Very low | 145 Ų | 145 | 149.6 Ų | 149.6 | 78% | 0.775 | 81% | 0.813 | S | S | * | * | trans | 9.7 | 142.2 | 138.7 | -71.7 | -54.1 | 0 | 0 | 0 | 123.5 | ||||
| 480 | V | 25.4 | Very low | 25.6 | Very low | 132 Ų | 132 | 149.2 Ų | 149.2 | 80% | 0.8 | 81% | 0.81 | S | S | * | * | trans | 63 | 109.4 | 146 | 179.2 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 481 | C | 25 | Very low | 25.3 | Very low | 134 Ų | 134 | 145.8 Ų | 145.8 | 91% | 0.905 | 81% | 0.807 | S | S | * | * | trans | -159.4 | 168.2 | 135.8 | -112.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 482 | M | 20.3 | Very low | 25.6 | Very low | 186 Ų | 186 | 142.3 Ų | 142.3 | 92% | 0.916 | 80% | 0.798 | S | S | * | * | trans | -106.8 | 143.3 | -176.3 | -69.2 | -148.3 | -61.6 | 0 | 0 | 114.6 | ||||
| 483 | S | 28.3 | Very low | 25.5 | Very low | 111 Ų | 111 | 138.1 Ų | 138.1 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | trans | -159.4 | 120.2 | 155 | 44.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 484 | K | 24.8 | Very low | 25.6 | Very low | 200 Ų | 200 | 132.3 Ų | 132.3 | 87% | 0.87 | 75% | 0.754 | S | S | * | * | 77.5 | 115.7 | 71.5 | -88.5 | -171.2 | 173.4 | -180 | 0 | 115.1 | |||||
| 485 | M | 21.7 | Very low | 25.8 | Very low | 166 Ų | 166 | 131.9 Ų | 131.9 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | trans | 30.8 | 119.1 | 144.2 | -67.2 | 175.9 | 163.9 | 0 | 0 | 120.5 | ||||
| 486 | N | 28.6 | Very low | 25.8 | Very low | 145 Ų | 145 | 131.6 Ų | 131.6 | 78% | 0.775 | 74% | 0.74 | S | S | * | * | -173.4 | 135.1 | 102.3 | -84.5 | -32 | 0 | 0 | 0 | 108 | |||||
| 487 | L | 24 | Very low | 25.8 | Very low | 141 Ų | 141 | 135.4 Ų | 135.4 | 74% | 0.738 | 75% | 0.746 | S | S | * | * | cis | 81.6 | 98 | 43 | -168.4 | 69.5 | 0 | 0 | 0 | 113.6 | ||||
| 488 | L | 32 | Very low | 25.8 | Very low | 170 Ų | 170 | 137.2 Ų | 137.2 | 89% | 0.89 | 75% | 0.747 | S | S | * | * | trans | -128.9 | 162.9 | 155 | -90.3 | 166.8 | 0 | 0 | 0 | 108.4 | ||||
| 489 | Q | 24.4 | Very low | 25.7 | Very low | 164 Ų | 164 | 137 Ų | 137 | 77% | 0.766 | 75% | 0.745 | S | S | * | * | trans | -114.2 | 179.2 | -144.1 | -62 | 174.3 | -34.1 | 0 | 0 | 116 | ||||
| 490 | S | 24.4 | Very low | 25.5 | Very low | 105 Ų | 105 | 137 Ų | 137 | 73% | 0.734 | 74% | 0.743 | S | S | * | * | trans | 76.4 | 106.9 | 161.1 | 72.2 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 491 | T | 24.1 | Very low | 25.4 | Very low | 131 Ų | 131 | 137.8 Ų | 137.8 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | 64.9 | 134.8 | 93.1 | 59.6 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 492 | S | 27.5 | Very low | 25.4 | Very low | 88 Ų | 88 | 138.4 Ų | 138.4 | 62% | 0.615 | 74% | 0.742 | S | S | * | * | cis | -150.8 | 159 | 21.2 | 73.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 493 | N | 25.5 | Very low | 25.7 | Very low | 78 Ų | 78 | 133.3 Ų | 133.3 | 42% | 0.417 | 74% | 0.738 | S | S | . | * | 60 | 134.3 | 105.3 | -69.3 | 21.1 | 0 | 0 | 0 | 115.8 | K526 | N493-K526 VanDerWaalsContact OD1-CD 3.28Å; N493-K526 WeakPolarHBondContact OD1-CD 3.38Å; N493-K526 WeakPolarHBondContact OD1-CE 3.45Å; N493-K526 PolarHBondContact OD1-NZ 2.79Å | |||
| 494 | N | 26.8 | Very low | 25.5 | Very low | 57 Ų | 57 | 133.5 Ų | 133.5 | 31% | 0.305 | 74% | 0.739 | S | S | . | * | cis | -149 | -135.7 | -20.8 | -11 | -115.2 | 0 | 0 | 0 | 115.4 | P524 I525 | N494-P524 WeakPolarHBondContact ND2-CD 3.39Å; N494-I525 WeakPolarHBondContact CB-O 3.47Å; N494-I525 PolarHBondContact ND2-N 2.86Å; N494-I525 VanDerWaalsContact ND2-N 3.16Å; N494-I525 VanDerWaalsContact OD1-CA 3.31Å; N494-I525 WeakPolarHBondContact OD1-CA 3.38Å; N494-I525 PolarHBondContact OD1-N 3.34Å | ||
| 495 | N | 26.8 | Very low | 25.6 | Very low | 87 Ų | 87 | 130.2 Ų | 130.2 | 47% | 0.465 | 74% | 0.74 | S | S | . | * | trans | -87.6 | 174.5 | -150.1 | -52.3 | -49.7 | 0 | 0 | 0 | 122.8 | P524 I525 | N495-P524 HydrophobicContact CB-CB 4.03Å; N495-P524 PolarHBondContact ND2-O 3.47Å; N495-P524 WeakPolarHBondContact O-CG 3.32Å; N495-I525 PolarHBondContact ND2-O 3.12Å; N495-I525 PolarHBondContact OD1-O 2.84Å | ||
| 496 | K | 27.9 | Very low | 25.9 | Very low | 180 Ų | 180 | 129.9 Ų | 129.9 | 78% | 0.783 | 74% | 0.74 | S | S | * | * | trans | 68.1 | 101.5 | 135.8 | -84.9 | 169.3 | -179.5 | 177.5 | 0 | 123.6 | ||||
| 497 | Q | 24.8 | Very low | 25.8 | Very low | 190 Ų | 190 | 129.8 Ų | 129.8 | 89% | 0.888 | 74% | 0.739 | S | S | * | * | 23.4 | 107.9 | 125.6 | -64.9 | 177.6 | -35.1 | 0 | 0 | 122.6 | |||||
| 498 | S | 26.1 | Very low | 25.9 | Very low | 115 Ų | 115 | 129.6 Ų | 129.6 | 80% | 0.804 | 74% | 0.739 | S | S | * | * | -175.4 | 116.7 | 126.7 | 56.5 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 499 | N | 24.4 | Very low | 25.5 | Very low | 151 Ų | 151 | 129.5 Ų | 129.5 | 81% | 0.807 | 74% | 0.738 | S | S | * | * | 79.8 | 138.6 | 66.9 | -157.9 | 17.9 | 0 | 0 | 0 | 114.5 | |||||
| 500 | M | 22.9 | Very low | 25.5 | Very low | 146 Ų | 146 | 129.9 Ų | 129.9 | 72% | 0.719 | 74% | 0.74 | S | S | * | * | trans | 81 | 99.9 | 179.4 | -66.6 | -65.3 | 179 | 0 | 0 | 121.5 | ||||
| 501 | N | 22.8 | Very low | 25.5 | Very low | 148 Ų | 148 | 131.8 Ų | 131.8 | 79% | 0.791 | 74% | 0.742 | S | S | * | * | 41.4 | 116.9 | 127.7 | -63.8 | -9.5 | 0 | 0 | 0 | 123.3 | |||||
| 502 | T | 24.5 | Very low | 25.7 | Very low | 147 Ų | 147 | 132 Ų | 132 | 90% | 0.902 | 74% | 0.743 | S | S | * | * | trans | -143.4 | 145.1 | 145.8 | 54.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 503 | G | 26.7 | Very low | 26.2 | Very low | 80 Ų | 80 | 133.3 Ų | 133.3 | 83% | 0.825 | 75% | 0.75 | S | S | * | * | cis | -174.4 | 160.6 | -5.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 504 | S | 25.1 | Very low | 26.2 | Very low | 115 Ų | 115 | 135 Ų | 135 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | trans | -115 | 150.1 | 178.3 | 180 | 0 | 0 | 0 | 0 | 111 | ||||
| 505 | C | 25.5 | Very low | 26 | Very low | 131 Ų | 131 | 143.3 Ų | 143.3 | 89% | 0.885 | 80% | 0.796 | S | S | * | * | trans | -61.5 | 148.5 | -177.6 | -56.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 506 | I | 28.3 | Very low | 25.9 | Very low | 158 Ų | 158 | 146.4 Ų | 146.4 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | trans | -106.9 | 149.1 | -175.7 | -68.7 | 172.6 | 0 | 0 | 0 | 110.4 | ||||
| 507 | N | 26.3 | Very low | 25.7 | Very low | 143 Ų | 143 | 144.2 Ų | 144.2 | 77% | 0.765 | 81% | 0.809 | S | S | * | * | trans | -107.6 | 146.2 | 165.8 | -103.5 | -9 | 0 | 0 | 0 | 110.8 | ||||
| 508 | N | 26.8 | Very low | 25.8 | Very low | 138 Ų | 138 | 144.4 Ų | 144.4 | 74% | 0.738 | 81% | 0.807 | S | S | * | * | trans | 71.7 | 136.5 | 155.3 | -69.8 | -7.2 | 0 | 0 | 0 | 122.3 | ||||
| 509 | L | 23.6 | Very low | 25.6 | Very low | 168 Ų | 168 | 145.2 Ų | 145.2 | 88% | 0.88 | 81% | 0.807 | S | S | * | * | trans | 72.2 | 146.2 | 150.7 | -97.4 | 72.1 | 0 | 0 | 0 | 121.1 | ||||
| 510 | Q | 23.7 | Very low | 25.5 | Very low | 171 Ų | 171 | 145.5 Ų | 145.5 | 80% | 0.799 | 81% | 0.808 | S | S | * | * | trans | -108 | 142.6 | 174.2 | -58.8 | 161 | -60.2 | 0 | 0 | 108.5 | ||||
| 511 | N | 25.7 | Very low | 25.4 | Very low | 145 Ų | 145 | 146.8 Ų | 146.8 | 78% | 0.775 | 81% | 0.812 | S | S | * | * | 172.6 | 130.5 | 126.9 | -90.6 | -20.1 | 0 | 0 | 0 | 114 | |||||
| 512 | T | 26.9 | Very low | 25.3 | Very low | 135 Ų | 135 | 148.4 Ų | 148.4 | 83% | 0.828 | 82% | 0.817 | S | S | * | * | trans | 66.5 | 154.6 | 152.4 | 52.4 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 513 | P | 39.6 | Very low | 25.3 | Very low | 117 Ų | 117 | 147.6 Ų | 147.6 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | trans | -128.8 | 166.2 | -148.3 | 41.8 | -27 | 0 | 0 | 0 | 116.9 | ||||
| 514 | S | 24.5 | Very low | 26 | Very low | 112 Ų | 112 | 146.1 Ų | 146.1 | 78% | 0.783 | 78% | 0.779 | S | S | * | * | trans | -157.3 | 130.6 | 154.8 | -37.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 515 | Y | 22.7 | Very low | 26.1 | Very low | 233 Ų | 233 | 146.5 Ų | 146.5 | 91% | 0.914 | 77% | 0.771 | S | S | * | * | trans | 61 | 145 | 158 | -78.6 | -85.5 | 0 | 0 | 0 | 123.1 | ||||
| 516 | L | 25.4 | Very low | 25.9 | Very low | 151 Ų | 151 | 146.5 Ų | 146.5 | 79% | 0.791 | 76% | 0.756 | S | S | * | * | trans | -106.1 | 152.2 | 175 | -63.6 | 91.8 | 0 | 0 | 0 | 111.7 | ||||
| 517 | N | 24.4 | Very low | 25.9 | Very low | 135 Ų | 135 | 148.5 Ų | 148.5 | 72% | 0.722 | 76% | 0.759 | S | S | * | * | -177.3 | 145 | 109.1 | -103.7 | -63.7 | 0 | 0 | 0 | 116.5 | |||||
| 518 | K | 24.9 | Very low | 25.7 | Very low | 193 Ų | 193 | 147.8 Ų | 147.8 | 84% | 0.839 | 76% | 0.76 | S | S | * | * | trans | 63.3 | 132.5 | 144.7 | -74.6 | 173.4 | -176.1 | -176.2 | 0 | 123.5 | ||||
| 519 | T | 22 | Very low | 25.6 | Very low | 132 Ų | 132 | 146.2 Ų | 146.2 | 81% | 0.81 | 76% | 0.759 | S | S | * | * | trans | -96 | 178.7 | -174.1 | -7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 520 | L | 24.1 | Very low | 25.7 | Very low | 157 Ų | 157 | 146.3 Ų | 146.3 | 82% | 0.822 | 76% | 0.759 | S | S | * | * | trans | 103.9 | 156 | 147.2 | -83.4 | 163.5 | 0 | 0 | 0 | 120.8 | ||||
| 521 | Q | 20.3 | Very low | 25.7 | Very low | 174 Ų | 174 | 144.8 Ų | 144.8 | 81% | 0.813 | 76% | 0.757 | S | S | * | * | trans | -102.8 | 171 | -165.8 | -55.6 | 162.1 | -35.9 | 0 | 0 | 111.6 | ||||
| 522 | M | 20.4 | Very low | 25.6 | Very low | 182 Ų | 182 | 142 Ų | 142 | 90% | 0.897 | 75% | 0.748 | S | S | * | * | trans | -162.2 | 167.6 | 143.6 | -112.7 | -55 | 159.9 | 0 | 0 | 114.2 | ||||
| 523 | E | 24.3 | Very low | 25.4 | Very low | 129 Ų | 129 | 143.7 Ų | 143.7 | 60% | 0.603 | 75% | 0.747 | S | S | * | * | trans | -100.6 | 158.7 | -174.6 | -83.4 | -160.4 | 175.6 | 0 | 0 | 116.1 | ||||
| 524 | P | 40.5 | Very low | 24.6 | Very low | 50 Ų | 50 | 145.5 Ų | 145.5 | 33% | 0.325 | 75% | 0.745 | S | S | . | * | trans | -123.5 | 24.6 | -144 | 1.3 | 26.4 | 0 | 0 | 0 | 122.1 | N494 N495 | N494-P524 WeakPolarHBondContact ND2-CD 3.39Å; N495-P524 HydrophobicContact CB-CB 4.03Å; N495-P524 PolarHBondContact ND2-O 3.47Å; N495-P524 WeakPolarHBondContact O-CG 3.32Å | ||
| 525 | I | 28.4 | Very low | 24.5 | Very low | 122 Ų | 122 | 148.3 Ų | 148.3 | 63% | 0.626 | 74% | 0.74 | S | S | * | * | trans | 76.6 | 152.9 | 167.3 | -56.1 | 160.2 | 0 | 0 | 0 | 119.4 | N494 N495 | N494-I525 WeakPolarHBondContact CB-O 3.47Å; N494-I525 PolarHBondContact ND2-N 2.86Å; N494-I525 VanDerWaalsContact ND2-N 3.16Å; N494-I525 VanDerWaalsContact OD1-CA 3.31Å; N494-I525 WeakPolarHBondContact OD1-CA 3.38Å; N494-I525 PolarHBondContact OD1-N 3.34Å; N495-I525 PolarHBondContact ND2-O 3.12Å; N495-I525 PolarHBondContact OD1-O 2.84Å | ||
| 526 | K | 20.5 | Very low | 24.4 | Very low | 131 Ų | 131 | 145.3 Ų | 145.3 | 57% | 0.57 | 73% | 0.734 | S | S | * | * | trans | -119.2 | 166.8 | 175.4 | -89.6 | 178.3 | 173.3 | 154.5 | 0 | 112.3 | N493 | N493-K526 VanDerWaalsContact OD1-CD 3.28Å; N493-K526 WeakPolarHBondContact OD1-CD 3.38Å; N493-K526 WeakPolarHBondContact OD1-CE 3.45Å; N493-K526 PolarHBondContact OD1-NZ 2.79Å | ||
| 527 | F | 28.9 | Very low | 24.2 | Very low | 201 Ų | 201 | 144 Ų | 144 | 88% | 0.882 | 73% | 0.732 | S | S | * | * | trans | -159.4 | 177.7 | 146.7 | -108.3 | -66.8 | 0 | 0 | 0 | 114.2 | ||||
| 528 | T | 23.2 | Very low | 24.2 | Very low | 128 Ų | 128 | 145.3 Ų | 145.3 | 79% | 0.785 | 74% | 0.739 | S | S | * | * | trans | -123.8 | 177.4 | -163.7 | 47.9 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 529 | S | 22.8 | Very low | 24.1 | Very low | 104 Ų | 104 | 146 Ų | 146 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | trans | -69.8 | 157 | -179.6 | 51.7 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 530 | I | 27.7 | Very low | 24.2 | Very low | 171 Ų | 171 | 144.5 Ų | 144.5 | 88% | 0.877 | 73% | 0.733 | S | S | * | * | trans | -154.1 | 167.1 | 151.1 | -102.6 | 154.2 | 0 | 0 | 0 | 108.6 | ||||
| 531 | N | 22.7 | Very low | 24.8 | Very low | 139 Ų | 139 | 141.9 Ų | 141.9 | 74% | 0.743 | 73% | 0.725 | S | S | * | * | trans | -101 | 176.9 | -159.9 | -63.7 | -23.6 | 0 | 0 | 0 | 115.9 | ||||
| 532 | S | 23.3 | Very low | 24.9 | Very low | 86 Ų | 86 | 140.4 Ų | 140.4 | 60% | 0.601 | 72% | 0.723 | S | S | * | * | trans | 76.7 | 137.2 | 132.7 | 51.1 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 533 | E | 22.9 | Very low | 25 | Very low | 171 Ų | 171 | 139 Ų | 139 | 80% | 0.799 | 72% | 0.719 | S | S | * | * | trans | 63.7 | 134.1 | 146.9 | -73.1 | 138.4 | -135.2 | 0 | 0 | 118.1 | ||||
| 534 | E | 22.2 | Very low | 25 | Very low | 154 Ų | 154 | 138.9 Ų | 138.9 | 72% | 0.72 | 72% | 0.722 | S | S | * | * | cis | -174.2 | 176.2 | 14.7 | -132 | -178.1 | 179.1 | 0 | 0 | 110.3 | ||||
| 535 | Y | 22.4 | Very low | 24.2 | Very low | 172 Ų | 172 | 144 Ų | 144 | 68% | 0.675 | 74% | 0.744 | S | S | * | * | trans | 58.6 | 113.2 | 159.8 | -83.6 | -79.9 | 0 | 0 | 0 | 125 | ||||
| 536 | Q | 22 | Very low | 24.1 | Very low | 169 Ų | 169 | 144.7 Ų | 144.7 | 79% | 0.79 | 75% | 0.749 | S | S | * | * | trans | 74.4 | 114.6 | 137.9 | -93.6 | 165.4 | -3.9 | 0 | 0 | 122.5 | ||||
| 537 | T | 20.1 | Very low | 24.4 | Very low | 123 Ų | 123 | 149 Ų | 149 | 76% | 0.755 | 76% | 0.762 | S | S | * | * | trans | -65.9 | 145.4 | 150.7 | 48.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 538 | D | 25.6 | Very low | 24.3 | Very low | 163 Ų | 163 | 143.9 Ų | 143.9 | 87% | 0.872 | 75% | 0.75 | S | S | * | * | -155.6 | 170.9 | 129.7 | -124.4 | -32.8 | 0 | 0 | 0 | 113.4 | |||||
| 539 | Y | 21.7 | Very low | 24.3 | Very low | 208 Ų | 208 | 143.4 Ų | 143.4 | 82% | 0.816 | 75% | 0.747 | S | S | * | * | trans | -110.5 | 126.6 | -159 | -116.7 | -94.5 | 0 | 0 | 0 | 115.6 | ||||
| 540 | S | 25.1 | Very low | 24.3 | Very low | 101 Ų | 101 | 145 Ų | 145 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | trans | 63.4 | 172.8 | 152.4 | -76.8 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 541 | P | 36.3 | Very low | 24 | Very low | 101 Ų | 101 | 145.8 Ų | 145.8 | 66% | 0.656 | 74% | 0.741 | S | S | * | * | -133.1 | -170.8 | -54.1 | 40 | -24.6 | 0 | 0 | 0 | 112.7 | |||||
| 542 | N | 22.1 | Very low | 24 | Very low | 144 Ų | 144 | 144.4 Ų | 144.4 | 77% | 0.77 | 73% | 0.733 | S | S | * | * | trans | 69.4 | 94.4 | 162.1 | -61.3 | -17.3 | 0 | 0 | 0 | 118.9 | ||||
| 543 | N | 23.1 | Very low | 24 | Very low | 152 Ų | 152 | 147.7 Ų | 147.7 | 81% | 0.813 | 74% | 0.736 | S | S | * | * | trans | -171.1 | 161.1 | 147.4 | -99.5 | -22.7 | 0 | 0 | 0 | 107.5 | ||||
| 544 | L | 23 | Very low | 23.9 | Very low | 126 Ų | 126 | 145.6 Ų | 145.6 | 66% | 0.66 | 73% | 0.726 | S | S | * | * | cis | -168.9 | 167.3 | -26.6 | -164.9 | 61.3 | 0 | 0 | 0 | 106.2 | ||||
| 545 | M | 25 | Very low | 23.9 | Very low | 158 Ų | 158 | 145 Ų | 145 | 78% | 0.778 | 72% | 0.723 | S | S | * | * | trans | 66.4 | 160.6 | 170.2 | -53.1 | -52.9 | -172.8 | 0 | 0 | 115.1 | ||||
| 546 | D | 25 | Very low | 23.9 | Very low | 136 Ų | 136 | 142.8 Ų | 142.8 | 73% | 0.727 | 72% | 0.719 | S | S | * | * | cis | -146.7 | 134.4 | 10.3 | -158.2 | -10.2 | 0 | 0 | 0 | 112.4 | ||||
| 547 | R | 27.6 | Very low | 24 | Very low | 223 Ų | 223 | 142 Ų | 142 | 84% | 0.842 | 72% | 0.715 | S | S | * | * | 165.9 | 131.3 | 127.6 | -94.1 | 174.9 | 170.7 | 170.6 | -1.9 | 115.2 | |||||
| 548 | S | 26.5 | Very low | 24.3 | Very low | 92 Ų | 92 | 142 Ų | 142 | 64% | 0.643 | 71% | 0.711 | S | S | * | * | trans | 38 | 109.3 | 149.7 | 59.3 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 549 | T | 23.1 | Very low | 24.1 | Very low | 118 Ų | 118 | 142.4 Ų | 142.4 | 72% | 0.724 | 71% | 0.705 | S | S | * | * | cis | 63.2 | 142.9 | 48.7 | 82.4 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 550 | N | 22.3 | Very low | 24.5 | Very low | 138 Ų | 138 | 138 Ų | 138 | 74% | 0.738 | 70% | 0.695 | S | S | * | * | trans | 74.1 | 127.1 | 170.1 | -59.3 | -19.7 | 0 | 0 | 0 | 115.4 | ||||
| 551 | Y | 21.9 | Very low | 24.5 | Very low | 187 Ų | 187 | 140.9 Ų | 140.9 | 73% | 0.733 | 70% | 0.697 | S | S | * | * | cis | -147.4 | 144.8 | 17.3 | -119 | -150.6 | 0 | 0 | 0 | 109.3 | ||||
| 552 | I | 23.6 | Very low | 24 | Very low | 111 Ų | 111 | 142.8 Ų | 142.8 | 57% | 0.569 | 70% | 0.702 | S | S | * | * | 65 | 134.6 | 81.6 | -67.1 | -169 | 0 | 0 | 0 | 113.3 | |||||
| 553 | K | 21.7 | Very low | 24 | Very low | 155 Ų | 155 | 142.9 Ų | 142.9 | 67% | 0.674 | 70% | 0.702 | S | S | * | * | cis | -170.5 | 166.2 | -9.7 | -110.2 | -176.8 | -179.6 | -173.7 | 0 | 108.8 | ||||
| 554 | H | 20.8 | Very low | 24.2 | Very low | 127 Ų | 127 | 142.4 Ų | 142.4 | 59% | 0.588 | 70% | 0.699 | S | S | * | * | trans | 62.1 | 175.8 | 153.9 | -70.8 | -154 | 0 | 0 | 0 | 115.2 | ||||
| 555 | E | 23.8 | Very low | 24.1 | Very low | 142 Ų | 142 | 145.2 Ų | 145.2 | 66% | 0.664 | 71% | 0.706 | S | S | * | * | cis | -138.5 | 126.7 | -0.5 | -138.8 | 116.5 | -136.5 | 0 | 0 | 106.9 | ||||
| 556 | Q | 22.5 | Very low | 24.2 | Very low | 124 Ų | 124 | 147.7 Ų | 147.7 | 58% | 0.579 | 71% | 0.713 | S | S | * | * | 62.5 | 137.7 | 99.4 | -64.4 | -174.5 | 27.4 | 0 | 0 | 118 | |||||
| 557 | Q | 22.4 | Very low | 24.1 | Very low | 153 Ų | 153 | 146.3 Ų | 146.3 | 72% | 0.715 | 71% | 0.71 | S | S | * | * | trans | 60.7 | 126.6 | 144.4 | -68.1 | 167.1 | 26.1 | 0 | 0 | 117.6 | ||||
| 558 | N | 26.8 | Very low | 23.9 | Very low | 123 Ų | 123 | 144.5 Ų | 144.5 | 66% | 0.658 | 71% | 0.711 | S | S | * | * | cis | -149.1 | 160.4 | 33.9 | -90.5 | -40.9 | 0 | 0 | 0 | 110.2 | ||||
| 559 | K | 22.8 | Very low | 23.6 | Very low | 171 Ų | 171 | 148.4 Ų | 148.4 | 74% | 0.743 | 72% | 0.723 | S | S | * | * | 59.2 | 131.4 | 63.8 | -87.9 | -173.6 | 174.6 | -156.5 | 0 | 112.2 | |||||
| 560 | D | 28.8 | Very low | 23.6 | Very low | 116 Ų | 116 | 151.7 Ų | 151.7 | 62% | 0.62 | 73% | 0.73 | S | S | * | * | cis | -137 | 138.8 | 16.9 | -68.6 | -61.2 | 0 | 0 | 0 | 110.7 | ||||
| 561 | E | 25.1 | Very low | 23.5 | Very low | 161 Ų | 161 | 149.6 Ų | 149.6 | 75% | 0.752 | 73% | 0.726 | S | S | * | * | 94.3 | 152 | 97.4 | -76 | -167.7 | 165.9 | 0 | 0 | 117.3 | |||||
| 562 | N | 26.6 | Very low | 23.4 | Very low | 142 Ų | 142 | 153.3 Ų | 153.3 | 76% | 0.759 | 74% | 0.739 | S | S | * | * | trans | 74.4 | 95.5 | 175.5 | -61.7 | -63.5 | 0 | 0 | 0 | 116.7 | ||||
| 563 | L | 22.2 | Very low | 23.4 | Very low | 146 Ų | 146 | 153 Ų | 153 | 76% | 0.764 | 75% | 0.746 | S | S | * | * | 87.1 | 145.8 | 52.1 | -150.7 | 91.3 | 0 | 0 | 0 | 112.8 | |||||
| 564 | N | 27.2 | Very low | 23.5 | Very low | 141 Ų | 141 | 151.1 Ų | 151.1 | 75% | 0.754 | 75% | 0.753 | S | S | * | * | trans | 65.1 | 102 | -170.9 | -54.8 | -20.6 | 0 | 0 | 0 | 112.8 | ||||
| 565 | K | 21.3 | Very low | 23.8 | Very low | 185 Ų | 185 | 154.6 Ų | 154.6 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | cis | 59.6 | 78 | 30.8 | -160.7 | -167 | -179.7 | -174.2 | 0 | 113.4 | ||||
| 566 | F | 25.5 | Very low | 24.2 | Very low | 211 Ų | 211 | 155.8 Ų | 155.8 | 93% | 0.925 | 77% | 0.766 | S | S | * | * | trans | -134.2 | 127.7 | 135.5 | -113.2 | -80.6 | 0 | 0 | 0 | 109.8 | ||||
| 567 | T | 24 | Very low | 24.7 | Very low | 107 Ų | 107 | 155 Ų | 155 | 66% | 0.656 | 77% | 0.771 | S | S | * | * | trans | -91.4 | 136.1 | 172.5 | 41.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 568 | E | 23.9 | Very low | 25.3 | Very low | 185 Ų | 185 | 153.6 Ų | 153.6 | 86% | 0.864 | 77% | 0.768 | S | S | * | * | 179.6 | 127.9 | 117.4 | -97.1 | 163.7 | -174.6 | 0 | 0 | 110.9 | |||||
| 569 | I | 20 | Very low | 25.9 | Very low | 173 Ų | 173 | 152.1 Ų | 152.1 | 89% | 0.887 | 76% | 0.764 | S | S | * | * | trans | -126.3 | 103.4 | 162.1 | -64.8 | 175.3 | 0 | 0 | 0 | 105.5 | ||||
| 570 | E | 21.7 | Very low | 26.8 | Very low | 188 Ų | 188 | 148.4 Ų | 148.4 | 88% | 0.879 | 76% | 0.756 | S | S | * | * | trans | -164.4 | 146.5 | 159 | -103.1 | -178.5 | -137.2 | 0 | 0 | 107.3 | ||||
| 571 | S | 21.8 | Very low | 27.6 | Very low | 94 Ų | 94 | 148.1 Ų | 148.1 | 66% | 0.657 | 75% | 0.753 | S | S | * | * | cis | -147.4 | 156.5 | -14 | 57.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 572 | W | 18.9 | Very low | 28.9 | Very low | 264 Ų | 264 | 144.1 Ų | 144.1 | 100% | 1 | 74% | 0.74 | S | S | * | * | trans | -100.2 | 99.3 | 173.7 | -90.1 | 30.3 | 0 | 0 | 0 | 110.3 | S574 | W572-S574 PolarHBondContact O-N 2.82Š| ||
| 573 | S | 23.8 | Very low | 29.5 | Very low | 104 Ų | 104 | 141.8 Ų | 141.8 | 73% | 0.727 | 73% | 0.727 | S | S | * | * | trans | -83.2 | 92.9 | 175.2 | 59.5 | 0 | 0 | 0 | 0 | 111.8 | Y575 | S573-Y575 PolarHBondContact O-N 2.73Š| ||
| 574 | S | 23.7 | Very low | 30.4 | Very low | 117 Ų | 117 | 140.7 Ų | 140.7 | 82% | 0.818 | 72% | 0.721 | S | S | * | * | trans | -75.6 | 105.4 | 177.4 | 58.4 | 0 | 0 | 0 | 0 | 112.3 | W572 | W572-S574 PolarHBondContact O-N 2.82Š| ||
| 575 | Y | 27.8 | Very low | 31.2 | Very low | 200 Ų | 200 | 139.6 Ų | 139.6 | 78% | 0.784 | 71% | 0.712 | S | S | * | * | trans | -110.7 | 113.7 | -179.4 | -115.5 | -107.1 | 0 | 0 | 0 | 114.5 | S573 | S573-Y575 PolarHBondContact O-N 2.73Š| ||
| 576 | K | 30.4 | Very low | 32.3 | Very low | 167 Ų | 167 | 136.9 Ų | 136.9 | 73% | 0.726 | 70% | 0.703 | S | S | * | * | trans | 31.3 | 129.4 | 154.5 | -61.8 | -175.6 | 179.7 | -179.4 | 0 | 121.3 | ||||
| 577 | P | 32.9 | Very low | 33 | Very low | 106 Ų | 106 | 133.4 Ų | 133.4 | 69% | 0.688 | 69% | 0.688 | S | S | * | * | trans | -84.5 | 130 | 169.2 | 33.8 | -32.6 | 0 | 0 | 0 | 113.4 | T579 | P577-T579 PolarHBondContact O-N 2.92Š| ||
| 578 | N | 35.1 | Very low | 34.2 | Very low | 125 Ų | 125 | 132 Ų | 132 | 67% | 0.668 | 68% | 0.683 | S | S | * | * | trans | -93.1 | 52.1 | 178.3 | -91.3 | -12.9 | 0 | 0 | 0 | 113.9 | T582 | N578-T582 PolarHBondContact O-OG1 3.45Š| ||
| 579 | T | 41.3 | Very low | 35.2 | Very low | 92 Ų | 92 | 127.7 Ų | 127.7 | 56% | 0.564 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -93 | -11.5 | 177.9 | 49.7 | 0 | 0 | 0 | 0 | 114.6 | P577 T582 L583 | P577-T579 PolarHBondContact O-N 2.92Å; T579-T582 PolarHBondContact O-OG1 2.94Å; T579-L583 WeakPolarHBondContact O-CG 3.47Å |
| 580 | T | 40.8 | Very low | 36.3 | Very low | 93 Ų | 93 | 125.9 Ų | 125.9 | 57% | 0.571 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -78.9 | -41.1 | 174.7 | 41.2 | 0 | 0 | 0 | 0 | 112.3 | T582 L583 L584 | T580-T582 PolarHBondContact O-N 2.79Å; T580-L583 PolarHBondContact O-N 3.19Å; T580-L584 WeakPolarHBondContact O-CD1 3.34Å; T580-L584 PolarHBondContact O-N 2.83Å |
| 581 | L | 46 | Very low | 36.9 | Very low | 109 Ų | 109 | 126.2 Ų | 126.2 | 57% | 0.571 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -63.4 | -42.9 | -179.2 | -175.3 | 62 | 0 | 0 | 0 | 112 | L583 L584 Q585 | L581-L583 VanDerWaalsContact C-N 3.32Å; L581-L583 PolarHBondContact O-N 2.91Å; L581-L584 PolarHBondContact O-N 2.9Å; L581-Q585 WeakPolarHBondContact O-CB 3.24Å; L581-Q585 PolarHBondContact O-N 3.21Å |
| 582 | T | 51.5 | Low | 37.7 | Very low | 77 Ų | 77 | 127 Ų | 127 | 47% | 0.472 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -63.2 | -35.8 | 175.2 | 33.3 | 0 | 0 | 0 | 0 | 112.5 | N578 T579 T580 Q585 M586 | N578-T582 PolarHBondContact O-OG1 3.45Å; T579-T582 PolarHBondContact O-OG1 2.94Å; T580-T582 PolarHBondContact O-N 2.79Å; T582-Q585 PolarHBondContact O-N 2.85Å; T582-M586 WeakPolarHBondContact O-CG 3.26Å; T582-M586 PolarHBondContact O-N 2.88Å |
| 583 | L | 39.8 | Very low | 38.6 | Very low | 93 Ų | 93 | 120.8 Ų | 120.8 | 49% | 0.487 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -69 | -43.6 | 172.9 | -76.7 | 170.5 | 0 | 0 | 0 | 112.5 | T579 T580 L581 Q585 M586 F587 | T579-L583 WeakPolarHBondContact O-CG 3.47Å; T580-L583 PolarHBondContact O-N 3.19Å; L581-L583 VanDerWaalsContact C-N 3.32Å; L581-L583 PolarHBondContact O-N 2.91Å; L583-Q585 VanDerWaalsContact C-N 3.29Å; L583-Q585 PolarHBondContact O-N 3.13Å; L583-M586 WeakPolarHBondContact O-CB 3.22Å; L583-M586 PolarHBondContact O-N 3.27Å; L583-F587 WeakPolarHBondContact O-CD2 3.5Å; L583-F587 PolarHBondContact O-N 2.81Å |
| 584 | L | 40.4 | Very low | 39 | Very low | 123 Ų | 123 | 120.2 Ų | 120.2 | 64% | 0.644 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -60 | -40.5 | 173.4 | -94.9 | 98.1 | 0 | 0 | 0 | 111.8 | T580 L581 M586 F587 S588 | T580-L584 WeakPolarHBondContact O-CD1 3.34Å; T580-L584 PolarHBondContact O-N 2.83Å; L581-L584 PolarHBondContact O-N 2.9Å; L584-M586 VanDerWaalsContact C-N 3.35Å; L584-M586 PolarHBondContact O-N 2.93Å; L584-F587 PolarHBondContact O-N 2.99Å; L584-S588 PolarHBondContact O-N 2.62Å |
| 585 | Q | 45.2 | Very low | 39.5 | Very low | 119 Ų | 119 | 118.9 Ų | 118.9 | 56% | 0.556 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -67.6 | -34.6 | 178.4 | -157.4 | 168.4 | 15.1 | 0 | 0 | 111.9 | L581 T582 L583 N589 | L581-Q585 WeakPolarHBondContact O-CB 3.24Å; L581-Q585 PolarHBondContact O-N 3.21Å; T582-Q585 PolarHBondContact O-N 2.85Å; L583-Q585 VanDerWaalsContact C-N 3.29Å; L583-Q585 PolarHBondContact O-N 3.13Å; Q585-N589 WeakPolarHBondContact O-CB 3.41Å; Q585-N589 VanDerWaalsContact O-CG 3.3Å; Q585-N589 PolarHBondContact O-N 3.03Å; Q585-N589 VanDerWaalsContact O-N 3.1Å; Q585-N589 PolarHBondContact O-ND2 3.01Å |
| 586 | M | 43.7 | Very low | 39.7 | Very low | 127 Ų | 127 | 117.3 Ų | 117.3 | 63% | 0.626 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -63.9 | -43.7 | 168.3 | -75.6 | 179.2 | 66.6 | 0 | 0 | 112.6 | T582 L583 L584 N589 Y590 | T582-M586 WeakPolarHBondContact O-CG 3.26Å; T582-M586 PolarHBondContact O-N 2.88Å; L583-M586 WeakPolarHBondContact O-CB 3.22Å; L583-M586 PolarHBondContact O-N 3.27Å; L584-M586 VanDerWaalsContact C-N 3.35Å; L584-M586 PolarHBondContact O-N 2.93Å; M586-N589 PolarHBondContact O-N 3.26Å; M586-Y590 WeakPolarHBondContact O-CB 3.43Å; M586-Y590 PolarHBondContact O-N 3.29Å |
| 587 | F | 39.8 | Very low | 39.8 | Very low | 138 Ų | 138 | 115.6 Ų | 115.6 | 61% | 0.605 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -66.8 | -37.3 | 178.2 | -78.1 | -64.3 | 0 | 0 | 0 | 113 | L583 L584 Y590 W591 | L583-F587 WeakPolarHBondContact O-CD2 3.5Å; L583-F587 PolarHBondContact O-N 2.81Å; L584-F587 PolarHBondContact O-N 2.99Å; F587-Y590 PolarHBondContact O-N 3.25Å; F587-W591 PolarHBondContact O-N 3.36Å; F587-W591 VanDerWaalsContact O-N 3.1Å |
| 588 | S | 49.2 | Very low | 39.6 | Very low | 77 Ų | 77 | 113.9 Ų | 113.9 | 54% | 0.538 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -60.6 | -48.3 | 172.4 | -177.3 | 0 | 0 | 0 | 0 | 111.5 | L584 Y590 W591 L592 | L584-S588 PolarHBondContact O-N 2.62Å; S588-Y590 VanDerWaalsContact C-N 3.34Å; S588-Y590 PolarHBondContact O-N 3.15Å; S588-W591 PolarHBondContact O-N 3.04Å; S588-L592 PolarHBondContact O-N 3.38Å; S588-L592 VanDerWaalsContact O-N 3.08Å |
| 589 | N | 45.5 | Very low | 39.2 | Very low | 96 Ų | 96 | 116 Ų | 116 | 51% | 0.513 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -65.5 | -34 | 177.7 | -72.2 | -23.1 | 0 | 0 | 0 | 113.1 | Q585 M586 L592 Q593 | Q585-N589 WeakPolarHBondContact O-CB 3.41Å; Q585-N589 VanDerWaalsContact O-CG 3.3Å; Q585-N589 PolarHBondContact O-N 3.03Å; Q585-N589 VanDerWaalsContact O-N 3.1Å; Q585-N589 PolarHBondContact O-ND2 3.01Å; M586-N589 PolarHBondContact O-N 3.26Å; N589-L592 PolarHBondContact O-N 2.96Å; N589-Q593 PolarHBondContact O-N 2.8Å; N589-Q593 VanDerWaalsContact O-N 3.08Å |
| 590 | Y | 43.5 | Very low | 38.4 | Very low | 134 Ų | 134 | 119.4 Ų | 119.4 | 53% | 0.525 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -67.3 | -41.7 | 176.7 | -173.4 | -111.6 | 0 | 0 | 0 | 112.2 | M586 F587 S588 L592 Q593 L594 | M586-Y590 WeakPolarHBondContact O-CB 3.43Å; M586-Y590 PolarHBondContact O-N 3.29Å; F587-Y590 PolarHBondContact O-N 3.25Å; S588-Y590 VanDerWaalsContact C-N 3.34Å; S588-Y590 PolarHBondContact O-N 3.15Å; Y590-L592 VanDerWaalsContact C-N 3.33Å; Y590-L592 PolarHBondContact O-N 2.79Å; Y590-Q593 PolarHBondContact O-N 3Å; Y590-L594 HydrophobicContact CD1-CD1 4.08Å; Y590-L594 HydrophobicContact CE1-CD1 3.74Å; Y590-L594 PolarHBondContact O-N 3.14Å; Y590-L594 VanDerWaalsContact O-N 3.16Å |
| 591 | W | 32.9 | Very low | 37.7 | Very low | 195 Ų | 195 | 122.3 Ų | 122.3 | 74% | 0.739 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -62.7 | -39 | 171.7 | -104.3 | 83.3 | 0 | 0 | 0 | 112.3 | F587 S588 Q593 L594 S595 | F587-W591 PolarHBondContact O-N 3.36Å; F587-W591 VanDerWaalsContact O-N 3.1Å; S588-W591 PolarHBondContact O-N 3.04Å; W591-Q593 VanDerWaalsContact C-N 3.25Å; W591-Q593 PolarHBondContact O-N 3.28Å; W591-L594 PolarHBondContact O-N 2.87Å; W591-S595 PolarHBondContact O-N 3.31Å |
| 592 | L | 39.7 | Very low | 36.5 | Very low | 110 Ų | 110 | 121.6 Ų | 121.6 | 58% | 0.576 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -71.4 | -15.5 | 177.7 | -142.7 | 78.9 | 0 | 0 | 0 | 114.2 | S588 N589 Y590 S595 | S588-L592 PolarHBondContact O-N 3.38Å; S588-L592 VanDerWaalsContact O-N 3.08Å; N589-L592 PolarHBondContact O-N 2.96Å; Y590-L592 VanDerWaalsContact C-N 3.33Å; Y590-L592 PolarHBondContact O-N 2.79Å; L592-S595 PolarHBondContact O-OG 3.29Å |
| 593 | Q | 38.2 | Very low | 35.1 | Very low | 134 Ų | 134 | 123.3 Ų | 123.3 | 63% | 0.626 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -83.6 | -39.4 | 168 | -77.2 | -172.4 | -36.8 | 0 | 0 | 111.9 | N589 Y590 W591 S595 K596 | N589-Q593 PolarHBondContact O-N 2.8Å; N589-Q593 VanDerWaalsContact O-N 3.08Å; Y590-Q593 PolarHBondContact O-N 3Å; W591-Q593 VanDerWaalsContact C-N 3.25Å; W591-Q593 PolarHBondContact O-N 3.28Å; Q593-S595 VanDerWaalsContact C-N 3.29Å; Q593-S595 PolarHBondContact O-N 3.34Å; Q593-K596 PolarHBondContact O-N 2.99Å; Q593-K596 VanDerWaalsContact O-N 3.13Å |
| 594 | L | 31.2 | Very low | 34.3 | Very low | 93 Ų | 93 | 123.3 Ų | 123.3 | 49% | 0.487 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -64.1 | -33.6 | 179 | -73.4 | 169.1 | 0 | 0 | 0 | 112.5 | Y590 W591 K596 N597 | Y590-L594 HydrophobicContact CD1-CD1 4.08Å; Y590-L594 HydrophobicContact CE1-CD1 3.74Å; Y590-L594 PolarHBondContact O-N 3.14Å; Y590-L594 VanDerWaalsContact O-N 3.16Å; W591-L594 PolarHBondContact O-N 2.87Å; L594-K596 PolarHBondContact O-N 3.07Å; L594-K596 VanDerWaalsContact O-N 3.16Å; L594-N597 PolarHBondContact O-N 3.44Å |
| 595 | S | 34.4 | Very low | 33.7 | Very low | 88 Ų | 88 | 125 Ų | 125 | 62% | 0.615 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | -1.3 | 175.3 | 67.2 | 0 | 0 | 0 | 0 | 115 | W591 L592 Q593 | W591-S595 PolarHBondContact O-N 3.31Å; L592-S595 PolarHBondContact O-OG 3.29Å; Q593-S595 VanDerWaalsContact C-N 3.29Å; Q593-S595 PolarHBondContact O-N 3.34Å |
| 596 | K | 33 | Very low | 33 | Very low | 167 Ų | 167 | 125.2 Ų | 125.2 | 73% | 0.726 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.7 | -5.1 | 179.1 | -70 | -169 | 175.6 | -173.3 | 0 | 114.9 | Q593 L594 G598 | Q593-K596 PolarHBondContact O-N 2.99Å; Q593-K596 VanDerWaalsContact O-N 3.13Å; L594-K596 PolarHBondContact O-N 3.07Å; L594-K596 VanDerWaalsContact O-N 3.16Å; K596-G598 VanDerWaalsContact C-N 3.3Å; K596-G598 PolarHBondContact O-N 3.22Å |
| 597 | N | 30.8 | Very low | 32 | Very low | 131 Ų | 131 | 127 Ų | 127 | 70% | 0.701 | 69% | 0.686 | S | S | * | * | trans | -95 | 46.9 | 178.1 | -71.1 | -10.4 | 0 | 0 | 0 | 112.4 | L594 I599 | L594-N597 PolarHBondContact O-N 3.44Å; N597-I599 PolarHBondContact O-N 3.04Å | ||
| 598 | G | 30.1 | Very low | 31.4 | Very low | 70 Ų | 70 | 128.8 Ų | 128.8 | 72% | 0.722 | 70% | 0.7 | S | S | * | * | trans | -71.4 | 112.9 | 164.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | K596 | K596-G598 VanDerWaalsContact C-N 3.3Å; K596-G598 PolarHBondContact O-N 3.22Å | ||
| 599 | I | 26.5 | Very low | 30.3 | Very low | 169 Ų | 169 | 131.9 Ų | 131.9 | 87% | 0.867 | 71% | 0.711 | S | S | * | * | trans | -74.7 | 134.1 | -177.1 | -66.4 | 177.1 | 0 | 0 | 0 | 110 | N597 | N597-I599 PolarHBondContact O-N 3.04Š| ||
| 600 | L | 24.5 | Very low | 29.2 | Very low | 164 Ų | 164 | 131.5 Ų | 131.5 | 86% | 0.859 | 72% | 0.716 | S | S | * | * | trans | -57.2 | 145.4 | -179.8 | -69.8 | 156.4 | 0 | 0 | 0 | 112.7 | ||||
| 601 | N | 25.4 | Very low | 28.2 | Very low | 154 Ų | 154 | 136.4 Ų | 136.4 | 82% | 0.824 | 73% | 0.733 | S | S | * | * | trans | -135.7 | 119.1 | 155.4 | -127.7 | -2.9 | 0 | 0 | 0 | 110.6 | ||||
| 602 | S | 21.6 | Very low | 28.1 | Very low | 94 Ų | 94 | 134 Ų | 134 | 66% | 0.657 | 74% | 0.74 | S | S | * | * | trans | 43.6 | 129.4 | 155.2 | 58.8 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 603 | S | 22.1 | Very low | 27.3 | Very low | 113 Ų | 113 | 135 Ų | 135 | 79% | 0.79 | 75% | 0.751 | S | S | * | * | trans | 65.9 | 143.6 | 151.7 | 40.2 | 0 | 0 | 0 | 0 | 119 | ||||
| 604 | S | 23.5 | Very low | 26.7 | Very low | 94 Ų | 94 | 136.2 Ų | 136.2 | 66% | 0.657 | 76% | 0.76 | S | S | * | * | cis | -156.1 | -178.1 | -3.2 | 44.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 605 | H | 27.8 | Very low | 26.2 | Very low | 159 Ų | 159 | 135.9 Ų | 135.9 | 74% | 0.736 | 77% | 0.77 | S | S | * | * | trans | 72.1 | 79 | 168.8 | -62.5 | -65.7 | 0 | 0 | 0 | 119.6 | ||||
| 606 | T | 28.8 | Very low | 25.6 | Very low | 123 Ų | 123 | 136.8 Ų | 136.8 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | 42.6 | 112.2 | 116.8 | 55.1 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 607 | N | 22.7 | Very low | 25.2 | Very low | 165 Ų | 165 | 136.5 Ų | 136.5 | 88% | 0.882 | 78% | 0.782 | S | S | * | * | trans | -41.1 | 142.4 | 141.4 | -76.3 | -44.5 | 0 | 0 | 0 | 111.7 | ||||
| 608 | L | 28.6 | Very low | 24.8 | Very low | 174 Ų | 174 | 137.3 Ų | 137.3 | 91% | 0.911 | 79% | 0.786 | S | S | * | * | trans | -150.9 | 166.2 | 133.1 | -114.4 | 170.1 | 0 | 0 | 0 | 110.3 | ||||
| 609 | D | 26.1 | Very low | 24.6 | Very low | 142 Ų | 142 | 139 Ų | 139 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | trans | -86 | 170 | -153.4 | -141.8 | -51.8 | 0 | 0 | 0 | 114.9 | ||||
| 610 | S | 22.3 | Very low | 24.4 | Very low | 89 Ų | 89 | 135.7 Ų | 135.7 | 62% | 0.622 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -61.2 | 158.4 | 171.8 | 63.2 | 0 | 0 | 0 | 0 | 114.6 | ||
| 611 | R | 23.2 | Very low | 24.5 | Very low | 236 Ų | 236 | 137 Ų | 137 | 89% | 0.891 | 78% | 0.775 | S | S | * | * | trans | 66.1 | 85.4 | 165.5 | -62.1 | 176.6 | 165.5 | -175.1 | -4.2 | 117.4 | ||||
| 612 | T | 29.3 | Very low | 24.3 | Very low | 144 Ų | 144 | 136.6 Ų | 136.6 | 88% | 0.883 | 77% | 0.772 | S | S | * | * | trans | -117.5 | 124.1 | 141.8 | -51 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 613 | V | 23.7 | Very low | 24.4 | Very low | 132 Ų | 132 | 141.6 Ų | 141.6 | 80% | 0.8 | 78% | 0.783 | S | S | * | * | trans | -104.7 | 122.4 | 172.8 | 172.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 614 | I | 24.6 | Very low | 24.5 | Very low | 160 Ų | 160 | 147 Ų | 147 | 82% | 0.821 | 79% | 0.786 | S | S | * | * | trans | -170.4 | 147.7 | 149.6 | -102 | 152.3 | 0 | 0 | 0 | 107.9 | ||||
| 615 | A | 20.4 | Very low | 24.3 | Very low | 85 Ų | 85 | 150.1 Ų | 150.1 | 70% | 0.702 | 80% | 0.795 | S | S | * | * | trans | -97.7 | 174.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 616 | S | 22.5 | Very low | 24.2 | Very low | 107 Ų | 107 | 147.5 Ų | 147.5 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | trans | 71 | 142.6 | -169 | 80.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 617 | L | 25.5 | Very low | 23.9 | Very low | 161 Ų | 161 | 148.4 Ų | 148.4 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | cis | -124.8 | 138.4 | 13.7 | -71.5 | 152.6 | 0 | 0 | 0 | 112.6 | ||||
| 618 | L | 20.9 | Very low | 24.2 | Very low | 148 Ų | 148 | 147.6 Ų | 147.6 | 78% | 0.775 | 79% | 0.794 | S | S | * | * | trans | -80.5 | 149 | 146.9 | -84.3 | 161.7 | 0 | 0 | 0 | 107.6 | ||||
| 619 | P | 27 | Very low | 23.7 | Very low | 105 Ų | 105 | 147.2 Ų | 147.2 | 68% | 0.682 | 79% | 0.793 | S | S | * | * | -139 | 136 | 97.1 | 35.9 | -23.6 | 0 | 0 | 0 | 114.1 | |||||
| 620 | S | 22.5 | Very low | 23.7 | Very low | 100 Ų | 100 | 145.5 Ų | 145.5 | 70% | 0.699 | 79% | 0.792 | S | S | * | * | trans | -70.5 | 136 | 161.3 | -45.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 621 | F | 26.2 | Very low | 23.7 | Very low | 193 Ų | 193 | 147.5 Ų | 147.5 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | trans | -117.7 | 130.5 | 163.2 | -100.2 | -87.3 | 0 | 0 | 0 | 110.4 | ||||
| 622 | L | 21.4 | Very low | 23.9 | Very low | 145 Ų | 145 | 146.3 Ų | 146.3 | 76% | 0.759 | 80% | 0.802 | S | S | * | * | trans | -104.7 | 178 | 176.3 | -74.8 | 170.1 | 0 | 0 | 0 | 110.2 | ||||
| 623 | F | 22.8 | Very low | 23.5 | Very low | 199 Ų | 199 | 148 Ų | 148 | 87% | 0.873 | 80% | 0.8 | S | S | * | * | trans | 75.7 | 149.2 | -177 | -60.1 | -88.5 | 0 | 0 | 0 | 113.9 | ||||
| 624 | R | 25.1 | Very low | 23.4 | Very low | 226 Ų | 226 | 146.4 Ų | 146.4 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | cis | -147.6 | 145.3 | 19.4 | -153.9 | 178 | -169.5 | 173.2 | 2.2 | 112.7 | ||||
| 625 | N | 18.2 | Very low | 23.5 | Very low | 159 Ų | 159 | 146.5 Ų | 146.5 | 85% | 0.85 | 80% | 0.797 | S | S | * | * | trans | -76.9 | 141.9 | 162.2 | -75.7 | -9.2 | 0 | 0 | 0 | 110.5 | ||||
| 626 | S | 26.4 | Very low | 23.4 | Very low | 105 Ų | 105 | 149.3 Ų | 149.3 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | trans | -158.5 | 107.6 | 153.8 | 55.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 627 | T | 21.9 | Very low | 23.6 | Very low | 142 Ų | 142 | 151.2 Ų | 151.2 | 87% | 0.871 | 81% | 0.808 | S | S | * | * | trans | -72.1 | 138.4 | 165 | 45.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 628 | I | 29.2 | Very low | 23.3 | Very low | 148 Ų | 148 | 148.8 Ų | 148.8 | 76% | 0.759 | 80% | 0.804 | S | S | * | * | trans | -131.4 | 118.8 | 163 | -62.6 | -179.7 | 0 | 0 | 0 | 108.2 | ||||
| 629 | N | 19.2 | Very low | 23.4 | Very low | 166 Ų | 166 | 146.5 Ų | 146.5 | 89% | 0.888 | 80% | 0.801 | S | S | * | * | trans | -92.8 | 136.9 | 160.4 | -78.6 | -7.6 | 0 | 0 | 0 | 108.2 | ||||
| 630 | S | 25.5 | Very low | 23.1 | Very low | 105 Ų | 105 | 146.8 Ų | 146.8 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | trans | -150.5 | 106.5 | 160.4 | 58.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 631 | T | 21.3 | Very low | 23.4 | Very low | 131 Ų | 131 | 148.8 Ų | 148.8 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | -66.4 | 146.1 | 165.5 | 44.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 632 | F | 27.3 | Very low | 23.2 | Very low | 211 Ų | 211 | 148.2 Ų | 148.2 | 93% | 0.925 | 81% | 0.81 | S | S | * | * | trans | -141.4 | 144.7 | 156.8 | -120.6 | -84.5 | 0 | 0 | 0 | 109.8 | ||||
| 633 | E | 22.2 | Very low | 23.2 | Very low | 180 Ų | 180 | 146.5 Ų | 146.5 | 84% | 0.841 | 80% | 0.802 | S | S | * | * | trans | -97.9 | 176.6 | -165.6 | -67.3 | 177.2 | 117.5 | 0 | 0 | 113.6 | ||||
| 634 | S | 21.8 | Very low | 23.4 | Very low | 98 Ų | 98 | 144.9 Ų | 144.9 | 69% | 0.685 | 80% | 0.802 | S | S | * | * | trans | -48.7 | 154.1 | 174.8 | 51.7 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 635 | N | 25.5 | Very low | 23.2 | Very low | 163 Ų | 163 | 140.9 Ų | 140.9 | 87% | 0.872 | 79% | 0.793 | S | S | * | * | trans | -149.7 | 126.3 | 133.7 | -97.4 | -47.7 | 0 | 0 | 0 | 110.8 | ||||
| 636 | D | 19.1 | Very low | 23.5 | Very low | 143 Ų | 143 | 144.6 Ų | 144.6 | 77% | 0.765 | 80% | 0.797 | S | S | * | * | trans | -71.6 | 155.9 | 158 | -65 | -72.3 | 0 | 0 | 0 | 110.2 | ||||
| 637 | T | 25.8 | Very low | 23.4 | Very low | 147 Ų | 147 | 144.8 Ų | 144.8 | 90% | 0.902 | 79% | 0.793 | S | S | * | * | -171.4 | 147.7 | 129.6 | 13 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 638 | S | 19.6 | Very low | 23.4 | Very low | 110 Ų | 110 | 143.5 Ų | 143.5 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | trans | -88.1 | 136.9 | 175.2 | 54.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 639 | S | 23.9 | Very low | 23.1 | Very low | 100 Ų | 100 | 144 Ų | 144 | 70% | 0.699 | 79% | 0.789 | S | S | * | * | trans | -166.3 | 135.2 | 140.4 | 45.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 640 | S | 19.5 | Very low | 23.2 | Very low | 112 Ų | 112 | 143.6 Ų | 143.6 | 78% | 0.783 | 78% | 0.782 | S | S | * | * | cis | 71 | 69 | 38.8 | 88.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 641 | V | 28.9 | Very low | 23.1 | Very low | 142 Ų | 142 | 145 Ų | 145 | 86% | 0.861 | 78% | 0.781 | S | S | * | * | trans | -108.4 | 140.9 | 160.6 | 179.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 642 | K | 23.4 | Very low | 23.2 | Very low | 181 Ų | 181 | 148.2 Ų | 148.2 | 79% | 0.787 | 78% | 0.784 | S | S | * | * | trans | -100.2 | 165.5 | -165.9 | -75.5 | -175.9 | 177.8 | -178.7 | 0 | 113 | ||||
| 643 | N | 21.6 | Very low | 22.8 | Very low | 109 Ų | 109 | 143 Ų | 143 | 58% | 0.583 | 78% | 0.775 | S | S | * | * | trans | 49.5 | 124.8 | 150.6 | -64 | 24.7 | 0 | 0 | 0 | 118.9 | E645 | N643-E645 PolarHBondContact ND2-OE2 3.44Š| ||
| 644 | N | 26.1 | Very low | 22.9 | Very low | 165 Ų | 165 | 142.5 Ų | 142.5 | 88% | 0.882 | 77% | 0.772 | S | S | * | * | -141.1 | 117.6 | 108.4 | -98.2 | -34.4 | 0 | 0 | 0 | 109.6 | |||||
| 645 | E | 20.7 | Very low | 22.8 | Very low | 141 Ų | 141 | 142.7 Ų | 142.7 | 66% | 0.659 | 77% | 0.772 | S | S | * | * | trans | -76.2 | 140.1 | 167.1 | -65 | 154.2 | 105.1 | 0 | 0 | 108.5 | N643 V647 | N643-E645 PolarHBondContact ND2-OE2 3.44Å; E645-V647 HydrophobicContact CB-CG2 4.41Å | ||
| 646 | Y | 25.2 | Very low | 22.6 | Very low | 237 Ų | 237 | 142.5 Ų | 142.5 | 93% | 0.929 | 77% | 0.77 | S | S | * | * | trans | -139.5 | 145.7 | 151.7 | -115.6 | -84.6 | 0 | 0 | 0 | 109.4 | ||||
| 647 | V | 23.2 | Very low | 22.6 | Very low | 109 Ų | 109 | 139.8 Ų | 139.8 | 66% | 0.661 | 76% | 0.762 | S | S | * | * | trans | -134 | 144.8 | -145.6 | 168.2 | 0 | 0 | 0 | 0 | 110.7 | E645 | E645-V647 HydrophobicContact CB-CG2 4.41Š| ||
| 648 | V | 22.7 | Very low | 22.3 | Very low | 115 Ų | 115 | 138.6 Ų | 138.6 | 70% | 0.697 | 76% | 0.755 | S | S | * | * | trans | 62.6 | 111.3 | 167.1 | 166.8 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 649 | N | 23.5 | Very low | 22.4 | Very low | 159 Ų | 159 | 140.8 Ų | 140.8 | 85% | 0.85 | 76% | 0.758 | S | S | * | * | -152 | 120.3 | 101.5 | -118 | -21 | 0 | 0 | 0 | 111.9 | |||||
| 650 | E | 19.7 | Very low | 22.5 | Very low | 157 Ų | 157 | 142.1 Ų | 142.1 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | trans | -92.7 | -176.6 | 168.7 | -62.7 | -176.6 | 125.9 | 0 | 0 | 110.1 | ||||
| 651 | N | 23.2 | Very low | 22.5 | Very low | 134 Ų | 134 | 145.4 Ų | 145.4 | 72% | 0.717 | 77% | 0.77 | S | S | * | * | trans | 70.1 | 101.3 | 172.7 | -50.8 | -61.6 | 0 | 0 | 0 | 116.2 | ||||
| 652 | F | 24 | Very low | 22.1 | Very low | 199 Ų | 199 | 142.7 Ų | 142.7 | 87% | 0.873 | 76% | 0.757 | S | S | * | * | -160.3 | 110.9 | 97.8 | -115.3 | -75.4 | 0 | 0 | 0 | 111.7 | |||||
| 653 | S | 19.9 | Very low | 22.2 | Very low | 103 Ų | 103 | 139.8 Ų | 139.8 | 72% | 0.72 | 76% | 0.757 | S | S | * | * | trans | -109.4 | 112.6 | 172.7 | 45.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 654 | H | 23.8 | Very low | 22.2 | Very low | 168 Ų | 168 | 144.5 Ų | 144.5 | 78% | 0.778 | 77% | 0.767 | S | S | * | * | trans | -152 | 91.9 | 170.3 | -122.3 | -82.2 | 0 | 0 | 0 | 114.3 | ||||
| 655 | C | 20.1 | Very low | 22.2 | Very low | 102 Ų | 102 | 144.8 Ų | 144.8 | 69% | 0.689 | 77% | 0.767 | S | S | * | * | 20.4 | 144.1 | 129.5 | -57.5 | 0 | 0 | 0 | 0 | 122 | |||||
| 656 | L | 20.4 | Very low | 22.2 | Very low | 160 Ų | 160 | 144.3 Ų | 144.3 | 84% | 0.838 | 77% | 0.767 | S | S | * | * | trans | 73.8 | 131 | 160.8 | -53.6 | 159.5 | 0 | 0 | 0 | 115.4 | ||||
| 657 | S | 19.2 | Very low | 22.2 | Very low | 86 Ų | 86 | 140.8 Ų | 140.8 | 60% | 0.601 | 76% | 0.763 | S | S | * | * | cis | 101.6 | 125.5 | 16.5 | 83.6 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 658 | T | 20.7 | Very low | 22.1 | Very low | 122 Ų | 122 | 145.6 Ų | 145.6 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | trans | 80.4 | 148.2 | 163.7 | 73.1 | 0 | 0 | 0 | 0 | 120 | ||||
| 659 | N | 19.9 | Very low | 22.1 | Very low | 156 Ų | 156 | 149.3 Ų | 149.3 | 83% | 0.834 | 78% | 0.779 | S | S | * | * | trans | 72.8 | 106.2 | 159.1 | -59.3 | -15.9 | 0 | 0 | 0 | 120.5 | ||||
| 660 | S | 26.9 | Very low | 22.2 | Very low | 127 Ų | 127 | 148.6 Ų | 148.6 | 89% | 0.888 | 77% | 0.774 | S | S | * | * | trans | -140.5 | 122.6 | 142.3 | 55.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 661 | E | 19.3 | Very low | 23.2 | Very low | 182 Ų | 182 | 146.4 Ų | 146.4 | 85% | 0.85 | 77% | 0.773 | S | S | * | * | trans | -147.6 | 142.1 | -179.3 | -159 | -167.1 | -138.2 | 0 | 0 | 109.3 | ||||
| 662 | S | 21.2 | Very low | 24.3 | Very low | 84 Ų | 84 | 144.9 Ų | 144.9 | 59% | 0.587 | 77% | 0.77 | S | S | * | * | trans | 63.4 | 166.3 | -176.8 | -70.9 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 663 | P | 25 | Very low | 24.2 | Very low | 121 Ų | 121 | 142.9 Ų | 142.9 | 79% | 0.786 | 77% | 0.768 | S | S | * | * | cis | -91 | 161.4 | 3.4 | 39.8 | -36.3 | 0 | 0 | 0 | 113.4 | ||||
| 664 | R | 20.9 | Very low | 24.4 | Very low | 207 Ų | 207 | 142.2 Ų | 142.2 | 78% | 0.781 | 76% | 0.756 | S | S | * | * | cis | 73.1 | 95.6 | 37.2 | -66.5 | -169.2 | 178.1 | -143.2 | -0.8 | 115.5 | ||||
| 665 | I | 26.9 | Very low | 24.4 | Very low | 172 Ų | 172 | 137.7 Ų | 137.7 | 88% | 0.882 | 74% | 0.74 | S | S | * | * | trans | -118 | 143.1 | 155.6 | -63.9 | 178.2 | 0 | 0 | 0 | 107.4 | ||||
| 666 | I | 19.6 | Very low | 24.6 | Very low | 131 Ų | 131 | 135.1 Ų | 135.1 | 67% | 0.672 | 72% | 0.719 | S | S | * | * | trans | -126.7 | 128.1 | -173.3 | -59.6 | 170.3 | 0 | 0 | 0 | 109.2 | ||||
| 667 | I | 25.5 | Very low | 24.8 | Very low | 163 Ų | 163 | 131.9 Ų | 131.9 | 84% | 0.836 | 70% | 0.703 | S | S | * | * | trans | -130.7 | 145.1 | 154.6 | -61.7 | -177.1 | 0 | 0 | 0 | 106.8 | ||||
| 668 | R | 21.3 | Very low | 25 | Very low | 210 Ų | 210 | 134.6 Ų | 134.6 | 79% | 0.792 | 71% | 0.707 | S | S | * | * | trans | -105.9 | 143.8 | -179 | -67.2 | 173.6 | 169.9 | 179 | -5.2 | 110.6 | ||||
| 669 | E | 22.8 | Very low | 25.2 | Very low | 193 Ų | 193 | 136.6 Ų | 136.6 | 90% | 0.902 | 71% | 0.708 | S | S | * | * | trans | -134.1 | 139.7 | 150.3 | -68.5 | -174.8 | 160.8 | 0 | 0 | 107.7 | ||||
| 670 | I | 25 | Very low | 25.5 | Very low | 144 Ų | 144 | 135 Ų | 135 | 74% | 0.738 | 70% | 0.696 | S | S | * | * | trans | -139.6 | 150.3 | -177.8 | -83.8 | -176.9 | 0 | 0 | 0 | 108.6 | ||||
| 671 | P | 42.4 | Very low | 25.4 | Very low | 110 Ų | 110 | 137.1 Ų | 137.1 | 71% | 0.714 | 69% | 0.689 | S | S | * | * | trans | -111.7 | -142.4 | -158.4 | 43.5 | -28.7 | 0 | 0 | 0 | 109.8 | ||||
| 672 | P | 45.2 | Very low | 25.9 | Very low | 103 Ų | 103 | 136.8 Ų | 136.8 | 67% | 0.669 | 69% | 0.692 | S | S | * | * | cis | -135.3 | 171 | -16.9 | 38.1 | -20.5 | 0 | 0 | 0 | 116.5 | ||||
| 673 | L | 23.4 | Very low | 26 | Very low | 157 Ų | 157 | 138.6 Ų | 138.6 | 82% | 0.822 | 70% | 0.695 | S | S | * | * | trans | -150.9 | 113.7 | 156.8 | -71.7 | 179.4 | 0 | 0 | 0 | 113.7 | ||||
| 674 | I | 23.3 | Very low | 26 | Very low | 89 Ų | 89 | 138.4 Ų | 138.4 | 46% | 0.456 | 70% | 0.695 | S | S | . | * | 59.2 | 137.1 | 120.7 | -79.6 | 122.5 | 0 | 0 | 0 | 124.3 | T1257 P1259 | I674-T1257 WeakPolarHBondContact CD1-O 3.39Å; I674-T1257 WeakPolarHBondContact CG1-O 3.43Å; I674-P1259 WeakPolarHBondContact CG2-O 3.3Å | |||
| 675 | T | 24.1 | Very low | 26.1 | Very low | 72 Ų | 72 | 135.8 Ų | 135.8 | 44% | 0.442 | 69% | 0.69 | S | S | . | * | cis | -174.2 | -88.4 | -31.6 | 20.2 | 0 | 0 | 0 | 0 | 118.3 | E1258 P1259 P1260 | T675-E1258 HydrophobicContact CG2-CG 3.89Å; T675-E1258 WeakPolarHBondContact OG1-CA 3.4Å; T675-P1259 CarbonylContact C-O 3.59Å; T675-P1259 VanDerWaalsContact CA-O 3.26Å; T675-P1259 WeakPolarHBondContact CA-O 3.2Å; T675-P1259 WeakPolarHBondContact CB-O 3.38Å; T675-P1259 PolarHBondContact N-O 3.23Å; T675-P1259 VanDerWaalsContact OG1-CA 3.28Å; T675-P1259 WeakPolarHBondContact OG1-CA 3.3Å; T675-P1259 PolarHBondContact OG1-O 3.12Å; T675-P1260 CarbonylContact C-O 3.59Å | ||
| 676 | N | 23.1 | Very low | 26.1 | Very low | 49 Ų | 49 | 136.6 Ų | 136.6 | 26% | 0.262 | 69% | 0.687 | S | S | . | * | trans | -137.7 | 159.5 | -151.5 | -59.5 | 4 | 0 | 0 | 0 | 118.9 | E1258 P1259 P1260 | N676-E1258 PolarHBondContact ND2-OE1 2.81Å; N676-P1259 HydrophobicContact CB-CB 4.47Å; N676-P1259 PolarHBondContact N-O 2.87Å; N676-P1259 CarbonylContact O-C 3.54Å; N676-P1259 VanDerWaalsContact O-C 3.24Å; N676-P1260 VanDerWaalsContact C-C 3.48Å; N676-P1260 CarbonylContact C-O 3.33Å; N676-P1260 PolarHBondContact N-O 3.32Å; N676-P1260 CarbonylContact O-C 3.57Å; N676-P1260 WeakPolarHBondContact O-CA 3.1Å; N676-P1260 WeakPolarHBondContact O-CB 3.29Å; N676-P1260 VanDerWaalsContact O-CG 3.25Å; N676-P1260 WeakPolarHBondContact O-CG 3.39Å | ||
| 677 | D | 25.6 | Very low | 26.1 | Very low | 92 Ų | 92 | 140.5 Ų | 140.5 | 49% | 0.492 | 70% | 0.695 | S | S | . | * | trans | 85.4 | 105.8 | 147 | -62.4 | -38.2 | 0 | 0 | 0 | 124.7 | V1261 | D677-V1261 VanDerWaalsContact N-CG2 3.35Å; D677-V1261 WeakPolarHBondContact O-CG2 3.4Å | ||
| 678 | M | 22.9 | Very low | 26.1 | Very low | 142 Ų | 142 | 141 Ų | 141 | 70% | 0.7 | 69% | 0.691 | S | S | * | * | trans | 59.7 | 164.3 | 152.9 | -47.5 | -55.9 | -179.3 | 0 | 0 | 118.5 | V1261 | M678-V1261 WeakPolarHBondContact O-CG2 3.44Š| ||
| 679 | E | 24.8 | Very low | 26.2 | Very low | 165 Ų | 165 | 137.1 Ų | 137.1 | 77% | 0.771 | 69% | 0.691 | S | S | * | * | cis | -156.6 | -166.9 | -1.2 | -140.7 | 175 | 178.8 | 0 | 0 | 112.1 | ||||
| 680 | E | 27.6 | Very low | 26.2 | Very low | 123 Ų | 123 | 137.4 Ų | 137.4 | 58% | 0.575 | 69% | 0.685 | S | S | * | * | trans | 66.3 | 103.4 | 151.2 | -71.7 | -89.4 | 78.6 | 0 | 0 | 121.8 | ||||
| 681 | K | 24.5 | Very low | 26 | Very low | 170 Ų | 170 | 137.7 Ų | 137.7 | 74% | 0.739 | 69% | 0.688 | S | S | * | * | 14 | 124.7 | 125.1 | -46.5 | 179.8 | -160.5 | 98.7 | 0 | 118.5 | |||||
| 682 | L | 29.7 | Very low | 25 | Very low | 175 Ų | 175 | 142.5 Ų | 142.5 | 92% | 0.916 | 70% | 0.698 | S | S | * | * | trans | -127.9 | 92.1 | 146.1 | -85.3 | 172.4 | 0 | 0 | 0 | 111 | C684 | L682-C684 PolarHBondContact O-N 3.46Š| ||
| 683 | D | 22.1 | Very low | 23.9 | Very low | 123 Ų | 123 | 144.2 Ų | 144.2 | 66% | 0.658 | 70% | 0.702 | S | S | * | * | trans | -85.1 | 101 | 170.8 | -170.7 | 5.8 | 0 | 0 | 0 | 108.8 | K685 | D683-K685 IonicContact OD1-NZ 3.28Å; D683-K685 PolarHBondContact OD1-NZ 3.14Å; D683-K685 IonicContact OD2-NZ 2.8Å; D683-K685 PolarHBondContact OD2-NZ 2.97Å | ||
| 684 | C | 25.8 | Very low | 24.2 | Very low | 116 Ų | 116 | 141.1 Ų | 141.1 | 78% | 0.784 | 69% | 0.691 | S | S | * | * | trans | -129.9 | 83.6 | -178.8 | -149.1 | 0 | 0 | 0 | 0 | 111.6 | L682 | L682-C684 PolarHBondContact O-N 3.46Š| ||
| 685 | K | 23.2 | Very low | 24.2 | Very low | 153 Ų | 153 | 143.1 Ų | 143.1 | 67% | 0.665 | 71% | 0.707 | S | S | * | * | trans | -74.5 | 123.8 | 175.2 | -63.4 | 160.2 | -173.5 | 116.7 | 0 | 110 | D683 | D683-K685 IonicContact OD1-NZ 3.28Å; D683-K685 PolarHBondContact OD1-NZ 3.14Å; D683-K685 IonicContact OD2-NZ 2.8Å; D683-K685 PolarHBondContact OD2-NZ 2.97Å | ||
| 686 | F | 25.5 | Very low | 24.3 | Very low | 189 Ų | 189 | 146.5 Ų | 146.5 | 83% | 0.829 | 72% | 0.723 | S | S | * | * | trans | -137.9 | 110.7 | 152.5 | -102.8 | -74.5 | 0 | 0 | 0 | 112.2 | ||||
| 687 | Y | 20.3 | Very low | 24.4 | Very low | 213 Ų | 213 | 153.7 Ų | 153.7 | 84% | 0.835 | 75% | 0.748 | S | S | * | * | trans | -76.6 | 124 | 161.4 | -88 | -99.5 | 0 | 0 | 0 | 109 | ||||
| 688 | K | 26.6 | Very low | 24.3 | Very low | 174 Ų | 174 | 151.8 Ų | 151.8 | 76% | 0.757 | 74% | 0.739 | S | S | * | * | trans | -138.3 | 96.5 | 149.5 | -85.2 | -165.8 | 174.8 | 178.5 | 0 | 110.1 | Y690 | K688-Y690 HydrophobicContact CD-CE2 4.4Š| ||
| 689 | T | 21.9 | Very low | 24.4 | Very low | 127 Ų | 127 | 150.4 Ų | 150.4 | 78% | 0.779 | 73% | 0.734 | S | S | * | * | trans | -74.1 | 121.2 | 156.7 | 44.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 690 | Y | 23.8 | Very low | 24.2 | Very low | 200 Ų | 200 | 145.6 Ų | 145.6 | 78% | 0.784 | 72% | 0.718 | S | S | * | * | trans | -128.6 | 113.7 | 164.1 | -102.1 | -89.9 | 0 | 0 | 0 | 108.3 | K688 | K688-Y690 HydrophobicContact CD-CE2 4.4Š| ||
| 691 | D | 20.2 | Very low | 23.9 | Very low | 150 Ų | 150 | 142.4 Ų | 142.4 | 80% | 0.802 | 71% | 0.709 | S | S | * | * | trans | -72.8 | 132.2 | 158 | -79.8 | -55.1 | 0 | 0 | 0 | 108.2 | ||||
| 692 | F | 21.8 | Very low | 23.8 | Very low | 211 Ų | 211 | 138.2 Ų | 138.2 | 93% | 0.925 | 70% | 0.701 | S | S | * | * | -164.3 | 163.1 | 124.7 | -112.9 | -76.4 | 0 | 0 | 0 | 111.4 | |||||
| 693 | N | 21.8 | Very low | 23.5 | Very low | 139 Ų | 139 | 134.8 Ų | 134.8 | 74% | 0.743 | 69% | 0.689 | S | S | * | * | trans | -145.4 | 156.5 | -170.1 | -163.6 | 23.4 | 0 | 0 | 0 | 105.3 | ||||
| 694 | P | 30 | Very low | 23.5 | Very low | 92 Ų | 92 | 134.8 Ų | 134.8 | 60% | 0.597 | 69% | 0.689 | S | S | * | * | cis | -137.7 | -161.4 | 6.1 | 42.5 | -22.8 | 0 | 0 | 0 | 114.1 | ||||
| 695 | T | 23.6 | Very low | 23.6 | Very low | 130 Ų | 130 | 135 Ų | 135 | 80% | 0.798 | 69% | 0.687 | S | S | * | * | trans | 62.4 | 103.3 | 155.4 | 49.7 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 696 | D | 24.5 | Very low | 23.5 | Very low | 143 Ų | 143 | 135 Ų | 135 | 77% | 0.765 | 70% | 0.695 | S | S | * | * | trans | -131.1 | 146.1 | 147.9 | -126.8 | -23.8 | 0 | 0 | 0 | 112 | ||||
| 697 | Y | 26.7 | Very low | 23.5 | Very low | 201 Ų | 201 | 134.6 Ų | 134.6 | 79% | 0.788 | 70% | 0.7 | S | S | * | * | trans | 34.2 | 130.1 | 175.1 | -76.1 | -89 | 0 | 0 | 0 | 123.2 | ||||
| 698 | V | 23.3 | Very low | 23.6 | Very low | 52 Ų | 52 | 129.4 Ų | 129.4 | 32% | 0.315 | 69% | 0.69 | S | S | . | * | trans | -122.4 | 114.3 | 178.3 | -168.3 | 0 | 0 | 0 | 0 | 111.7 | V1214 G1215 R1216 | V698-V1214 HydrophobicContact CG1-CB 4.1Å; V698-V1214 HydrophobicContact CG1-CG1 3.82Å; V698-G1215 VanDerWaalsContact CG1-C 3.43Å; V698-G1215 WeakPolarHBondContact CG1-O 3.45Å; V698-R1216 HydrophobicContact CB-CB 4.16Å; V698-R1216 HydrophobicContact CB-CG 4.41Å; V698-R1216 HydrophobicContact CG1-CB 3.63Å; V698-R1216 HydrophobicContact CG1-CG 3.9Å; V698-R1216 PolarHBondContact O-NE 2.87Å; V698-R1216 PolarHBondContact O-NH2 2.83Å | ||
| 699 | I | 23.9 | Very low | 23.5 | Very low | 113 Ų | 113 | 127.6 Ų | 127.6 | 58% | 0.579 | 69% | 0.689 | S | S | * | * | trans | -101.6 | 92.7 | -178.2 | -56.2 | 178 | 0 | 0 | 0 | 112 | S701 V1214 | I699-S701 PolarHBondContact O-N 3.39Å; I699-V1214 CarbonylContact C-O 3.58Å; I699-V1214 HydrophobicContact CB-CG2 4.07Å; I699-V1214 WeakPolarHBondContact O-CA 3.08Å; I699-V1214 VanDerWaalsContact O-CB 3.24Å; I699-V1214 WeakPolarHBondContact O-CB 3.35Å; I699-V1214 WeakPolarHBondContact O-CG2 3.34Å; I699-V1214 PolarHBondContact O-N 2.99Å | ||
| 700 | S | 21.6 | Very low | 23.4 | Very low | 64 Ų | 64 | 129 Ų | 129 | 45% | 0.448 | 69% | 0.692 | S | S | . | * | B | Isolated β-bridge | trans | 20.4 | 82.9 | 150.4 | 50.6 | 0 | 0 | 0 | 0 | 119.2 | ||
| 701 | S | 21 | Very low | 23.4 | Very low | 55 Ų | 55 | 130.4 Ų | 130.4 | 39% | 0.385 | 70% | 0.696 | S | S | . | * | trans | -69.6 | 137.5 | 135 | 61.7 | 0 | 0 | 0 | 0 | 109 | I699 V1214 | I699-S701 PolarHBondContact O-N 3.39Å; S701-V1214 PolarHBondContact N-O 3.07Å; S701-V1214 PolarHBondContact OG-O 2.92Å; S701-V1214 VanDerWaalsContact OG-O 3.14Å | ||
| 702 | S | 23.1 | Very low | 23.5 | Very low | 82 Ų | 82 | 132.9 Ų | 132.9 | 57% | 0.573 | 70% | 0.7 | S | S | * | * | cis | -150.3 | 165 | -3.8 | -78.9 | 0 | 0 | 0 | 0 | 107.6 | R1213 | S702-R1213 PolarHBondContact OG-NH1 3.37Š| ||
| 703 | P | 23.1 | Very low | 23.6 | Very low | 103 Ų | 103 | 128.4 Ų | 128.4 | 67% | 0.669 | 69% | 0.692 | S | S | * | * | -137.6 | 149.3 | 99.5 | 37.9 | -28.7 | 0 | 0 | 0 | 113.1 | R1213 | P703-R1213 VanDerWaalsContact C-NH1 3.29Å; P703-R1213 PolarHBondContact O-NH1 3.3Å; P703-R1213 PolarHBondContact O-NH2 3.12Å | |||
| 704 | N | 22.8 | Very low | 23.7 | Very low | 123 Ų | 123 | 130 Ų | 130 | 66% | 0.658 | 70% | 0.7 | S | S | * | * | trans | -167.5 | 143.9 | 137 | -108.2 | 4.2 | 0 | 0 | 0 | 109.4 | ||||
| 705 | T | 27.1 | Very low | 23.4 | Very low | 121 Ų | 121 | 134.9 Ų | 134.9 | 74% | 0.742 | 71% | 0.711 | S | S | * | * | trans | 44.5 | 76.8 | 157.5 | 60.5 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 706 | N | 21.1 | Very low | 23.4 | Very low | 152 Ų | 152 | 133.7 Ų | 133.7 | 81% | 0.813 | 71% | 0.706 | S | S | * | * | -63.1 | 127.3 | 129.6 | -88 | -9.2 | 0 | 0 | 0 | 106.3 | |||||
| 707 | L | 24.9 | Very low | 23.4 | Very low | 181 Ų | 181 | 132.8 Ų | 132.8 | 95% | 0.948 | 71% | 0.71 | S | S | * | * | trans | -67.7 | 133.8 | 160.9 | -106.1 | 158.9 | 0 | 0 | 0 | 107.6 | ||||
| 708 | V | 23.4 | Very low | 23.4 | Very low | 104 Ų | 104 | 131.8 Ų | 131.8 | 63% | 0.63 | 71% | 0.71 | S | S | * | * | trans | -114.6 | 140.9 | -168.6 | 160.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 709 | N | 24.2 | Very low | 23.6 | Very low | 137 Ų | 137 | 140.2 Ų | 140.2 | 73% | 0.733 | 74% | 0.738 | S | S | * | * | trans | 70.1 | 127.3 | 171 | -62.7 | -18.2 | 0 | 0 | 0 | 118.7 | ||||
| 710 | D | 19.6 | Very low | 23.6 | Very low | 155 Ų | 155 | 140.4 Ų | 140.4 | 83% | 0.829 | 74% | 0.744 | S | S | * | * | trans | -56.6 | 149.6 | 146.4 | -55.8 | -82.9 | 0 | 0 | 0 | 111.1 | ||||
| 711 | R | 23.2 | Very low | 23.8 | Very low | 231 Ų | 231 | 143 Ų | 143 | 87% | 0.872 | 75% | 0.753 | S | S | * | * | trans | -161.3 | 86.8 | 150.8 | -112.9 | 172.8 | -157.8 | -149.5 | 5 | 113 | ||||
| 712 | F | 22.2 | Very low | 24 | Very low | 202 Ų | 202 | 148.7 Ų | 148.7 | 89% | 0.886 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -138.7 | 135.1 | 130.2 | -98.9 | -80.1 | 0 | 0 | 0 | 108 | L714 | F712-L714 PolarHBondContact O-N 2.81Š|
| 713 | P | 24.7 | Very low | 24.5 | Very low | 116 Ų | 116 | 151.4 Ų | 151.4 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | trans | -84.4 | 105.7 | -167.5 | 31.7 | -34.2 | 0 | 0 | 0 | 112.4 | K715 | P713-K715 PolarHBondContact O-N 2.97Š| ||
| 714 | L | 22.8 | Very low | 24.5 | Very low | 174 Ų | 174 | 152.5 Ų | 152.5 | 91% | 0.911 | 78% | 0.784 | S | S | * | * | trans | -72.4 | 90.2 | 162.1 | -76.3 | 171.1 | 0 | 0 | 0 | 110.1 | F712 | F712-L714 PolarHBondContact O-N 2.81Š| ||
| 715 | K | 23.9 | Very low | 24.8 | Very low | 194 Ų | 194 | 156.6 Ų | 156.6 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | trans | -64.4 | 144.6 | 159.5 | -89.6 | -175.7 | 175.8 | 177 | 0 | 109.2 | P713 | P713-K715 PolarHBondContact O-N 2.97Š| ||
| 716 | P | 24.8 | Very low | 24.8 | Very low | 105 Ų | 105 | 158.5 Ų | 158.5 | 68% | 0.682 | 80% | 0.796 | S | S | * | * | trans | -87.3 | 132.3 | -152.8 | 31.6 | -36.1 | 0 | 0 | 0 | 114.3 | K718 | P716-K718 VanDerWaalsContact C-N 3.33Å; P716-K718 PolarHBondContact O-N 2.97Å | ||
| 717 | S | 25.2 | Very low | 25 | Very low | 123 Ų | 123 | 158 Ų | 158 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | trans | -69.4 | 90.2 | 157.3 | 45.9 | 0 | 0 | 0 | 0 | 110.1 | Y719 | S717-Y719 PolarHBondContact O-N 3.37Š| ||
| 718 | K | 25.4 | Very low | 25.3 | Very low | 181 Ų | 181 | 158.1 Ų | 158.1 | 79% | 0.787 | 79% | 0.785 | S | S | * | * | trans | -64.3 | 95.5 | 164.2 | -70.1 | -179.4 | -179.7 | 177.6 | 0 | 109.5 | P716 | P716-K718 VanDerWaalsContact C-N 3.33Å; P716-K718 PolarHBondContact O-N 2.97Å | ||
| 719 | Y | 27.8 | Very low | 25.5 | Very low | 229 Ų | 229 | 163.5 Ų | 163.5 | 90% | 0.898 | 79% | 0.794 | S | S | * | * | trans | -158.4 | 146.9 | 135.5 | -115.1 | -74.9 | 0 | 0 | 0 | 111.1 | S717 | S717-Y719 PolarHBondContact O-N 3.37Š| ||
| 720 | V | 23.7 | Very low | 26 | Very low | 117 Ų | 117 | 167.4 Ų | 167.4 | 71% | 0.709 | 80% | 0.804 | S | S | * | * | trans | -139.3 | 147.3 | -160.2 | 167.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 721 | N | 25.2 | Very low | 26.6 | Very low | 117 Ų | 117 | 165 Ų | 165 | 63% | 0.626 | 80% | 0.799 | S | S | * | * | trans | 103.2 | 112.4 | 166 | -70.1 | -48.5 | 0 | 0 | 0 | 120.1 | ||||
| 722 | K | 27 | Very low | 27.4 | Very low | 176 Ų | 176 | 165.4 Ų | 165.4 | 77% | 0.765 | 80% | 0.801 | S | S | * | * | 60.7 | 103.6 | 121.6 | -58.9 | 165.4 | -176.2 | 155 | 0 | 120.4 | |||||
| 723 | T | 32.4 | Very low | 27.8 | Very low | 139 Ų | 139 | 163.3 Ų | 163.3 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | -171.6 | 117.4 | 111.3 | 30.2 | 0 | 0 | 0 | 0 | 107 | |||||
| 724 | N | 23.9 | Very low | 28.1 | Very low | 125 Ų | 125 | 163.2 Ų | 163.2 | 67% | 0.668 | 80% | 0.795 | S | S | * | * | 71.7 | 98.5 | 51 | -160.3 | 24.4 | 0 | 0 | 0 | 114.2 | |||||
| 725 | R | 27.5 | Very low | 28.8 | Very low | 210 Ų | 210 | 165 Ų | 165 | 79% | 0.792 | 80% | 0.795 | S | S | * | * | trans | 54.5 | 117.8 | 162.4 | -62 | 162.6 | -169.4 | -169.9 | 1.1 | 118.2 | ||||
| 726 | N | 28.9 | Very low | 29.1 | Very low | 161 Ų | 161 | 162.9 Ų | 162.9 | 86% | 0.861 | 79% | 0.792 | S | S | * | * | -168.3 | 167.1 | 93.8 | -107.2 | -40.3 | 0 | 0 | 0 | 115.7 | |||||
| 727 | I | 24 | Very low | 29.6 | Very low | 142 Ų | 142 | 164 Ų | 164 | 73% | 0.728 | 80% | 0.801 | S | S | * | * | trans | -95.8 | 139.7 | 177.6 | -61.6 | 157.8 | 0 | 0 | 0 | 109.5 | ||||
| 728 | K | 30.6 | Very low | 30 | Very low | 182 Ų | 182 | 162 Ų | 162 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | trans | -154.8 | 144.1 | 141.4 | -112 | 157.8 | -173.6 | 177.7 | 0 | 111.4 | E930 | K728-E930 IonicContact NZ-OE1 2.7Å; K728-E930 PolarHBondContact NZ-OE1 3.19Å | ||
| 729 | R | 29.1 | Very low | 30.6 | Very low | 217 Ų | 217 | 160.2 Ų | 160.2 | 82% | 0.819 | 79% | 0.792 | S | S | * | * | trans | -91.5 | 150.8 | -173 | -60.7 | 169.8 | 176.7 | 143.3 | -4.2 | 110.9 | ||||
| 730 | K | 35.1 | Very low | 31.2 | Very low | 219 Ų | 219 | 158.4 Ų | 158.4 | 95% | 0.952 | 79% | 0.788 | S | S | * | * | trans | -132 | 77.8 | 156.2 | -77.1 | -170.8 | 178.2 | 177.2 | 0 | 111 | ||||
| 731 | S | 32.2 | Very low | 32 | Very low | 104 Ų | 104 | 158.7 Ų | 158.7 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | trans | -103.6 | 99.3 | 170.5 | 53.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 732 | R | 38.2 | Very low | 32.5 | Very low | 241 Ų | 241 | 162 Ų | 162 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | trans | -89.7 | 117.3 | 176.3 | -86.7 | -175.6 | 170.8 | 170.9 | -3.8 | 111.5 | ||||
| 733 | I | 30.7 | Very low | 33.6 | Very low | 158 Ų | 158 | 156.9 Ų | 156.9 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | trans | 53.2 | 112.8 | 144.7 | -53.8 | 178.6 | 0 | 0 | 0 | 117.6 | ||||
| 734 | T | 31.1 | Very low | 34.4 | Very low | 114 Ų | 114 | 154.7 Ų | 154.7 | 70% | 0.699 | 77% | 0.766 | S | S | * | * | trans | -75.3 | 146.5 | 169.5 | 42.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 735 | K | 38.5 | Very low | 35.5 | Very low | 211 Ų | 211 | 158.6 Ų | 158.6 | 92% | 0.917 | 77% | 0.772 | S | S | * | * | trans | -113.2 | 134.3 | 143 | -79.5 | -172.8 | 174.7 | -179.9 | 0 | 108.7 | ||||
| 736 | L | 30.6 | Very low | 36.9 | Very low | 149 Ų | 149 | 156.1 Ų | 156.1 | 78% | 0.78 | 76% | 0.764 | S | S | * | * | trans | -82.6 | 132.2 | -171.8 | -88.9 | 62.7 | 0 | 0 | 0 | 111.6 | ||||
| 737 | C | 34.1 | Very low | 38.2 | Very low | 128 Ų | 128 | 153.7 Ų | 153.7 | 87% | 0.865 | 75% | 0.749 | S | S | * | * | trans | -164.2 | 62.1 | 148.3 | -135.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 738 | S | 34.6 | Very low | 39.7 | Very low | 82 Ų | 82 | 152.5 Ų | 152.5 | 57% | 0.573 | 74% | 0.744 | S | S | * | * | trans | -117.7 | 37.3 | -166.1 | 57 | 0 | 0 | 0 | 0 | 115.8 | K740 | S738-K740 PolarHBondContact O-N 3.14Š| ||
| 739 | T | 36.4 | Very low | 40.8 | Very low | 144 Ų | 144 | 146.8 Ų | 146.8 | 88% | 0.883 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | 44.7 | 176.5 | 44.7 | 0 | 0 | 0 | 0 | 114.5 | ||
| 740 | K | 40.8 | Very low | 41.9 | Very low | 190 Ų | 190 | 143.1 Ų | 143.1 | 83% | 0.826 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -144.2 | -2.1 | 176.2 | -110.2 | 170.1 | -176.2 | 174.2 | 0 | 116.7 | S738 | S738-K740 PolarHBondContact O-N 3.14Š|
| 741 | I | 40.2 | Very low | 42.3 | Very low | 124 Ų | 124 | 140.1 Ų | 140.1 | 64% | 0.636 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -93.3 | -12.4 | -173.1 | -68.9 | 177 | 0 | 0 | 0 | 114.2 | S743 | I741-S743 VanDerWaalsContact C-N 3.33Å; I741-S743 PolarHBondContact O-N 2.87Å |
| 742 | F | 36.8 | Very low | 42.8 | Very low | 186 Ų | 186 | 144.1 Ų | 144.1 | 82% | 0.816 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -73.7 | -10.6 | -174.8 | -93.7 | -81.2 | 0 | 0 | 0 | 116.5 | ||
| 743 | S | 50.9 | Low | 43 | Very low | 68 Ų | 68 | 141.2 Ų | 141.2 | 48% | 0.476 | 71% | 0.706 | S | S | . | * | H | α-helix | trans | -73.9 | -42.1 | 179.5 | 56 | 0 | 0 | 0 | 0 | 113.6 | I741 Y746 I747 | I741-S743 VanDerWaalsContact C-N 3.33Å; I741-S743 PolarHBondContact O-N 2.87Å; S743-Y746 PolarHBondContact O-N 2.79Å; S743-I747 WeakPolarHBondContact O-CG1 3.46Å; S743-I747 PolarHBondContact O-N 3.02Å; S743-I747 VanDerWaalsContact O-N 3.11Å |
| 744 | V | 48.8 | Very low | 43.3 | Very low | 93 Ų | 93 | 137.9 Ų | 137.9 | 56% | 0.564 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -68.7 | -43.1 | -170.2 | -177.9 | 0 | 0 | 0 | 0 | 112.1 | Y746 I747 L748 | V744-Y746 VanDerWaalsContact C-N 3.33Å; V744-Y746 PolarHBondContact O-N 3.36Å; V744-I747 PolarHBondContact O-N 2.88Å; V744-L748 HydrophobicContact CG1-CD1 4.36Å; V744-L748 PolarHBondContact O-N 3.43Å |
| 745 | R | 46.6 | Very low | 43.4 | Very low | 207 Ų | 207 | 140.1 Ų | 140.1 | 78% | 0.781 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -65.4 | -35.5 | 175.6 | -75.9 | -173.3 | 175.1 | -179.6 | -0.8 | 112.3 | A749 | R745-A749 VanDerWaalsContact O-CB 3.3Å; R745-A749 WeakPolarHBondContact O-CB 3.36Å; R745-A749 PolarHBondContact O-N 3.23Å |
| 746 | Y | 57.1 | Low | 43.3 | Very low | 159 Ų | 159 | 134.5 Ų | 134.5 | 62% | 0.624 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -65.4 | -42.1 | 177.4 | -173.5 | -101.2 | 0 | 0 | 0 | 112.2 | S743 V744 A749 K750 | S743-Y746 PolarHBondContact O-N 2.79Å; V744-Y746 VanDerWaalsContact C-N 3.33Å; V744-Y746 PolarHBondContact O-N 3.36Å; Y746-A749 PolarHBondContact O-N 2.83Å; Y746-K750 PolarHBondContact O-N 2.94Å |
| 747 | I | 56.5 | Low | 43.5 | Very low | 109 Ų | 109 | 133.7 Ų | 133.7 | 56% | 0.559 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -64.9 | -44.7 | 177.7 | -67.6 | 166.2 | 0 | 0 | 0 | 111.4 | S743 V744 K750 K751 | S743-I747 WeakPolarHBondContact O-CG1 3.46Å; S743-I747 PolarHBondContact O-N 3.02Å; S743-I747 VanDerWaalsContact O-N 3.11Å; V744-I747 PolarHBondContact O-N 2.88Å; I747-K750 PolarHBondContact O-N 3.38Å; I747-K751 PolarHBondContact O-N 3.23Å; I747-K751 VanDerWaalsContact O-N 3.16Å |
| 748 | L | 54.2 | Low | 43.5 | Very low | 118 Ų | 118 | 136.3 Ų | 136.3 | 62% | 0.618 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -66.8 | -39.5 | 177.6 | -72.4 | 171.4 | 0 | 0 | 0 | 112.5 | V744 K750 K751 K752 | V744-L748 HydrophobicContact CG1-CD1 4.36Å; V744-L748 PolarHBondContact O-N 3.43Å; L748-K750 VanDerWaalsContact C-N 3.33Å; L748-K750 PolarHBondContact O-N 2.86Å; L748-K751 PolarHBondContact O-N 2.85Å; L748-K752 PolarHBondContact O-N 3.37Å |
| 749 | A | 53.6 | Low | 43.3 | Very low | 61 Ų | 61 | 136 Ų | 136 | 50% | 0.504 | 71% | 0.705 | S | S | . | * | H | α-helix | trans | -61 | -40.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | R745 Y746 K752 | R745-A749 VanDerWaalsContact O-CB 3.3Å; R745-A749 WeakPolarHBondContact O-CB 3.36Å; R745-A749 PolarHBondContact O-N 3.23Å; Y746-A749 PolarHBondContact O-N 2.83Å; A749-K752 PolarHBondContact O-N 3.28Å |
| 750 | K | 52.1 | Low | 43.1 | Very low | 141 Ų | 141 | 138.9 Ų | 138.9 | 61% | 0.613 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -70.3 | -38.5 | -179 | -152.1 | 169.4 | -172.9 | 176.4 | 0 | 112.6 | Y746 I747 L748 K752 K753 | Y746-K750 PolarHBondContact O-N 2.94Å; I747-K750 PolarHBondContact O-N 3.38Å; L748-K750 VanDerWaalsContact C-N 3.33Å; L748-K750 PolarHBondContact O-N 2.86Å; K750-K752 VanDerWaalsContact C-N 3.32Å; K750-K752 PolarHBondContact O-N 3.22Å; K750-K753 PolarHBondContact O-N 2.91Å |
| 751 | K | 44.1 | Very low | 42.5 | Very low | 155 Ų | 155 | 141 Ų | 141 | 67% | 0.674 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -65.3 | -29 | 173.4 | -98.1 | -168.1 | 173.1 | -172.7 | 0 | 113.8 | I747 L748 K753 S754 | I747-K751 PolarHBondContact O-N 3.23Å; I747-K751 VanDerWaalsContact O-N 3.16Å; L748-K751 PolarHBondContact O-N 2.85Å; K751-K753 VanDerWaalsContact C-N 3.32Å; K751-K753 PolarHBondContact O-N 3.24Å; K751-S754 PolarHBondContact O-OG 3.03Å |
| 752 | K | 43.9 | Very low | 42.1 | Very low | 189 Ų | 189 | 145.9 Ų | 145.9 | 82% | 0.822 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -79.3 | -10.3 | 179.6 | -145.1 | 175.8 | -175.4 | -178 | 0 | 114.2 | L748 A749 K750 | L748-K752 PolarHBondContact O-N 3.37Å; A749-K752 PolarHBondContact O-N 3.28Å; K750-K752 VanDerWaalsContact C-N 3.32Å; K750-K752 PolarHBondContact O-N 3.22Å |
| 753 | K | 41.3 | Very low | 41.7 | Very low | 180 Ų | 180 | 145.8 Ų | 145.8 | 78% | 0.783 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -98 | -8.2 | 172.1 | -81.7 | -166.4 | 171 | -170.7 | 0 | 114.6 | K750 K751 | K750-K753 PolarHBondContact O-N 2.91Å; K751-K753 VanDerWaalsContact C-N 3.32Å; K751-K753 PolarHBondContact O-N 3.24Å |
| 754 | S | 36.5 | Very low | 40.5 | Very low | 87 Ų | 87 | 148.8 Ų | 148.8 | 61% | 0.608 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -98 | 16.4 | -175.6 | 67.6 | 0 | 0 | 0 | 0 | 115.3 | K751 | K751-S754 PolarHBondContact O-OG 3.03Š|
| 755 | L | 34.3 | Very low | 39.4 | Very low | 162 Ų | 162 | 156 Ų | 156 | 85% | 0.848 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -131.8 | 28.1 | -178.8 | -73.9 | 172.7 | 0 | 0 | 0 | 112.6 | ||
| 756 | S | 36.5 | Very low | 38.4 | Very low | 92 Ų | 92 | 156.2 Ų | 156.2 | 64% | 0.643 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -130.9 | 22.3 | -173.9 | 62.7 | 0 | 0 | 0 | 0 | 114.9 | ||
| 757 | V | 34.5 | Very low | 36.9 | Very low | 132 Ų | 132 | 155.2 Ų | 155.2 | 80% | 0.8 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -140 | 80.6 | 173.9 | -170.6 | 0 | 0 | 0 | 0 | 110.9 | ||
| 758 | I | 33 | Very low | 35.5 | Very low | 183 Ų | 183 | 156.3 Ų | 156.3 | 94% | 0.938 | 78% | 0.782 | S | S | * | * | trans | -175.4 | 133.9 | 151.5 | -94.7 | 149.6 | 0 | 0 | 0 | 105.4 | ||||
| 759 | G | 32.2 | Very low | 33.8 | Very low | 76 Ų | 76 | 160.3 Ų | 160.3 | 78% | 0.784 | 79% | 0.794 | S | S | * | * | trans | 125 | 75.7 | -177 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 760 | K | 30.6 | Very low | 32.4 | Very low | 205 Ų | 205 | 165.1 Ų | 165.1 | 89% | 0.891 | 81% | 0.81 | S | S | * | * | trans | -82 | 130.7 | 174.6 | -73.8 | 178.4 | 177.3 | 173.6 | 0 | 110.9 | ||||
| 761 | R | 28.3 | Very low | 30.9 | Very low | 234 Ų | 234 | 167.3 Ų | 167.3 | 88% | 0.883 | 82% | 0.819 | S | S | * | * | trans | 58 | 104.6 | 131.1 | -169.6 | -166.8 | -152.5 | 176 | 8.3 | 118.4 | ||||
| 762 | R | 32.5 | Very low | 29.8 | Very low | 227 Ų | 227 | 169.8 Ų | 169.8 | 86% | 0.857 | 83% | 0.831 | S | S | * | * | -166 | 123.1 | 123.1 | -108.8 | 164.6 | -176.5 | 171.7 | 1.3 | 114.7 | |||||
| 763 | Q | 28.6 | Very low | 28.8 | Very low | 183 Ų | 183 | 169.3 Ų | 169.3 | 86% | 0.855 | 83% | 0.831 | S | S | * | * | trans | 37.7 | 137 | 149 | -75.8 | 166.4 | -33.8 | 0 | 0 | 123.4 | ||||
| 764 | T | 25.5 | Very low | 28.6 | Very low | 132 Ų | 132 | 166.1 Ų | 166.1 | 81% | 0.81 | 83% | 0.829 | S | S | * | * | trans | -80.1 | 144.8 | 171.1 | 49.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 765 | R | 25.6 | Very low | 27.9 | Very low | 245 Ų | 245 | 170.2 Ų | 170.2 | 93% | 0.925 | 84% | 0.843 | S | S | * | * | trans | -135.3 | 135.4 | 143.2 | -79.2 | -169.7 | 170.3 | 177.3 | -3.4 | 109.8 | ||||
| 766 | K | 24.8 | Very low | 27.4 | Very low | 210 Ų | 210 | 167.8 Ų | 167.8 | 91% | 0.913 | 84% | 0.84 | S | S | * | * | trans | -94.5 | 129.1 | 168.3 | -66.8 | 176.5 | 179.5 | 175 | 0 | 108.2 | ||||
| 767 | V | 27.1 | Very low | 27.3 | Very low | 139 Ų | 139 | 169.2 Ų | 169.2 | 84% | 0.842 | 85% | 0.847 | S | S | * | * | trans | -138.7 | 163.3 | 158.9 | -173.5 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 768 | T | 26 | Very low | 26.7 | Very low | 132 Ų | 132 | 171.4 Ų | 171.4 | 81% | 0.81 | 85% | 0.853 | S | S | * | * | trans | -94.5 | 169.1 | -150.7 | 38.9 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 769 | K | 19.4 | Very low | 26.1 | Very low | 201 Ų | 201 | 173.1 Ų | 173.1 | 87% | 0.874 | 85% | 0.848 | S | S | * | * | trans | -65.4 | 145.3 | 170.1 | -58.4 | 168.7 | 179.1 | 171.3 | 0 | 111.3 | ||||
| 770 | I | 24.2 | Very low | 25.7 | Very low | 162 Ų | 162 | 179 Ų | 179 | 83% | 0.831 | 85% | 0.852 | S | S | * | * | trans | -133.8 | 141.1 | 150.3 | -65 | -176 | 0 | 0 | 0 | 108.1 | ||||
| 771 | K | 19.3 | Very low | 25.4 | Very low | 187 Ų | 187 | 174.4 Ų | 174.4 | 81% | 0.813 | 84% | 0.837 | S | S | * | * | trans | -101.8 | 158.9 | 167.8 | -63 | 175.5 | 176.1 | 178.8 | 0 | 108.7 | ||||
| 772 | F | 22.6 | Very low | 25.1 | Very low | 208 Ų | 208 | 172.1 Ų | 172.1 | 91% | 0.912 | 83% | 0.834 | S | S | * | * | trans | -155.9 | 179.4 | 137.5 | -108.2 | -66 | 0 | 0 | 0 | 111.7 | ||||
| 773 | Q | 22.7 | Very low | 24.7 | Very low | 178 Ų | 178 | 167.8 Ų | 167.8 | 83% | 0.832 | 82% | 0.823 | S | S | * | * | trans | -124.3 | 173.9 | -158.9 | -103.8 | 177.9 | -80.5 | 0 | 0 | 113 | ||||
| 774 | P | 35.9 | Very low | 24.5 | Very low | 113 Ų | 113 | 165.5 Ų | 165.5 | 73% | 0.734 | 81% | 0.813 | S | S | * | * | trans | -93.7 | 179.2 | -161.3 | 38.7 | -38.9 | 0 | 0 | 0 | 115.5 | ||||
| 775 | L | 22 | Very low | 24.3 | Very low | 174 Ų | 174 | 164.4 Ų | 164.4 | 91% | 0.911 | 80% | 0.802 | S | S | * | * | trans | -127.2 | 172.4 | 170.5 | -82.2 | 168.2 | 0 | 0 | 0 | 111.9 | ||||
| 776 | S | 23.7 | Very low | 24.2 | Very low | 111 Ų | 111 | 161 Ų | 161 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | trans | -109.3 | 166.3 | -148.7 | -53 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 777 | P | 34.6 | Very low | 24 | Very low | 122 Ų | 122 | 155.6 Ų | 155.6 | 79% | 0.792 | 78% | 0.783 | S | S | * | * | trans | -100.9 | 173.8 | -175 | 39.9 | -35.9 | 0 | 0 | 0 | 115.1 | ||||
| 778 | L | 22 | Very low | 24.1 | Very low | 178 Ų | 178 | 160.5 Ų | 160.5 | 93% | 0.932 | 79% | 0.788 | S | S | * | * | trans | -130.7 | 165.5 | 172.5 | -79 | 172.1 | 0 | 0 | 0 | 112.6 | ||||
| 779 | R | 21.1 | Very low | 23.8 | Very low | 219 Ų | 219 | 157.2 Ų | 157.2 | 83% | 0.826 | 78% | 0.78 | S | S | * | * | trans | -99.1 | 165.5 | -175.7 | -57.3 | 177 | 178.5 | 173.5 | -1.7 | 112.9 | ||||
| 780 | F | 23.3 | Very low | 24.3 | Very low | 200 Ų | 200 | 155.1 Ų | 155.1 | 88% | 0.877 | 78% | 0.778 | S | S | * | * | -169.6 | -172.3 | 119.5 | -108.5 | -69.7 | 0 | 0 | 0 | 111 | |||||
| 781 | D | 23.6 | Very low | 24.2 | Very low | 107 Ų | 107 | 155.9 Ų | 155.9 | 57% | 0.572 | 78% | 0.775 | S | S | * | * | trans | -138.7 | 153.4 | -137.3 | -84.3 | -67.3 | 0 | 0 | 0 | 116.6 | ||||
| 782 | F | 23.7 | Very low | 24.2 | Very low | 186 Ų | 186 | 153.6 Ų | 153.6 | 82% | 0.816 | 77% | 0.767 | S | S | * | * | trans | 55.5 | 173.5 | 155.2 | -82.5 | -89.3 | 0 | 0 | 0 | 119.1 | ||||
| 783 | E | 23.4 | Very low | 24.4 | Very low | 136 Ų | 136 | 150 Ų | 150 | 64% | 0.636 | 76% | 0.757 | S | S | * | * | cis | -145.5 | -152.2 | 12.4 | -128.8 | -73.2 | 123.5 | 0 | 0 | 111.2 | ||||
| 784 | Q | 23.7 | Very low | 24.4 | Very low | 135 Ų | 135 | 150.4 Ų | 150.4 | 63% | 0.631 | 76% | 0.759 | S | S | * | * | trans | -86.7 | -164.6 | -166.4 | -58.5 | 166.6 | 59.3 | 0 | 0 | 115.6 | ||||
| 785 | N | 22.2 | Very low | 23.7 | Very low | 110 Ų | 110 | 152.3 Ų | 152.3 | 59% | 0.588 | 76% | 0.763 | S | S | * | * | cis | -164.4 | 164.9 | 14.3 | -135.8 | -35.5 | 0 | 0 | 0 | 116.7 | ||||
| 786 | K | 22.1 | Very low | 24.2 | Very low | 173 Ų | 173 | 149.5 Ų | 149.5 | 75% | 0.752 | 76% | 0.755 | S | S | * | * | trans | 34.3 | 125.5 | 151.2 | -80.8 | 159.6 | -171 | -178.9 | 0 | 127.1 | ||||
| 787 | S | 21.8 | Very low | 24.1 | Very low | 97 Ų | 97 | 151.9 Ų | 151.9 | 68% | 0.678 | 75% | 0.754 | S | S | * | * | 13.7 | 144.1 | 129.9 | 62 | 0 | 0 | 0 | 0 | 125.1 | |||||
| 788 | Y | 28.9 | Very low | 23.6 | Very low | 241 Ų | 241 | 151.4 Ų | 151.4 | 95% | 0.945 | 75% | 0.745 | S | S | * | * | trans | -161.7 | 167.8 | 142.6 | -105.5 | -70.8 | 0 | 0 | 0 | 112.7 | ||||
| 789 | G | 20.4 | Very low | 23.7 | Very low | 64 Ų | 64 | 149.8 Ų | 149.8 | 66% | 0.66 | 73% | 0.732 | S | S | * | * | trans | -177 | 158.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 790 | L | 28.6 | Very low | 24.1 | Very low | 157 Ų | 157 | 148.5 Ų | 148.5 | 82% | 0.822 | 73% | 0.733 | S | S | * | * | trans | -154 | 147 | 173.7 | -80.2 | 125.3 | 0 | 0 | 0 | 106.6 | ||||
| 791 | K | 22.1 | Very low | 24 | Very low | 177 Ų | 177 | 143.6 Ų | 143.6 | 77% | 0.77 | 72% | 0.724 | S | S | * | * | 63.9 | 145.1 | 55 | -77.5 | -156.8 | 169.6 | -152.7 | 0 | 114.8 | |||||
| 792 | Q | 19.5 | Very low | 25 | Very low | 140 Ų | 140 | 143.8 Ų | 143.8 | 65% | 0.654 | 73% | 0.731 | S | S | * | * | cis | -169.3 | -172.9 | -26.6 | -156.2 | 163.7 | -20.1 | 0 | 0 | 106.5 | ||||
| 793 | D | 27.4 | Very low | 25.4 | Very low | 131 Ų | 131 | 146.1 Ų | 146.1 | 70% | 0.701 | 74% | 0.736 | S | S | * | * | trans | 72.3 | 151.7 | 161.5 | -35.8 | -38.3 | 0 | 0 | 0 | 116.8 | ||||
| 794 | E | 23.2 | Very low | 25.4 | Very low | 187 Ų | 187 | 150.3 Ų | 150.3 | 87% | 0.874 | 75% | 0.746 | S | S | * | * | cis | -156.6 | -168.6 | -15.2 | -125.5 | 179.7 | -178.3 | 0 | 0 | 113 | ||||
| 795 | L | 21.3 | Very low | 25.3 | Very low | 153 Ų | 153 | 147.9 Ų | 147.9 | 80% | 0.801 | 74% | 0.744 | S | S | * | * | trans | -76.6 | 174.3 | -176.9 | -96.5 | 161.6 | 0 | 0 | 0 | 113.9 | ||||
| 796 | P | 31.8 | Very low | 25.7 | Very low | 116 Ų | 116 | 152.2 Ų | 152.2 | 75% | 0.753 | 76% | 0.76 | S | S | * | * | cis | -154.2 | -160.5 | 49.7 | 45.3 | -21 | 0 | 0 | 0 | 119.4 | ||||
| 797 | E | 20.9 | Very low | 25.7 | Very low | 160 Ų | 160 | 150.1 Ų | 150.1 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | trans | -70.5 | 176.8 | -171.2 | -49.9 | 158.9 | 147.5 | 0 | 0 | 114.5 | ||||
| 798 | N | 25.2 | Very low | 25.8 | Very low | 113 Ų | 113 | 152.9 Ų | 152.9 | 60% | 0.604 | 76% | 0.762 | S | S | * | * | -173.3 | 159.6 | 53.5 | -118.8 | -49 | 0 | 0 | 0 | 115.7 | |||||
| 799 | Q | 23.5 | Very low | 25.6 | Very low | 143 Ų | 143 | 149 Ų | 149 | 67% | 0.668 | 75% | 0.753 | S | S | * | * | trans | 27.9 | 131.3 | 149.8 | -67.4 | 161.1 | 53.8 | 0 | 0 | 122.8 | ||||
| 800 | F | 29.1 | Very low | 25.9 | Very low | 192 Ų | 192 | 153 Ų | 153 | 84% | 0.842 | 76% | 0.759 | S | S | * | * | -176 | 166.9 | 98.4 | -110.6 | -81.2 | 0 | 0 | 0 | 113.6 | |||||
| 801 | S | 22.5 | Very low | 25.6 | Very low | 98 Ų | 98 | 154.2 Ų | 154.2 | 69% | 0.685 | 76% | 0.761 | S | S | * | * | trans | -139.5 | -169.2 | -177.6 | 66.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 802 | P | 43.9 | Very low | 25.8 | Very low | 111 Ų | 111 | 155.1 Ų | 155.1 | 72% | 0.721 | 77% | 0.767 | S | S | * | * | cis | -121.1 | -178.7 | -48.2 | 37.4 | -24 | 0 | 0 | 0 | 111.6 | ||||
| 803 | Y | 31.2 | Very low | 25.9 | Very low | 234 Ų | 234 | 155.3 Ų | 155.3 | 92% | 0.918 | 77% | 0.771 | S | S | * | * | trans | -151.8 | 164.9 | 142.9 | -134.8 | -94.9 | 0 | 0 | 0 | 113 | ||||
| 804 | R | 24.1 | Very low | 25.8 | Very low | 225 Ų | 225 | 157.3 Ų | 157.3 | 85% | 0.849 | 78% | 0.781 | S | S | * | * | trans | -117.7 | 157.8 | -158.6 | -166.8 | 174.3 | -179.6 | 178.3 | 0.6 | 113.9 | ||||
| 805 | S | 22.4 | Very low | 25.8 | Very low | 83 Ų | 83 | 152.2 Ų | 152.2 | 58% | 0.58 | 77% | 0.766 | S | S | * | * | trans | -52.3 | 150.1 | 177.8 | 55.4 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 806 | Q | 30.1 | Very low | 25.8 | Very low | 202 Ų | 202 | 151.8 Ų | 151.8 | 94% | 0.944 | 77% | 0.765 | S | S | * | * | trans | -124.1 | 158.8 | 148.3 | -76.5 | -172.2 | -22.3 | 0 | 0 | 110.4 | ||||
| 807 | I | 22.6 | Very low | 25.5 | Very low | 128 Ų | 128 | 151.9 Ų | 151.9 | 66% | 0.656 | 76% | 0.763 | S | S | * | * | trans | -145.8 | 132.8 | -156.1 | -73.5 | 174.6 | 0 | 0 | 0 | 109.7 | ||||
| 808 | L | 22.5 | Very low | 25.5 | Very low | 155 Ų | 155 | 150.8 Ų | 150.8 | 81% | 0.812 | 76% | 0.762 | S | S | * | * | trans | 58.2 | 177.5 | 169.5 | -64.2 | 167.7 | 0 | 0 | 0 | 113.4 | ||||
| 809 | Q | 25.1 | Very low | 25.4 | Very low | 159 Ų | 159 | 156.3 Ų | 156.3 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | cis | -151.8 | 153 | 8.5 | -157 | 164.8 | 5.7 | 0 | 0 | 109.5 | ||||
| 810 | N | 26.8 | Very low | 25.3 | Very low | 150 Ų | 150 | 155.2 Ų | 155.2 | 80% | 0.802 | 78% | 0.779 | S | S | * | * | 169.2 | 126.2 | 129.6 | -86 | -12.7 | 0 | 0 | 0 | 112.3 | |||||
| 811 | Q | 22 | Very low | 24.9 | Very low | 181 Ų | 181 | 152.1 Ų | 152.1 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | trans | -110.8 | 151.5 | 157.8 | -65.2 | 170.6 | -34.4 | 0 | 0 | 106.7 | ||||
| 812 | H | 26.5 | Very low | 25.4 | Very low | 196 Ų | 196 | 152.8 Ų | 152.8 | 91% | 0.907 | 78% | 0.784 | S | S | * | * | trans | -148.8 | 152.6 | 153.3 | -110.9 | -81.3 | 0 | 0 | 0 | 110.5 | ||||
| 813 | I | 21.7 | Very low | 24.9 | Very low | 145 Ų | 145 | 151.9 Ų | 151.9 | 74% | 0.744 | 78% | 0.779 | S | S | * | * | trans | -111.9 | 149 | -167.8 | -65 | 165.5 | 0 | 0 | 0 | 109.6 | ||||
| 814 | L | 25.6 | Very low | 24.5 | Very low | 172 Ų | 172 | 145.6 Ų | 145.6 | 90% | 0.901 | 76% | 0.761 | S | S | * | * | trans | -139.2 | 158.7 | 160.4 | -102.8 | 164.3 | 0 | 0 | 0 | 109.5 | ||||
| 815 | S | 23.1 | Very low | 24.4 | Very low | 81 Ų | 81 | 141.3 Ų | 141.3 | 57% | 0.566 | 76% | 0.755 | S | S | * | * | trans | -158.6 | 152 | -146.9 | 55.3 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 816 | N | 21.5 | Very low | 24.5 | Very low | 144 Ų | 144 | 145.4 Ų | 145.4 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | trans | 66 | 160.5 | 149 | -66.8 | 16.6 | 0 | 0 | 0 | 117.7 | ||||
| 817 | T | 24.2 | Very low | 24.1 | Very low | 117 Ų | 117 | 140 Ų | 140 | 72% | 0.718 | 75% | 0.754 | S | S | * | * | cis | -156.6 | 172.8 | -17.6 | 18.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 818 | D | 21.1 | Very low | 24.1 | Very low | 137 Ų | 137 | 141.1 Ų | 141.1 | 73% | 0.733 | 76% | 0.761 | S | S | * | * | trans | -55.5 | 167.8 | 179.3 | -43.5 | -88.2 | 0 | 0 | 0 | 117.8 | ||||
| 819 | Y | 23.7 | Very low | 24.1 | Very low | 230 Ų | 230 | 137.8 Ų | 137.8 | 90% | 0.902 | 76% | 0.756 | S | S | * | * | trans | -156.5 | 162.4 | 136.2 | -122.5 | -81.3 | 0 | 0 | 0 | 112.6 | ||||
| 820 | V | 21.7 | Very low | 24 | Very low | 120 Ų | 120 | 136 Ų | 136 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | trans | -139.8 | 143.9 | -169 | 170.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 821 | C | 21.6 | Very low | 23.8 | Very low | 127 Ų | 127 | 132.3 Ų | 132.3 | 86% | 0.858 | 76% | 0.759 | S | S | * | * | trans | -171.8 | 166 | 144.4 | -104.1 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 822 | S | 32.1 | Very low | 23.9 | Very low | 111 Ų | 111 | 134.1 Ų | 134.1 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | trans | -105.2 | -161.4 | 172.3 | -60.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 823 | P | 33.1 | Very low | 23.7 | Very low | 93 Ų | 93 | 132 Ų | 132 | 60% | 0.604 | 75% | 0.748 | S | S | * | * | cis | -147.3 | -153.7 | 5.7 | 37.4 | -10.7 | 0 | 0 | 0 | 116.2 | ||||
| 824 | N | 24 | Very low | 23.9 | Very low | 101 Ų | 101 | 130 Ų | 130 | 54% | 0.54 | 75% | 0.747 | S | S | . | * | trans | 95.6 | 110.2 | 149.6 | -71.2 | -13.1 | 0 | 0 | 0 | 122.8 | Q85 | Q85-N824 PolarHBondContact NE2-O 3.29Š| ||
| 825 | N | 21.2 | Very low | 24.3 | Very low | 136 Ų | 136 | 126.7 Ų | 126.7 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | 68.1 | 155.7 | 114.3 | -65.3 | -14 | 0 | 0 | 0 | 124.7 | |||||
| 826 | L | 23.8 | Very low | 24.3 | Very low | 168 Ų | 168 | 130.4 Ų | 130.4 | 88% | 0.88 | 75% | 0.748 | S | S | * | * | trans | 99 | 135.1 | 155.7 | -76 | 148.6 | 0 | 0 | 0 | 120.2 | ||||
| 827 | S | 21.2 | Very low | 24.4 | Very low | 89 Ų | 89 | 132 Ų | 132 | 62% | 0.622 | 75% | 0.751 | S | S | * | * | trans | -92.4 | 159.1 | -176.8 | 53.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 828 | N | 22.6 | Very low | 24.3 | Very low | 152 Ų | 152 | 132.6 Ų | 132.6 | 81% | 0.813 | 76% | 0.758 | S | S | * | * | 174.9 | 158.4 | 115.2 | -90.1 | -17.7 | 0 | 0 | 0 | 116 | |||||
| 829 | A | 24.1 | Very low | 24.5 | Very low | 84 Ų | 84 | 130.7 Ų | 130.7 | 69% | 0.694 | 76% | 0.755 | S | S | * | * | trans | 52.8 | 95 | 142.4 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 830 | S | 22.2 | Very low | 24.6 | Very low | 121 Ų | 121 | 130.9 Ų | 130.9 | 85% | 0.846 | 76% | 0.756 | S | S | * | * | 33.7 | 125.9 | 117.9 | 62.9 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 831 | G | 22.4 | Very low | 24.6 | Very low | 74 Ų | 74 | 131.2 Ų | 131.2 | 76% | 0.763 | 75% | 0.753 | S | S | * | * | trans | 121 | 152 | 147.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 832 | R | 23.8 | Very low | 24.8 | Very low | 219 Ų | 219 | 131.2 Ų | 131.2 | 83% | 0.826 | 75% | 0.745 | S | S | * | * | cis | -169.1 | 162.1 | -24.4 | -136.4 | 180 | -170.1 | -133.8 | 15.8 | 107.1 | ||||
| 833 | H | 23.9 | Very low | 24.5 | Very low | 152 Ų | 152 | 131.3 Ų | 131.3 | 70% | 0.704 | 74% | 0.737 | S | S | * | * | trans | 64.5 | 96.7 | 164.5 | -66.4 | -64.3 | 0 | 0 | 0 | 121 | ||||
| 834 | S | 24.4 | Very low | 24.3 | Very low | 102 Ų | 102 | 136.7 Ų | 136.7 | 71% | 0.713 | 75% | 0.747 | S | S | * | * | -72.6 | -172.2 | 124.2 | 62.7 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 835 | P | 34.8 | Very low | 24.4 | Very low | 102 Ų | 102 | 139.2 Ų | 139.2 | 66% | 0.662 | 76% | 0.759 | S | S | * | * | cis | -138 | -179.8 | 0.1 | 43.7 | -27.3 | 0 | 0 | 0 | 115.5 | ||||
| 836 | I | 23.8 | Very low | 24.7 | Very low | 160 Ų | 160 | 138 Ų | 138 | 82% | 0.821 | 76% | 0.757 | S | S | * | * | trans | -133.5 | 133.6 | 138.6 | -64.8 | -174.1 | 0 | 0 | 0 | 108.5 | ||||
| 837 | Q | 22.6 | Very low | 25.2 | Very low | 178 Ų | 178 | 137.4 Ų | 137.4 | 83% | 0.832 | 76% | 0.755 | S | S | * | * | trans | -114.9 | 147.3 | 164.3 | -70.7 | -179.1 | -53.8 | 0 | 0 | 109 | ||||
| 838 | C | 22.5 | Very low | 25.4 | Very low | 128 Ų | 128 | 138.1 Ų | 138.1 | 87% | 0.865 | 76% | 0.755 | S | S | * | * | trans | -115.6 | 108 | 160.7 | -73.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 839 | S | 24.2 | Very low | 25.8 | Very low | 98 Ų | 98 | 136.6 Ų | 136.6 | 69% | 0.685 | 75% | 0.752 | S | S | * | * | trans | -83.6 | 156.2 | 173 | 50.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 840 | Y | 25.6 | Very low | 25.9 | Very low | 234 Ų | 234 | 140.6 Ų | 140.6 | 92% | 0.918 | 76% | 0.756 | S | S | * | * | trans | -141.4 | 121.2 | 155 | -125.7 | -88.2 | 0 | 0 | 0 | 109 | ||||
| 841 | N | 22.9 | Very low | 26.4 | Very low | 126 Ų | 126 | 143.1 Ų | 143.1 | 67% | 0.674 | 76% | 0.759 | S | S | * | * | trans | -85.9 | 156.6 | 176.9 | -65.2 | -16.7 | 0 | 0 | 0 | 110.1 | ||||
| 842 | D | 26.4 | Very low | 26.4 | Very low | 128 Ų | 128 | 146 Ų | 146 | 68% | 0.684 | 76% | 0.757 | S | S | * | * | 175.3 | 136 | 101.4 | -96.2 | -15.1 | 0 | 0 | 0 | 112.7 | |||||
| 843 | N | 25.8 | Very low | 26.8 | Very low | 113 Ų | 113 | 146.5 Ų | 146.5 | 60% | 0.604 | 76% | 0.76 | S | S | * | * | trans | 39.2 | 138.2 | 134.9 | -40.9 | -42.3 | 0 | 0 | 0 | 119.3 | ||||
| 844 | Y | 27.7 | Very low | 26.8 | Very low | 205 Ų | 205 | 144.1 Ų | 144.1 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | cis | -169.3 | 154 | 49.3 | -120.4 | -65.7 | 0 | 0 | 0 | 114 | ||||
| 845 | L | 26.5 | Very low | 26.9 | Very low | 154 Ų | 154 | 147.6 Ų | 147.6 | 81% | 0.806 | 76% | 0.761 | S | S | * | * | trans | 76.4 | 142.9 | 145.5 | -139 | 67.9 | 0 | 0 | 0 | 121.4 | ||||
| 846 | T | 26.8 | Very low | 26.4 | Very low | 111 Ų | 111 | 147.6 Ų | 147.6 | 68% | 0.681 | 76% | 0.764 | S | S | * | * | trans | -96.7 | 156.6 | -168.8 | 48.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 847 | D | 34.1 | Very low | 26.4 | Very low | 155 Ų | 155 | 147.2 Ų | 147.2 | 83% | 0.829 | 76% | 0.763 | S | S | * | * | trans | -174.4 | 152.7 | 133.7 | -94.1 | -19.1 | 0 | 0 | 0 | 108.5 | ||||
| 848 | V | 26.8 | Very low | 26.4 | Very low | 105 Ų | 105 | 146.8 Ų | 146.8 | 64% | 0.636 | 76% | 0.761 | S | S | * | * | cis | -176.6 | 143.3 | -38.9 | 129.6 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 849 | T | 30.8 | Very low | 26.5 | Very low | 120 Ų | 120 | 145.3 Ų | 145.3 | 74% | 0.736 | 75% | 0.752 | S | S | * | * | trans | 58.9 | 155 | 175.7 | 48.2 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 850 | E | 25.7 | Very low | 26.4 | Very low | 167 Ų | 167 | 148.1 Ų | 148.1 | 78% | 0.78 | 76% | 0.759 | S | S | * | * | cis | -168.4 | 137.5 | -36.5 | -126.2 | -177.8 | 164 | 0 | 0 | 107.9 | ||||
| 851 | L | 32.3 | Very low | 26.2 | Very low | 174 Ų | 174 | 141.4 Ų | 141.4 | 91% | 0.911 | 75% | 0.746 | S | S | * | * | trans | 174.8 | 130 | 140.8 | -102.2 | 163.6 | 0 | 0 | 0 | 110.7 | ||||
| 852 | N | 22.9 | Very low | 26.2 | Very low | 135 Ų | 135 | 141.9 Ų | 141.9 | 72% | 0.722 | 75% | 0.749 | S | S | * | * | trans | -90.7 | 143.8 | 178.8 | -61.9 | -59.7 | 0 | 0 | 0 | 111.5 | ||||
| 853 | Y | 32 | Very low | 26.1 | Very low | 230 Ų | 230 | 144 Ų | 144 | 90% | 0.902 | 76% | 0.755 | S | S | * | * | -149.1 | 152 | 127 | -132.7 | -93.4 | 0 | 0 | 0 | 110.1 | |||||
| 854 | T | 24.4 | Very low | 26 | Very low | 101 Ų | 101 | 144.2 Ų | 144.2 | 62% | 0.62 | 76% | 0.76 | S | S | * | * | trans | -117.3 | 179.6 | -161.5 | 50.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 855 | Q | 26.6 | Very low | 26.4 | Very low | 175 Ų | 175 | 142.4 Ų | 142.4 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | trans | 85.6 | 113.7 | 176.3 | -55.9 | 176.3 | -16.8 | 0 | 0 | 113.9 | ||||
| 856 | S | 24 | Very low | 26.2 | Very low | 103 Ų | 103 | 141.6 Ų | 141.6 | 72% | 0.72 | 76% | 0.76 | S | S | * | * | cis | 107.8 | 137.9 | 10.2 | -55 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 857 | L | 24.1 | Very low | 26.2 | Very low | 152 Ų | 152 | 143 Ų | 143 | 80% | 0.796 | 76% | 0.763 | S | S | * | * | trans | 64.2 | 132.7 | -174.9 | -73.9 | 68.7 | 0 | 0 | 0 | 114 | ||||
| 858 | E | 22.5 | Very low | 25.8 | Very low | 169 Ų | 169 | 140.4 Ų | 140.4 | 79% | 0.79 | 76% | 0.756 | S | S | * | * | cis | 94.1 | 115.8 | 27.1 | -65.1 | -170.2 | 134.9 | 0 | 0 | 115.9 | ||||
| 859 | S | 23.5 | Very low | 25.6 | Very low | 96 Ų | 96 | 142.4 Ų | 142.4 | 67% | 0.671 | 76% | 0.763 | S | S | * | * | trans | 56.4 | 125 | 143.9 | 64.5 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 860 | N | 22.2 | Very low | 25.7 | Very low | 158 Ų | 158 | 144.8 Ų | 144.8 | 85% | 0.845 | 77% | 0.765 | S | S | * | * | trans | 83.2 | 165.5 | 136.7 | -64 | 0.7 | 0 | 0 | 0 | 120.1 | ||||
| 861 | S | 22.5 | Very low | 25.5 | Very low | 92 Ų | 92 | 143.9 Ų | 143.9 | 64% | 0.643 | 77% | 0.766 | S | S | * | * | trans | -59.3 | 164 | 179.4 | 53.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 862 | D | 23 | Very low | 25.4 | Very low | 137 Ų | 137 | 146.1 Ų | 146.1 | 73% | 0.733 | 76% | 0.762 | S | S | * | * | -162.2 | 173.3 | 52.1 | -94.9 | -66.3 | 0 | 0 | 0 | 114.7 | |||||
| 863 | E | 24.3 | Very low | 25.5 | Very low | 171 Ų | 171 | 148.1 Ų | 148.1 | 80% | 0.799 | 76% | 0.764 | S | S | * | * | trans | 63.9 | 139.4 | 148.4 | -81.3 | -169.3 | 152.2 | 0 | 0 | 124.6 | ||||
| 864 | V | 23.9 | Very low | 25 | Very low | 119 Ų | 119 | 145.6 Ų | 145.6 | 72% | 0.721 | 76% | 0.761 | S | S | * | * | trans | 57.9 | 113.7 | 140.8 | 178.9 | 0 | 0 | 0 | 0 | 120 | ||||
| 865 | L | 35.2 | Very low | 24.9 | Very low | 167 Ų | 167 | 146.4 Ų | 146.4 | 87% | 0.874 | 77% | 0.765 | S | S | * | * | -159 | 127.2 | 119.3 | -111.3 | 167.3 | 0 | 0 | 0 | 111.6 | |||||
| 866 | D | 23.4 | Very low | 24.7 | Very low | 137 Ų | 137 | 145.9 Ų | 145.9 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | trans | -103 | 179 | 167.8 | -173 | 19.7 | 0 | 0 | 0 | 109.6 | ||||
| 867 | L | 25.9 | Very low | 24.7 | Very low | 141 Ų | 141 | 146.4 Ų | 146.4 | 74% | 0.738 | 76% | 0.762 | S | S | * | * | trans | 78 | 90.1 | 171.2 | -58.6 | 173.9 | 0 | 0 | 0 | 117.4 | ||||
| 868 | S | 25.4 | Very low | 24.8 | Very low | 99 Ų | 99 | 147.6 Ų | 147.6 | 69% | 0.692 | 77% | 0.768 | S | S | * | * | 110.5 | 133.9 | 106.8 | 78.7 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 869 | L | 24 | Very low | 24.7 | Very low | 148 Ų | 148 | 144.5 Ų | 144.5 | 78% | 0.775 | 77% | 0.765 | S | S | * | * | trans | 44 | 105.1 | 139.2 | -65.6 | 168.7 | 0 | 0 | 0 | 119.3 | ||||
| 870 | H | 31.5 | Very low | 24.7 | Very low | 169 Ų | 169 | 150.9 Ų | 150.9 | 78% | 0.782 | 77% | 0.774 | S | S | * | * | -145.7 | 104.9 | 125.1 | -118.4 | 57.1 | 0 | 0 | 0 | 113.6 | R872 | H870-R872 PolarHBondContact O-N 3.39Š| |||
| 871 | N | 21.4 | Very low | 24.9 | Very low | 148 Ų | 148 | 149.2 Ų | 149.2 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | trans | -91.8 | 96 | 176.5 | -166.7 | -11.3 | 0 | 0 | 0 | 109.1 | ||||
| 872 | R | 30.1 | Very low | 24.8 | Very low | 221 Ų | 221 | 151.8 Ų | 151.8 | 83% | 0.834 | 78% | 0.777 | S | S | * | * | trans | -100.7 | 117.8 | 176.9 | -99.1 | -173.1 | 178.7 | -179.4 | 1 | 111.9 | H870 | H870-R872 PolarHBondContact O-N 3.39Š| ||
| 873 | K | 25 | Very low | 25 | Very low | 177 Ų | 177 | 152.4 Ų | 152.4 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | trans | -71 | 159.2 | 178.6 | -60.1 | 174.4 | -179.3 | 176.3 | 0 | 111.6 | ||||
| 874 | Q | 21.5 | Very low | 25.3 | Very low | 177 Ų | 177 | 149.2 Ų | 149.2 | 83% | 0.827 | 77% | 0.773 | S | S | * | * | trans | 13.4 | 137.2 | 137 | -56.6 | 168.5 | -25.1 | 0 | 0 | 117.9 | ||||
| 875 | V | 23.6 | Very low | 25.3 | Very low | 118 Ų | 118 | 154.6 Ų | 154.6 | 72% | 0.715 | 78% | 0.78 | S | S | * | * | -168.2 | 117 | 122.5 | 135.4 | 0 | 0 | 0 | 0 | 110 | |||||
| 876 | Q | 22.9 | Very low | 24.8 | Very low | 165 Ų | 165 | 153.2 Ų | 153.2 | 77% | 0.771 | 77% | 0.772 | S | S | * | * | trans | 52.7 | 159.6 | 134.8 | -56.1 | 176.1 | -2.8 | 0 | 0 | 121.1 | ||||
| 877 | T | 22.6 | Very low | 24.7 | Very low | 113 Ų | 113 | 155.9 Ų | 155.9 | 69% | 0.693 | 78% | 0.777 | S | S | * | * | cis | -167.4 | 144.2 | -25.3 | 34.1 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 878 | L | 26 | Very low | 24.5 | Very low | 178 Ų | 178 | 156 Ų | 156 | 93% | 0.932 | 78% | 0.778 | S | S | * | * | trans | -160.5 | 118.9 | 138.2 | -114.1 | 160.1 | 0 | 0 | 0 | 110.2 | ||||
| 879 | S | 20.1 | Very low | 24.3 | Very low | 103 Ų | 103 | 161 Ų | 161 | 72% | 0.72 | 79% | 0.788 | S | S | * | * | trans | -108 | 152.4 | 178.1 | 53.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 880 | R | 24.4 | Very low | 24.1 | Very low | 230 Ų | 230 | 160.5 Ų | 160.5 | 87% | 0.868 | 79% | 0.786 | S | S | * | * | trans | -169 | 150.7 | 147.9 | -114.2 | 173.1 | 179.5 | -170.4 | -2.1 | 113.1 | ||||
| 881 | T | 26.4 | Very low | 23.6 | Very low | 123 Ų | 123 | 158.5 Ų | 158.5 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | trans | 42 | 100.6 | 154.1 | 52.1 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 882 | N | 21 | Very low | 23.6 | Very low | 147 Ų | 147 | 157.1 Ų | 157.1 | 79% | 0.786 | 78% | 0.783 | S | S | * | * | cis | 70.3 | 142.2 | 29.5 | -155 | 14.2 | 0 | 0 | 0 | 115 | ||||
| 883 | I | 25.4 | Very low | 23.2 | Very low | 149 Ų | 149 | 154.7 Ų | 154.7 | 76% | 0.764 | 79% | 0.785 | S | S | * | * | trans | 93.5 | 140.3 | 168.3 | -62.7 | 168.4 | 0 | 0 | 0 | 117.5 | ||||
| 884 | P | 32.2 | Very low | 23 | Very low | 105 Ų | 105 | 155.2 Ų | 155.2 | 68% | 0.682 | 79% | 0.788 | S | S | * | * | trans | -144.2 | -156.8 | -144.4 | 42.9 | -20.3 | 0 | 0 | 0 | 116.9 | ||||
| 885 | W | 23.1 | Very low | 23.7 | Very low | 231 Ų | 231 | 151.5 Ų | 151.5 | 88% | 0.875 | 78% | 0.779 | S | S | * | * | trans | 113.6 | 152.2 | 138.5 | -102.6 | 33.2 | 0 | 0 | 0 | 122.5 | ||||
| 886 | I | 25.6 | Very low | 24 | Very low | 139 Ų | 139 | 152.1 Ų | 152.1 | 71% | 0.713 | 79% | 0.786 | S | S | * | * | trans | 67.8 | 114.2 | 168.5 | -62.5 | 154.8 | 0 | 0 | 0 | 115.1 | ||||
| 887 | K | 21.4 | Very low | 23.9 | Very low | 193 Ų | 193 | 149.6 Ų | 149.6 | 84% | 0.839 | 78% | 0.781 | S | S | * | * | cis | 82.8 | 132.8 | 47.1 | -76.2 | -165.5 | 172 | -176 | 0 | 116.1 | ||||
| 888 | N | 21 | Very low | 24.1 | Very low | 142 Ų | 142 | 154.3 Ų | 154.3 | 76% | 0.759 | 79% | 0.792 | S | S | * | * | trans | -33.8 | 151.2 | 175.1 | -38.2 | 2.3 | 0 | 0 | 0 | 116.2 | ||||
| 889 | F | 21.9 | Very low | 24 | Very low | 204 Ų | 204 | 151.1 Ų | 151.1 | 90% | 0.895 | 78% | 0.78 | S | S | * | * | -154.8 | 150.1 | 117.9 | -122.8 | -79.7 | 0 | 0 | 0 | 113 | |||||
| 890 | D | 19.5 | Very low | 24.2 | Very low | 138 Ų | 138 | 151.7 Ų | 151.7 | 74% | 0.738 | 78% | 0.782 | S | S | * | * | trans | -81.7 | -176.5 | 171.2 | -79.5 | -72.4 | 0 | 0 | 0 | 112.8 | ||||
| 891 | V | 21.1 | Very low | 24.1 | Very low | 127 Ų | 127 | 147.5 Ų | 147.5 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | trans | 100.8 | 131.2 | 152.9 | -168.8 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 892 | T | 20.1 | Very low | 23.9 | Very low | 120 Ų | 120 | 148.4 Ų | 148.4 | 74% | 0.736 | 78% | 0.775 | S | S | * | * | trans | -68.2 | 160.2 | 178.9 | 50.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 893 | L | 22.8 | Very low | 24 | Very low | 169 Ų | 169 | 147.3 Ų | 147.3 | 89% | 0.885 | 77% | 0.774 | S | S | * | * | -168.7 | 168 | 123.1 | -103.5 | 163.5 | 0 | 0 | 0 | 113.2 | |||||
| 894 | K | 20.5 | Very low | 23.8 | Very low | 188 Ų | 188 | 144.6 Ų | 144.6 | 82% | 0.817 | 77% | 0.768 | S | S | * | * | trans | -95.1 | -173.8 | 177.3 | -57.8 | 175.3 | 178.2 | 176.5 | 0 | 110 | ||||
| 895 | P | 36.6 | Very low | 23.3 | Very low | 99 Ų | 99 | 145.9 Ų | 145.9 | 64% | 0.643 | 77% | 0.77 | S | S | * | * | -125 | -163.3 | -64.6 | 38.8 | -23.3 | 0 | 0 | 0 | 109.7 | V897 | P895-V897 HydrophobicContact CG-CG2 4.41Š| |||
| 896 | P | 30.1 | Very low | 23.3 | Very low | 132 Ų | 132 | 140 Ų | 140 | 86% | 0.857 | 76% | 0.759 | S | S | * | * | trans | -123 | 147.4 | 134.6 | 35 | -29.1 | 0 | 0 | 0 | 112.5 | ||||
| 897 | V | 20.2 | Very low | 23.1 | Very low | 112 Ų | 112 | 142.4 Ų | 142.4 | 68% | 0.679 | 77% | 0.765 | S | S | * | * | trans | -118.9 | 131.9 | 174.9 | 171.5 | 0 | 0 | 0 | 0 | 108.4 | P895 | P895-V897 HydrophobicContact CG-CG2 4.41Š| ||
| 898 | F | 26.3 | Very low | 23.2 | Very low | 212 Ų | 212 | 138.8 Ų | 138.8 | 93% | 0.93 | 76% | 0.762 | S | S | * | * | trans | -148.1 | 126.7 | 151.2 | -103 | -73.8 | 0 | 0 | 0 | 110.7 | ||||
| 899 | T | 23.6 | Very low | 23.2 | Very low | 110 Ų | 110 | 136.7 Ų | 136.7 | 68% | 0.675 | 76% | 0.759 | S | S | * | * | trans | -103.9 | 155.7 | 161.3 | 53.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 900 | P | 26.2 | Very low | 23.1 | Very low | 115 Ų | 115 | 131 Ų | 131 | 75% | 0.747 | 74% | 0.744 | S | S | * | * | -140.5 | 133.5 | 96.6 | 21 | 1.2 | 0 | 0 | 0 | 113.8 | |||||
| 901 | I | 21.9 | Very low | 23.3 | Very low | 142 Ų | 142 | 134.3 Ų | 134.3 | 73% | 0.728 | 75% | 0.748 | S | S | * | * | 93.8 | 123.8 | 89.5 | -69.1 | 167.7 | 0 | 0 | 0 | 114.3 | |||||
| 902 | N | 21.2 | Very low | 23.6 | Very low | 142 Ų | 142 | 134.3 Ų | 134.3 | 76% | 0.759 | 75% | 0.749 | S | S | * | * | trans | 5.5 | 147.9 | 145.3 | -40.9 | -16.5 | 0 | 0 | 0 | 118.5 | ||||
| 903 | T | 23.9 | Very low | 23.7 | Very low | 124 Ų | 124 | 134.1 Ų | 134.1 | 76% | 0.761 | 75% | 0.747 | S | S | * | * | -155.3 | 131.5 | 52.7 | 37.1 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 904 | S | 21.3 | Very low | 24 | Very low | 92 Ų | 92 | 132 Ų | 132 | 64% | 0.643 | 74% | 0.744 | S | S | * | * | 78 | 130.3 | 72.7 | 85.7 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 905 | D | 21.2 | Very low | 24.1 | Very low | 133 Ų | 133 | 129.8 Ų | 129.8 | 71% | 0.711 | 74% | 0.741 | S | S | * | * | trans | 82.5 | 110.6 | 143.9 | -62.6 | -25.7 | 0 | 0 | 0 | 124.4 | ||||
| 906 | T | 23 | Very low | 23.7 | Very low | 107 Ų | 107 | 133 Ų | 133 | 66% | 0.656 | 75% | 0.751 | S | S | * | * | 99.1 | 147.3 | 120.4 | 61.9 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 907 | F | 21.8 | Very low | 23.3 | Very low | 190 Ų | 190 | 134.2 Ų | 134.2 | 83% | 0.833 | 75% | 0.749 | S | S | * | * | trans | 65.7 | 155.7 | 169.3 | -59.4 | -69.1 | 0 | 0 | 0 | 117 | ||||
| 908 | C | 23.8 | Very low | 23.8 | Very low | 116 Ų | 116 | 133.6 Ų | 133.6 | 78% | 0.784 | 76% | 0.756 | S | S | * | * | cis | -133.9 | 169.3 | 2.6 | -150.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 909 | S | 19.7 | Very low | 23.5 | Very low | 98 Ų | 98 | 132.7 Ų | 132.7 | 69% | 0.685 | 75% | 0.754 | S | S | * | * | trans | -107 | 176.2 | 179.8 | 60.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 910 | S | 20.7 | Very low | 23.6 | Very low | 84 Ų | 84 | 133.3 Ų | 133.3 | 59% | 0.587 | 76% | 0.764 | S | S | * | * | trans | 91.3 | 148.4 | 146.3 | 76.4 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 911 | Y | 22.7 | Very low | 23.3 | Very low | 208 Ų | 208 | 137.1 Ų | 137.1 | 82% | 0.816 | 77% | 0.771 | S | S | * | * | trans | 69.1 | 146.6 | 171 | -52.2 | -69 | 0 | 0 | 0 | 117.7 | ||||
| 912 | T | 27.5 | Very low | 23.6 | Very low | 128 Ų | 128 | 135.1 Ų | 135.1 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | cis | -142.1 | 149.7 | 6 | -24.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 913 | T | 22.2 | Very low | 23.6 | Very low | 116 Ų | 116 | 136 Ų | 136 | 71% | 0.712 | 78% | 0.781 | S | S | * | * | trans | -107.6 | 150 | 168.1 | 47.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 914 | P | 30.3 | Very low | 23.8 | Very low | 125 Ų | 125 | 137.7 Ų | 137.7 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | trans | -95.6 | 143.1 | 159.6 | 34.2 | -28.8 | 0 | 0 | 0 | 111.7 | ||||
| 915 | N | 22.6 | Very low | 23.8 | Very low | 141 Ų | 141 | 142 Ų | 142 | 75% | 0.754 | 79% | 0.791 | S | S | * | * | trans | -101.5 | -173.3 | -178 | -93.1 | -41.6 | 0 | 0 | 0 | 112.8 | ||||
| 916 | I | 26.7 | Very low | 23.9 | Very low | 167 Ų | 167 | 143.5 Ų | 143.5 | 86% | 0.856 | 80% | 0.797 | S | S | * | * | trans | 109.4 | 98.3 | 178 | -60.7 | 158.2 | 0 | 0 | 0 | 110.3 | ||||
| 917 | L | 23.1 | Very low | 24.4 | Very low | 156 Ų | 156 | 143.3 Ų | 143.3 | 82% | 0.817 | 80% | 0.798 | S | S | * | * | cis | 81 | 93.1 | 23.9 | -155.3 | 164.8 | 0 | 0 | 0 | 115.1 | ||||
| 918 | A | 29.2 | Very low | 24.5 | Very low | 99 Ų | 99 | 142.1 Ų | 142.1 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | -163 | 145.5 | 148 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 919 | Q | 20.5 | Very low | 24.8 | Very low | 193 Ų | 193 | 145.2 Ų | 145.2 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | trans | -123.6 | 144.7 | 171.3 | -63.7 | 170.6 | -21.1 | 0 | 0 | 108.7 | ||||
| 920 | S | 26.4 | Very low | 25.2 | Very low | 124 Ų | 124 | 147.8 Ų | 147.8 | 87% | 0.867 | 80% | 0.804 | S | S | * | * | trans | -177.5 | 144.8 | 148.2 | 55.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 921 | E | 20.1 | Very low | 25.6 | Very low | 195 Ų | 195 | 151.4 Ų | 151.4 | 91% | 0.911 | 82% | 0.817 | S | S | * | * | trans | -87.1 | 148.4 | 172.1 | -56.8 | 154.9 | 123.8 | 0 | 0 | 111.2 | ||||
| 922 | A | 28.1 | Very low | 26.1 | Very low | 99 Ų | 99 | 146.9 Ų | 146.9 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -169.8 | 136.1 | 154.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 923 | D | 21 | Very low | 26.4 | Very low | 161 Ų | 161 | 148.2 Ų | 148.2 | 86% | 0.861 | 80% | 0.802 | S | S | * | * | trans | -80.8 | 118.7 | 170.6 | -93.6 | -63 | 0 | 0 | 0 | 112.2 | ||||
| 924 | I | 28.4 | Very low | 27 | Very low | 159 Ų | 159 | 148.2 Ų | 148.2 | 82% | 0.815 | 80% | 0.797 | S | S | * | * | trans | -135.9 | 129.1 | 155.8 | -60.6 | -175.5 | 0 | 0 | 0 | 110.6 | ||||
| 925 | K | 21.4 | Very low | 27.4 | Very low | 184 Ų | 184 | 146 Ų | 146 | 80% | 0.8 | 79% | 0.785 | S | S | * | * | trans | -94.4 | 122.9 | 172.6 | -63.4 | 163.8 | -176.6 | 159.2 | 0 | 109.9 | ||||
| 926 | L | 23.4 | Very low | 28.5 | Very low | 163 Ų | 163 | 144.7 Ų | 144.7 | 85% | 0.853 | 78% | 0.777 | S | S | * | * | trans | 161.4 | 165.1 | 147.3 | -110.2 | 72.7 | 0 | 0 | 0 | 109.5 | ||||
| 927 | P | 32 | Very low | 28.9 | Very low | 103 Ų | 103 | 142.2 Ų | 142.2 | 67% | 0.669 | 76% | 0.764 | S | S | * | * | cis | -121.1 | 165.3 | -48 | 34.2 | -19.5 | 0 | 0 | 0 | 111.8 | Q929 | P927-Q929 PolarHBondContact O-N 3.2Š| ||
| 928 | N | 25.4 | Very low | 29.6 | Very low | 166 Ų | 166 | 140.8 Ų | 140.8 | 89% | 0.888 | 75% | 0.753 | S | S | * | * | trans | -72.3 | 108.6 | 173.7 | -65 | -74.4 | 0 | 0 | 0 | 111.8 | ||||
| 929 | Q | 28.7 | Very low | 30.2 | Very low | 181 Ų | 181 | 142.1 Ų | 142.1 | 85% | 0.846 | 75% | 0.747 | S | S | * | * | trans | -91.3 | 120.6 | 155.8 | -73.2 | -169.9 | -9 | 0 | 0 | 109.3 | P927 L931 | P927-Q929 PolarHBondContact O-N 3.2Å; Q929-L931 PolarHBondContact O-N 3.36Å | ||
| 930 | E | 28.6 | Very low | 31.4 | Very low | 151 Ų | 151 | 138.5 Ų | 138.5 | 71% | 0.706 | 73% | 0.733 | S | S | * | * | trans | -76.5 | 114.9 | 177.8 | -69.7 | -161.9 | 127.3 | 0 | 0 | 110.6 | K728 N932 | K728-E930 IonicContact NZ-OE1 2.7Å; K728-E930 PolarHBondContact NZ-OE1 3.19Å; E930-N932 PolarHBondContact O-N 3.4Å | ||
| 931 | L | 30.2 | Very low | 31.7 | Very low | 161 Ų | 161 | 142.6 Ų | 142.6 | 84% | 0.843 | 73% | 0.731 | S | S | * | * | trans | -57.6 | 109.1 | 176.7 | -78.5 | 164.9 | 0 | 0 | 0 | 111.4 | Q929 F933 | Q929-L931 PolarHBondContact O-N 3.36Å; L931-F933 PolarHBondContact O-N 2.94Å; L931-F933 VanDerWaalsContact O-N 3.11Å | ||
| 932 | N | 32.7 | Very low | 32.3 | Very low | 113 Ų | 113 | 140.3 Ų | 140.3 | 60% | 0.604 | 72% | 0.719 | S | S | * | * | trans | -77.9 | 96 | -176.6 | -174.3 | -3.4 | 0 | 0 | 0 | 111.5 | E930 N934 S935 | E930-N932 PolarHBondContact O-N 3.4Å; N932-N934 PolarHBondContact O-N 3.48Å; N932-N934 WeakPolarHBondContact OD1-CB 3.35Å; N932-N934 PolarHBondContact OD1-N 3.07Å; N932-N934 PolarHBondContact OD1-ND2 2.79Å; N932-S935 PolarHBondContact O-N 2.76Å; N932-S935 VanDerWaalsContact O-N 3.13Å | ||
| 933 | F | 33 | Very low | 32.9 | Very low | 156 Ų | 156 | 142.9 Ų | 142.9 | 68% | 0.684 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.1 | -14.8 | -179 | -91.3 | -91.9 | 0 | 0 | 0 | 115.6 | L931 S935 I936 | L931-F933 PolarHBondContact O-N 2.94Å; L931-F933 VanDerWaalsContact O-N 3.11Å; F933-S935 PolarHBondContact O-N 3.39Å; F933-I936 PolarHBondContact O-N 3.24Å |
| 934 | N | 35.4 | Very low | 33.7 | Very low | 115 Ų | 115 | 139.4 Ų | 139.4 | 62% | 0.615 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -63.5 | -25.5 | 175.5 | -65.9 | -20.5 | 0 | 0 | 0 | 112.7 | N932 I936 H938 | N932-N934 PolarHBondContact O-N 3.48Å; N932-N934 WeakPolarHBondContact OD1-CB 3.35Å; N932-N934 PolarHBondContact OD1-N 3.07Å; N932-N934 PolarHBondContact OD1-ND2 2.79Å; N934-I936 PolarHBondContact O-N 3.42Å; N934-H938 PolarHBondContact O-N 2.95Å |
| 935 | S | 39 | Very low | 34 | Very low | 80 Ų | 80 | 139.4 Ų | 139.4 | 56% | 0.559 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -62.3 | -40.6 | 176.7 | -176 | 0 | 0 | 0 | 0 | 112.6 | N932 F933 H938 | N932-S935 PolarHBondContact O-N 2.76Å; N932-S935 VanDerWaalsContact O-N 3.13Å; F933-S935 PolarHBondContact O-N 3.39Å; S935-H938 PolarHBondContact O-N 2.96Å |
| 936 | I | 45.1 | Very low | 34.4 | Very low | 112 Ų | 112 | 139.2 Ų | 139.2 | 57% | 0.574 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -74.8 | -35.1 | -175 | -59.9 | 175.6 | 0 | 0 | 0 | 111.6 | F933 N934 H938 | F933-I936 PolarHBondContact O-N 3.24Å; N934-I936 PolarHBondContact O-N 3.42Å; I936-H938 VanDerWaalsContact C-N 3.32Å; I936-H938 PolarHBondContact O-N 3.16Å |
| 937 | L | 36.2 | Very low | 34.7 | Very low | 115 Ų | 115 | 138.6 Ų | 138.6 | 60% | 0.602 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -71.9 | -24.7 | 177 | -82.7 | 164.7 | 0 | 0 | 0 | 113.1 | N939 | L937-N939 VanDerWaalsContact C-N 3.32Å; L937-N939 PolarHBondContact O-N 3.24Å |
| 938 | H | 37.4 | Very low | 34.6 | Very low | 126 Ų | 126 | 142.6 Ų | 142.6 | 58% | 0.583 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -70.3 | -28.4 | -179.7 | -147.2 | -72.4 | 0 | 0 | 0 | 112.9 | N934 S935 I936 I940 | N934-H938 PolarHBondContact O-N 2.95Å; S935-H938 PolarHBondContact O-N 2.96Å; I936-H938 VanDerWaalsContact C-N 3.32Å; I936-H938 PolarHBondContact O-N 3.16Å; H938-I940 VanDerWaalsContact C-N 3.34Å; H938-I940 PolarHBondContact O-N 3.48Å |
| 939 | N | 41.5 | Very low | 34.8 | Very low | 127 Ų | 127 | 142.7 Ų | 142.7 | 68% | 0.679 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | -9.3 | -178 | -70.4 | -5.9 | 0 | 0 | 0 | 114.2 | L937 | L937-N939 VanDerWaalsContact C-N 3.32Å; L937-N939 PolarHBondContact O-N 3.24Å |
| 940 | I | 45.6 | Very low | 34.7 | Very low | 118 Ų | 118 | 142.9 Ų | 142.9 | 61% | 0.605 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | -21 | 178.4 | -63.8 | 177.5 | 0 | 0 | 0 | 111.9 | H938 | H938-I940 VanDerWaalsContact C-N 3.34Å; H938-I940 PolarHBondContact O-N 3.48Å |
| 941 | Y | 33.3 | Very low | 34.9 | Very low | 210 Ų | 210 | 141.5 Ų | 141.5 | 82% | 0.824 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -92 | 8.3 | -178.4 | -87.8 | -78.7 | 0 | 0 | 0 | 115 | ||
| 942 | H | 31.4 | Very low | 34.5 | Very low | 146 Ų | 146 | 141.2 Ų | 141.2 | 68% | 0.676 | 71% | 0.707 | S | S | * | * | trans | -112.7 | 25.4 | -173.7 | -101.3 | -81.6 | 0 | 0 | 0 | 115.6 | ||||
| 943 | L | 41.1 | Very low | 34.3 | Very low | 153 Ų | 153 | 141.2 Ų | 141.2 | 80% | 0.801 | 71% | 0.713 | S | S | * | * | trans | -79.9 | 118.5 | 168.2 | -85.8 | 155.8 | 0 | 0 | 0 | 110.8 | I945 | L943-I945 PolarHBondContact O-N 3.5Å; L943-I945 VanDerWaalsContact O-N 3.12Å | ||
| 944 | P | 37.1 | Very low | 34 | Very low | 88 Ų | 88 | 138.7 Ų | 138.7 | 57% | 0.571 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -88.5 | 83 | -162.9 | 34.6 | -36.8 | 0 | 0 | 0 | 113.8 | Q947 | P944-Q947 HydrophobicContact CB-CG 4.34Š|
| 945 | I | 34.9 | Very low | 33.5 | Very low | 160 Ų | 160 | 138.1 Ų | 138.1 | 82% | 0.821 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -115 | 1.9 | 169.2 | -61.6 | -178.8 | 0 | 0 | 0 | 112.1 | L943 | L943-I945 PolarHBondContact O-N 3.5Å; L943-I945 VanDerWaalsContact O-N 3.12Å |
| 946 | M | 30.2 | Very low | 32.9 | Very low | 179 Ų | 179 | 141.1 Ų | 141.1 | 88% | 0.882 | 72% | 0.724 | S | S | * | * | trans | -119.9 | 36.6 | 179.2 | -77 | -71.4 | -66.6 | 0 | 0 | 113.3 | ||||
| 947 | Q | 30.2 | Very low | 31.9 | Very low | 150 Ų | 150 | 141.8 Ų | 141.8 | 70% | 0.701 | 73% | 0.729 | S | S | * | * | trans | -85.5 | -8.8 | 178.6 | -78.1 | -164.4 | -10.9 | 0 | 0 | 115.2 | P944 M949 | P944-Q947 HydrophobicContact CB-CG 4.34Å; Q947-M949 PolarHBondContact O-N 2.74Å | ||
| 948 | H | 30 | Very low | 31.4 | Very low | 187 Ų | 187 | 141.9 Ų | 141.9 | 87% | 0.866 | 73% | 0.729 | S | S | * | * | trans | -85.3 | 88 | 171 | -96.6 | -85 | 0 | 0 | 0 | 111.8 | ||||
| 949 | M | 29.1 | Very low | 30.7 | Very low | 168 Ų | 168 | 143.1 Ų | 143.1 | 83% | 0.828 | 74% | 0.736 | S | S | * | * | trans | 172.2 | 60.5 | 144.5 | -92.6 | -67.8 | 151.8 | 0 | 0 | 109.9 | Q947 T951 | Q947-M949 PolarHBondContact O-N 2.74Å; M949-T951 PolarHBondContact O-N 3.19Å | ||
| 950 | K | 26.9 | Very low | 30 | Very low | 186 Ų | 186 | 146.8 Ų | 146.8 | 81% | 0.809 | 74% | 0.741 | S | S | * | * | trans | -82.4 | 96.8 | 169.3 | -84.1 | -174.6 | 175.2 | 178.1 | 0 | 110.3 | ||||
| 951 | T | 32.9 | Very low | 29.1 | Very low | 121 Ų | 121 | 147.7 Ų | 147.7 | 74% | 0.742 | 75% | 0.748 | S | S | * | * | trans | -140.1 | 86.9 | 161.3 | 53 | 0 | 0 | 0 | 0 | 110 | M949 | M949-T951 PolarHBondContact O-N 3.19Š| ||
| 952 | L | 20.5 | Very low | 28.6 | Very low | 156 Ų | 156 | 147.6 Ų | 147.6 | 82% | 0.817 | 75% | 0.746 | S | S | * | * | trans | -79.4 | 146.4 | 159.2 | -81.2 | 82.1 | 0 | 0 | 0 | 108.4 | ||||
| 953 | P | 29 | Very low | 28.3 | Very low | 112 Ų | 112 | 147.1 Ų | 147.1 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | -108.4 | 130.5 | 105.6 | -14.7 | 32.3 | 0 | 0 | 0 | 112.3 | |||||
| 954 | T | 28 | Very low | 27.5 | Very low | 104 Ų | 104 | 145.7 Ų | 145.7 | 64% | 0.638 | 75% | 0.746 | S | S | * | * | 56.1 | 103.6 | 104.4 | 65.4 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 955 | S | 23.9 | Very low | 26.9 | Very low | 103 Ų | 103 | 147.5 Ų | 147.5 | 72% | 0.72 | 76% | 0.755 | S | S | * | * | 71.6 | 148.8 | 80.3 | 79.2 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 956 | I | 25.5 | Very low | 26.5 | Very low | 142 Ų | 142 | 147 Ų | 147 | 73% | 0.728 | 76% | 0.76 | S | S | * | * | cis | -160.7 | 160.3 | 14 | -141.3 | 162 | 0 | 0 | 0 | 111 | ||||
| 957 | N | 26 | Very low | 26.1 | Very low | 127 Ų | 127 | 141.6 Ų | 141.6 | 68% | 0.679 | 75% | 0.751 | S | S | * | * | trans | 51 | 131.2 | 155.4 | -63.7 | -1.5 | 0 | 0 | 0 | 125.4 | ||||
| 958 | N | 25 | Very low | 25.9 | Very low | 116 Ų | 116 | 140.7 Ų | 140.7 | 62% | 0.62 | 76% | 0.755 | S | S | * | * | 76.7 | 120.1 | 124.3 | -65.7 | 31.5 | 0 | 0 | 0 | 125.2 | |||||
| 959 | E | 23.5 | Very low | 25.6 | Very low | 153 Ų | 153 | 137.3 Ų | 137.3 | 72% | 0.715 | 75% | 0.748 | S | S | * | * | 74 | 131 | 122.3 | -63.1 | 178 | 120 | 0 | 0 | 123.7 | |||||
| 960 | Y | 25.2 | Very low | 25.5 | Very low | 203 Ų | 203 | 136.5 Ų | 136.5 | 80% | 0.796 | 75% | 0.745 | S | S | * | * | trans | 11.3 | 118.9 | 140.8 | -67.9 | -93.8 | 0 | 0 | 0 | 117.2 | ||||
| 961 | N | 26.7 | Very low | 25.3 | Very low | 138 Ų | 138 | 131.5 Ų | 131.5 | 74% | 0.738 | 73% | 0.734 | S | S | * | * | -167.9 | 172.4 | 72.1 | -108.7 | -55.6 | 0 | 0 | 0 | 116.9 | |||||
| 962 | R | 24.5 | Very low | 25.1 | Very low | 207 Ų | 207 | 132.6 Ų | 132.6 | 78% | 0.781 | 74% | 0.736 | S | S | * | * | trans | -13.3 | 151.6 | 162.7 | -89.3 | 179.8 | 179.7 | 167.7 | 2.7 | 123.2 | ||||
| 963 | D | 24.3 | Very low | 25.6 | Very low | 136 Ų | 136 | 132.7 Ų | 132.7 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | trans | 75.1 | 123.2 | 137.7 | -57.3 | -14.5 | 0 | 0 | 0 | 121.4 | ||||
| 964 | T | 24.1 | Very low | 25.6 | Very low | 124 Ų | 124 | 134.7 Ų | 134.7 | 76% | 0.761 | 74% | 0.742 | S | S | * | * | trans | -52.3 | 136.8 | 163.5 | 48.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 965 | T | 24.7 | Very low | 26.6 | Very low | 125 Ų | 125 | 134 Ų | 134 | 77% | 0.767 | 74% | 0.738 | S | S | * | * | 178.9 | 164.5 | 114.9 | 26.8 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 966 | T | 26.4 | Very low | 26.7 | Very low | 149 Ų | 149 | 135.7 Ų | 135.7 | 91% | 0.914 | 74% | 0.739 | S | S | * | * | trans | 64.7 | 147.7 | 178 | 72.4 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 967 | G | 22.4 | Very low | 26.8 | Very low | 67 Ų | 67 | 135.6 Ų | 135.6 | 69% | 0.691 | 74% | 0.74 | S | S | * | * | trans | -148 | 169.1 | 175 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 968 | T | 25 | Very low | 26.7 | Very low | 130 Ų | 130 | 135.7 Ų | 135.7 | 80% | 0.798 | 74% | 0.739 | S | S | * | * | trans | -157 | 156.7 | -178.6 | -6.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 969 | T | 24 | Very low | 26.8 | Very low | 117 Ų | 117 | 137.9 Ų | 137.9 | 72% | 0.718 | 75% | 0.75 | S | S | * | * | trans | 67.1 | 132.6 | 152.1 | 46.1 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 970 | I | 26.9 | Very low | 26.9 | Very low | 150 Ų | 150 | 135.5 Ų | 135.5 | 77% | 0.769 | 75% | 0.75 | S | S | * | * | trans | 69.9 | 97.5 | 140.4 | -63.8 | 164.9 | 0 | 0 | 0 | 115.7 | ||||
| 971 | S | 23.8 | Very low | 26.8 | Very low | 82 Ų | 82 | 133.3 Ų | 133.3 | 57% | 0.573 | 75% | 0.752 | S | S | * | * | cis | 88.8 | 115.2 | 46.5 | 77.8 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 972 | N | 28.6 | Very low | 27 | Very low | 144 Ų | 144 | 132.7 Ų | 132.7 | 77% | 0.77 | 76% | 0.755 | S | S | * | * | 177.7 | 163.1 | 109.9 | -88.1 | -22.4 | 0 | 0 | 0 | 113.3 | |||||
| 973 | N | 30 | Very low | 27 | Very low | 157 Ų | 157 | 126.5 Ų | 126.5 | 84% | 0.84 | 75% | 0.748 | S | S | * | * | trans | 70.6 | 65.1 | 166.7 | -59.8 | 1.8 | 0 | 0 | 0 | 118.4 | ||||
| 974 | N | 28.8 | Very low | 27.4 | Very low | 155 Ų | 155 | 127.8 Ų | 127.8 | 83% | 0.829 | 76% | 0.755 | S | S | * | * | trans | -59.1 | -177.2 | 144.4 | -113.4 | -0.9 | 0 | 0 | 0 | 112.3 | ||||
| 975 | P | 49.2 | Very low | 27.5 | Very low | 88 Ų | 88 | 127.9 Ų | 127.9 | 57% | 0.571 | 76% | 0.755 | S | S | * | * | cis | -142.1 | -147.3 | -26.3 | 37.5 | -15.2 | 0 | 0 | 0 | 113.3 | ||||
| 976 | L | 26.2 | Very low | 27.9 | Very low | 140 Ų | 140 | 130.3 Ų | 130.3 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | trans | 90 | 116.3 | 166.7 | -51.9 | -176.4 | 0 | 0 | 0 | 115.6 | ||||
| 977 | N | 28 | Very low | 27.9 | Very low | 139 Ų | 139 | 130 Ų | 130 | 74% | 0.743 | 76% | 0.756 | S | S | * | * | cis | -130 | 153.8 | -4.7 | -64.7 | -42.2 | 0 | 0 | 0 | 107.9 | ||||
| 978 | I | 23.2 | Very low | 28.3 | Very low | 130 Ų | 130 | 134.6 Ų | 134.6 | 67% | 0.667 | 76% | 0.764 | S | S | * | * | cis | 74.4 | 82.4 | 28.2 | -47 | -177.7 | 0 | 0 | 0 | 115.2 | ||||
| 979 | L | 27.9 | Very low | 28.4 | Very low | 161 Ų | 161 | 131.4 Ų | 131.4 | 84% | 0.843 | 76% | 0.757 | S | S | * | * | trans | -178.3 | 117.1 | 133.5 | -115.2 | 75.7 | 0 | 0 | 0 | 104.8 | ||||
| 980 | S | 25.2 | Very low | 29.1 | Very low | 104 Ų | 104 | 136.2 Ų | 136.2 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | cis | 96.2 | 139.1 | 49.6 | -67.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 981 | L | 23.2 | Very low | 28.9 | Very low | 157 Ų | 157 | 136.1 Ų | 136.1 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | trans | -76.3 | 162.1 | -168.7 | -77.1 | 69.4 | 0 | 0 | 0 | 112.9 | A983 | L981-A983 HydrophobicContact CB-CB 4.47Š| ||
| 982 | P | 30.5 | Very low | 29.2 | Very low | 125 Ų | 125 | 142.1 Ų | 142.1 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | -117.4 | 138.4 | 89 | 34.9 | -33.7 | 0 | 0 | 0 | 111.9 | |||||
| 983 | A | 25.5 | Very low | 29.3 | Very low | 76 Ų | 76 | 140.2 Ų | 140.2 | 63% | 0.628 | 78% | 0.779 | S | S | * | * | cis | 73.1 | 90.6 | 45.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L981 | L981-A983 HydrophobicContact CB-CB 4.47Š| ||
| 984 | N | 31.2 | Very low | 29.4 | Very low | 163 Ų | 163 | 139.8 Ų | 139.8 | 87% | 0.872 | 78% | 0.782 | S | S | * | * | trans | -151.4 | 155.3 | 151.1 | -129 | -29.8 | 0 | 0 | 0 | 111.5 | ||||
| 985 | T | 27 | Very low | 29.3 | Very low | 126 Ų | 126 | 140.8 Ų | 140.8 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | trans | -108.5 | 130.1 | -156.5 | 54.2 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 986 | L | 33.7 | Very low | 28.1 | Very low | 177 Ų | 177 | 141.6 Ų | 141.6 | 93% | 0.927 | 79% | 0.789 | S | S | * | * | -152.5 | 137.6 | 125.2 | -148.3 | 70.7 | 0 | 0 | 0 | 110.6 | |||||
| 987 | N | 26.2 | Very low | 28.4 | Very low | 143 Ų | 143 | 140.6 Ų | 140.6 | 77% | 0.765 | 79% | 0.789 | S | S | * | * | trans | -133.5 | 169.6 | -176.2 | -156.8 | -9 | 0 | 0 | 0 | 110 | ||||
| 988 | N | 31.2 | Very low | 28.5 | Very low | 163 Ų | 163 | 141.5 Ų | 141.5 | 87% | 0.872 | 79% | 0.792 | S | S | * | * | trans | 83.8 | 118.8 | -168.1 | -52.6 | -40.2 | 0 | 0 | 0 | 114.5 | ||||
| 989 | G | 27.3 | Very low | 29 | Very low | 62 Ų | 62 | 141.2 Ų | 141.2 | 64% | 0.639 | 80% | 0.798 | S | S | * | * | cis | 147.9 | 118.3 | -13.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 990 | K | 36.7 | Very low | 29.2 | Very low | 218 Ų | 218 | 140 Ų | 140 | 95% | 0.948 | 80% | 0.798 | S | S | * | * | trans | -171.5 | 104.8 | 149.2 | -104.1 | 141 | -167.8 | 159.8 | 0 | 111.6 | ||||
| 991 | I | 24.5 | Very low | 29.7 | Very low | 149 Ų | 149 | 141.2 Ų | 141.2 | 76% | 0.764 | 80% | 0.801 | S | S | * | * | trans | -77.5 | 145.6 | 174 | -66.5 | 160.2 | 0 | 0 | 0 | 109.9 | ||||
| 992 | F | 28.7 | Very low | 30 | Very low | 208 Ų | 208 | 141 Ų | 141 | 91% | 0.912 | 80% | 0.8 | S | S | * | * | trans | -167.3 | 127.8 | 133.4 | -101.9 | -67.4 | 0 | 0 | 0 | 110 | ||||
| 993 | P | 31.5 | Very low | 30.2 | Very low | 104 Ų | 104 | 142.5 Ų | 142.5 | 68% | 0.675 | 80% | 0.799 | S | S | * | * | trans | -97.5 | 164.1 | -171.2 | 38 | -35.9 | 0 | 0 | 0 | 114 | ||||
| 994 | V | 31.1 | Very low | 30.6 | Very low | 147 Ų | 147 | 146.4 Ų | 146.4 | 89% | 0.891 | 81% | 0.805 | S | S | * | * | trans | -137.2 | 137 | 160.8 | -179 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 995 | H | 27.6 | Very low | 30.7 | Very low | 176 Ų | 176 | 147.8 Ų | 147.8 | 82% | 0.815 | 80% | 0.803 | S | S | * | * | trans | -56.6 | 144.8 | -165.7 | -91.8 | -97.7 | 0 | 0 | 0 | 118.1 | ||||
| 996 | S | 23.1 | Very low | 31.1 | Very low | 106 Ų | 106 | 151.3 Ų | 151.3 | 74% | 0.741 | 81% | 0.808 | S | S | * | * | trans | -81.5 | 141.8 | 146.9 | 49.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 997 | T | 32.7 | Very low | 31.2 | Very low | 118 Ų | 118 | 149.8 Ų | 149.8 | 72% | 0.724 | 80% | 0.801 | S | S | * | * | trans | -146 | 98.9 | 156.4 | 41.9 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 998 | I | 30.7 | Very low | 32 | Very low | 158 Ų | 158 | 148 Ų | 148 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | 78.8 | 127.3 | 100.9 | -71.1 | 167 | 0 | 0 | 0 | 112.4 | |||||
| 999 | P | 34.2 | Very low | 32.5 | Very low | 124 Ų | 124 | 148.6 Ų | 148.6 | 81% | 0.805 | 79% | 0.79 | S | S | * | * | trans | -93.5 | 153.5 | -153.9 | 36.5 | -37 | 0 | 0 | 0 | 115 | ||||
| 1000 | T | 31.6 | Very low | 33.4 | Very low | 137 Ų | 137 | 155.3 Ų | 155.3 | 84% | 0.84 | 80% | 0.802 | S | S | * | * | trans | -84.4 | 131.8 | 169.2 | -44.8 | 0 | 0 | 0 | 0 | 110.7 | L1002 | T1000-L1002 PolarHBondContact O-N 3.07Š| ||
| 1001 | T | 34.7 | Very low | 34.1 | Very low | 129 Ų | 129 | 151.5 Ų | 151.5 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | trans | -64.2 | 111.8 | -179.2 | 40.9 | 0 | 0 | 0 | 0 | 112.1 | I1003 | T1001-I1003 PolarHBondContact O-N 3.16Š| ||
| 1002 | L | 30.6 | Very low | 35.5 | Very low | 151 Ų | 151 | 148.5 Ų | 148.5 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | trans | -83.4 | 100.3 | -175.7 | -167.4 | 130.4 | 0 | 0 | 0 | 110.6 | T1000 Q1004 | T1000-L1002 PolarHBondContact O-N 3.07Å; L1002-Q1004 PolarHBondContact O-N 3.15Å | ||
| 1003 | I | 34.7 | Very low | 37.2 | Very low | 157 Ų | 157 | 142.3 Ų | 142.3 | 81% | 0.805 | 77% | 0.77 | S | S | * | * | trans | -62.6 | 102.1 | 178.7 | -60.2 | 175.6 | 0 | 0 | 0 | 109.7 | T1001 K1005 | T1001-I1003 PolarHBondContact O-N 3.16Å; I1003-K1005 PolarHBondContact O-N 3.3Å; I1003-K1005 VanDerWaalsContact O-N 3.17Å | ||
| 1004 | Q | 33.6 | Very low | 39.4 | Very low | 159 Ų | 159 | 146.9 Ų | 146.9 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | trans | -69 | 108.6 | 177.2 | -65 | -176.5 | 1.5 | 0 | 0 | 110.5 | L1002 K1006 | L1002-Q1004 PolarHBondContact O-N 3.15Å; Q1004-K1006 PolarHBondContact O-N 2.04Å | ||
| 1005 | K | 34.1 | Very low | 42.2 | Very low | 191 Ų | 191 | 144.8 Ų | 144.8 | 83% | 0.83 | 76% | 0.763 | S | S | * | * | trans | -67.2 | 104.8 | 162.2 | -78.3 | -169 | 173.1 | -172.8 | 0 | 108.7 | I1003 N1007 | I1003-K1005 PolarHBondContact O-N 3.3Å; I1003-K1005 VanDerWaalsContact O-N 3.17Å; K1005-N1007 PolarHBondContact O-N 2.47Å | ||
| 1006 | K | 34.8 | Very low | 45.2 | Very low | 200 Ų | 200 | 139.7 Ų | 139.7 | 87% | 0.87 | 74% | 0.74 | S | S | * | * | trans | -58.4 | 119.4 | 175.8 | -67.8 | -179.2 | 177.7 | 178.7 | 0 | 109.6 | Q1004 S1008 | Q1004-K1006 PolarHBondContact O-N 2.04Å; K1006-S1008 PolarHBondContact O-N 3.26Å | ||
| 1007 | N | 35.9 | Very low | 48.4 | Very low | 146 Ų | 146 | 137.6 Ų | 137.6 | 78% | 0.781 | 72% | 0.724 | S | S | * | * | trans | -72.8 | 105.8 | 176 | -74.4 | -37.4 | 0 | 0 | 0 | 109.7 | K1005 Y1009 | K1005-N1007 PolarHBondContact O-N 2.47Å; N1007-Y1009 PolarHBondContact O-N 2.26Å | ||
| 1008 | S | 42.3 | Very low | 51.3 | Low | 104 Ų | 104 | 132.5 Ų | 132.5 | 73% | 0.727 | 69% | 0.692 | S | S | * | * | trans | -73.8 | 92.8 | 173 | -164.9 | 0 | 0 | 0 | 0 | 110.2 | K1006 | K1006-S1008 PolarHBondContact O-N 3.26Š| ||
| 1009 | Y | 42.6 | Very low | 54.1 | Low | 176 Ų | 176 | 129.9 Ų | 129.9 | 69% | 0.69 | 69% | 0.686 | S | S | * | * | trans | -143.4 | 11.3 | -178.8 | -114.6 | -77.8 | 0 | 0 | 0 | 113.5 | N1007 | N1007-Y1009 PolarHBondContact O-N 2.26Š| ||
| 1010 | K | 46.8 | Very low | 56.7 | Low | 204 Ų | 204 | 126.8 Ų | 126.8 | 89% | 0.887 | 66% | 0.662 | S | S | * | * | trans | -86.1 | -21.5 | 178.4 | -73.9 | -163.9 | 171.2 | -169.1 | 0 | 113.6 | A1012 | K1010-A1012 PolarHBondContact O-N 2.76Š| ||
| 1011 | D | 49.8 | Very low | 59.2 | Low | 138 Ų | 138 | 125.1 Ų | 125.1 | 74% | 0.738 | 66% | 0.662 | S | S | * | * | trans | -81.5 | 84.1 | 179.3 | -54.2 | -39.3 | 0 | 0 | 0 | 110.6 | ||||
| 1012 | A | 53.8 | Low | 61.8 | Low | 86 Ų | 86 | 122.9 Ų | 122.9 | 71% | 0.711 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 128.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | K1010 K1014 | K1010-A1012 PolarHBondContact O-N 2.76Å; A1012-K1014 PolarHBondContact O-N 3.31Å |
| 1013 | P | 65.9 | Low | 64.5 | Low | 78 Ų | 78 | 116.6 Ų | 116.6 | 51% | 0.506 | 63% | 0.633 | S | S | . | * | P | Polyproline II helix | trans | -61.9 | 129 | -178.8 | 24.9 | -33.6 | 0 | 0 | 0 | 110.1 | L1015 | P1013-L1015 PolarHBondContact O-N 3.37Å; P1013-L1015 VanDerWaalsContact O-N 3.13Å |
| 1014 | K | 77.7 | Confident | 67.1 | Low | 200 Ų | 200 | 117.1 Ų | 117.1 | 87% | 0.87 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -50 | 119.2 | -179.3 | -66.8 | -175.7 | 179.4 | -177.7 | 0 | 109.8 | A1012 | A1012-K1014 PolarHBondContact O-N 3.31Š|
| 1015 | L | 89 | Confident | 70 | Confident | 103 Ų | 103 | 114.5 Ų | 114.5 | 54% | 0.539 | 62% | 0.62 | S | S | . | * | P | Polyproline II helix | trans | -71 | 132.2 | -179.5 | -64.9 | 177.1 | 0 | 0 | 0 | 110.1 | P1013 K1026 P1028 | P1013-L1015 PolarHBondContact O-N 3.37Å; P1013-L1015 VanDerWaalsContact O-N 3.13Å; L1015-K1026 HydrophobicContact CB-CB 4.16Å; L1015-K1026 HydrophobicContact CD1-CB 4.32Å; L1015-P1028 HydrophobicContact CD2-CB 4.02Å |
| 1016 | I | 90.2 | Very high | 72.7 | Confident | 68 Ų | 68 | 111.8 Ų | 111.8 | 35% | 0.349 | 61% | 0.608 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.8 | 113.5 | -179.4 | -41.3 | 177 | 0 | 0 | 0 | 108.4 | F1027 N1030 L1033 | I1016-F1027 PolarHBondContact N-O 3.31Å; I1016-F1027 PolarHBondContact O-N 3.16Å; I1016-N1030 HydrophobicContact CD1-CB 4.08Å; I1016-L1033 HydrophobicContact CB-CD2 4.32Å; I1016-L1033 HydrophobicContact CG2-CD2 3.58Å |
| 1017 | T | 91.7 | Very high | 75.5 | Confident | 63 Ų | 63 | 103.7 Ų | 103.7 | 39% | 0.387 | 57% | 0.573 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -71.5 | 154.8 | 176.3 | -41.2 | 0 | 0 | 0 | 0 | 111 | Q1025 K1026 | T1017-Q1025 CarbonylContact C-O 3.56Å; T1017-Q1025 WeakPolarHBondContact CA-O 2.86Å; T1017-K1026 HydrophobicContact CG2-CG 4.03Å |
| 1018 | C | 93.6 | Very high | 78.1 | Confident | 10 Ų | 10 | 98.9 Ų | 98.9 | 7% | 0.068 | 55% | 0.549 | C | S | . | . | trans | -65.6 | 136.1 | 165.6 | -161.1 | 0 | 0 | 0 | 0 | 110.6 | I1020 C1023 Q1025 L1033 H1036 | C1018-I1020 VanDerWaalsContact C-N 3.25Å; C1018-I1020 PolarHBondContact O-N 2.95Å; C1018-C1023 HydrophobicContact CB-CB 4.37Å; C1018-C1023 WeakPolarHBondContact CB-O 3.38Å; C1018-Q1025 PolarHBondContact N-O 3.5Å; C1018-L1033 HydrophobicContact CB-CD1 4.01Å; C1018-H1036 PolarHBondContact SG-CD2 3.25Å | ||
| 1019 | P | 89.1 | Confident | 80.4 | Confident | 104 Ų | 104 | 100.1 Ų | 100.1 | 68% | 0.675 | 54% | 0.538 | S | S | * | . | trans | -79.7 | -5.9 | 177 | 32.9 | -36.4 | 0 | 0 | 0 | 113.4 | I1037 | P1019-I1037 HydrophobicContact CG-CD1 4.25Š| ||
| 1020 | I | 87.7 | Confident | 82.6 | Confident | 59 Ų | 59 | 95.8 Ų | 95.8 | 30% | 0.303 | 53% | 0.527 | S | S | . | . | S | Bend | trans | -83.1 | 126.8 | -175.2 | -64.7 | 178 | 0 | 0 | 0 | 109.7 | C1018 C1023 I1037 H1040 | C1018-I1020 VanDerWaalsContact C-N 3.25Å; C1018-I1020 PolarHBondContact O-N 2.95Å; I1020-C1023 PolarHBondContact O-N 3.47Å; I1020-I1037 HydrophobicContact CD1-CG1 4.46Å; I1020-I1037 HydrophobicContact CD1-CG2 4.23Å; I1020-H1040 HydrophobicContact CD1-CB 3.47Å; I1020-H1040 VanDerWaalsContact CD1-CB 3.47Å; I1020-H1040 HydrophobicContact CG2-CB 4.34Å |
| 1021 | A | 84.8 | Confident | 84.5 | Confident | 101 Ų | 101 | 89.9 Ų | 89.9 | 84% | 0.835 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | 143.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | C1023 | A1021-C1023 PolarHBondContact O-N 2.98Å; A1021-C1023 VanDerWaalsContact O-N 3.07Å |
| 1022 | G | 88.7 | Confident | 86.4 | Confident | 83 Ų | 83 | 84.3 Ų | 84.3 | 86% | 0.856 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.4 | -24.4 | -172.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q1024 | G1022-Q1024 PolarHBondContact O-N 3.4Š|
| 1023 | C | 88.8 | Confident | 88.2 | Confident | 19 Ų | 19 | 80.8 Ų | 80.8 | 13% | 0.128 | 45% | 0.453 | C | S | . | . | trans | -95.1 | 86.2 | -174.7 | -156.4 | 0 | 0 | 0 | 0 | 114.5 | C1018 I1020 A1021 Q1025 H1036 H1040 | C1018-C1023 HydrophobicContact CB-CB 4.37Å; C1018-C1023 WeakPolarHBondContact CB-O 3.38Å; I1020-C1023 PolarHBondContact O-N 3.47Å; A1021-C1023 PolarHBondContact O-N 2.98Å; A1021-C1023 VanDerWaalsContact O-N 3.07Å; C1023-Q1025 PolarHBondContact O-N 3.23Å; C1023-H1036 PolarHBondContact SG-CE1 3.2Å; C1023-H1036 PolarHBondContact SG-NE2 2.93Å; C1023-H1040 VanDerWaalsContact CB-CE1 3.41Å; C1023-H1040 WeakPolarHBondContact CB-CE1 3.43Å; C1023-H1040 WeakPolarHBondContact CB-NE2 3.49Å; C1023-H1040 PolarHBondContact SG-CE1 2.85Å; C1023-H1040 PolarHBondContact SG-NE2 3.31Å | ||
| 1024 | Q | 89.3 | Confident | 89.3 | Confident | 168 Ų | 168 | 83.8 Ų | 83.8 | 79% | 0.785 | 46% | 0.458 | S | S | * | . | trans | -74 | 18.1 | -179.7 | -54.5 | -173 | 9.8 | 0 | 0 | 115.3 | G1022 | G1022-Q1024 PolarHBondContact O-N 3.4Š| ||
| 1025 | Q | 92.9 | Very high | 89.5 | Confident | 104 Ų | 104 | 80 Ų | 80 | 49% | 0.486 | 44% | 0.438 | S | S | . | . | trans | -70.1 | 133.2 | -178 | -67.4 | -167 | 29.5 | 0 | 0 | 111.9 | T1017 C1018 C1023 F1027 H1036 | T1017-Q1025 CarbonylContact C-O 3.56Å; T1017-Q1025 WeakPolarHBondContact CA-O 2.86Å; C1018-Q1025 PolarHBondContact N-O 3.5Å; C1023-Q1025 PolarHBondContact O-N 3.23Å; Q1025-F1027 HydrophobicContact CB-CE2 3.6Å; Q1025-F1027 HydrophobicContact CB-CZ 3.65Å; Q1025-F1027 WeakPolarHBondContact O-CE2 3.35Å; Q1025-H1036 VanDerWaalsContact CD-CE1 3.46Å; Q1025-H1036 PolarHBondContact OE1-CE1 3.26Å | ||
| 1026 | K | 92.3 | Very high | 89.5 | Confident | 134 Ų | 134 | 75.7 Ų | 75.7 | 58% | 0.583 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116 | 129.4 | -174.4 | -68.6 | 179.6 | -176.3 | 176.1 | 0 | 111.2 | L1015 T1017 | L1015-K1026 HydrophobicContact CB-CB 4.16Å; L1015-K1026 HydrophobicContact CD1-CB 4.32Å; T1017-K1026 HydrophobicContact CG2-CG 4.03Å |
| 1027 | F | 93 | Very high | 89.3 | Confident | 30 Ų | 30 | 74.8 Ų | 74.8 | 13% | 0.132 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 135.8 | -171.6 | -60.5 | -82.7 | 0 | 0 | 0 | 112.1 | I1016 Q1025 W1029 L1033 H1036 | I1016-F1027 PolarHBondContact N-O 3.31Å; I1016-F1027 PolarHBondContact O-N 3.16Å; Q1025-F1027 HydrophobicContact CB-CE2 3.6Å; Q1025-F1027 HydrophobicContact CB-CZ 3.65Å; Q1025-F1027 WeakPolarHBondContact O-CE2 3.35Å; F1027-W1029 PolarHBondContact O-N 3.37Å; F1027-L1033 HydrophobicContact CB-CB 4.24Å; F1027-L1033 HydrophobicContact CD2-CB 4.04Å; F1027-L1033 HydrophobicContact CD2-CD1 3.97Å; F1027-L1033 HydrophobicContact CE2-CD1 4.22Å; F1027-L1033 HydrophobicContact CG-CB 4.25Å; F1027-H1036 HydrophobicContact CE1-CB 3.98Å; F1027-H1036 HydrophobicContact CE2-CB 3.92Å; F1027-H1036 AromaticContact CE2-CD2 3.26Å; F1027-H1036 WeakPolarHBondContact CE2-CD2 3.38Å; F1027-H1036 AromaticContact CE2-CG 3.65Å; F1027-H1036 AromaticContact CE2-NE2 3.99Å; F1027-H1036 HydrophobicContact CZ-CB 3.45Å; F1027-H1036 VanDerWaalsContact CZ-CB 3.45Å; F1027-H1036 AromaticContact CZ-CD2 3.38Å; F1027-H1036 WeakPolarHBondContact CZ-CD2 3.49Å; F1027-H1036 AromaticContact CZ-CG 3.27Å; F1027-H1036 AromaticContact CZ-ND1 3.9Å |
| 1028 | P | 90.3 | Very high | 89 | Confident | 44 Ų | 44 | 74.2 Ų | 74.2 | 29% | 0.286 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -74.6 | -7.6 | 177.3 | 30.2 | -35.8 | 0 | 0 | 0 | 114.1 | L1015 | L1015-P1028 HydrophobicContact CD2-CB 4.02Š|
| 1029 | W | 90.1 | Very high | 88.5 | Confident | 130 Ų | 130 | 78 Ų | 78 | 49% | 0.492 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -147.6 | 138.5 | -178.2 | -56.9 | -61.8 | 0 | 0 | 0 | 111.8 | F1027 S1031 S1032 L1033 | F1027-W1029 PolarHBondContact O-N 3.37Å; W1029-S1031 VanDerWaalsContact C-N 3.25Å; W1029-S1031 PolarHBondContact O-N 2.96Å; W1029-S1032 PolarHBondContact O-N 3.19Å; W1029-L1033 PolarHBondContact O-N 2.59Å |
| 1030 | N | 88.8 | Confident | 88.2 | Confident | 86 Ų | 86 | 76.6 Ų | 76.6 | 46% | 0.46 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -55.9 | -37.5 | 177.7 | -172.7 | -54 | 0 | 0 | 0 | 112.2 | I1016 S1032 L1033 K1034 | I1016-N1030 HydrophobicContact CD1-CB 4.08Å; N1030-S1032 PolarHBondContact O-N 2.86Å; N1030-L1033 WeakPolarHBondContact O-CB 3.43Å; N1030-L1033 PolarHBondContact O-N 2.73Å; N1030-L1033 VanDerWaalsContact O-N 3.08Å; N1030-K1034 PolarHBondContact O-N 2.78Å; N1030-K1034 VanDerWaalsContact OD1-CE 3.26Å; N1030-K1034 WeakPolarHBondContact OD1-CE 3.38Å; N1030-K1034 WeakPolarHBondContact OD1-CG 3.36Å |
| 1031 | S | 87.3 | Confident | 87.8 | Confident | 79 Ų | 79 | 76.2 Ų | 76.2 | 55% | 0.552 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -65.9 | -17.4 | 176.3 | 62 | 0 | 0 | 0 | 0 | 115 | W1029 R1035 | W1029-S1031 VanDerWaalsContact C-N 3.25Å; W1029-S1031 PolarHBondContact O-N 2.96Å; S1031-R1035 PolarHBondContact O-NH2 3.22Å |
| 1032 | S | 89.8 | Confident | 87.4 | Confident | 21 Ų | 21 | 77.1 Ų | 77.1 | 15% | 0.147 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -90.3 | -34.8 | 168.8 | -74.1 | 0 | 0 | 0 | 0 | 112.1 | W1029 N1030 R1035 H1036 | W1029-S1032 PolarHBondContact O-N 3.19Å; N1030-S1032 PolarHBondContact O-N 2.86Å; S1032-R1035 PolarHBondContact O-N 3Å; S1032-R1035 PolarHBondContact OG-NH1 3.35Å; S1032-R1035 PolarHBondContact OG-NH2 3.41Å; S1032-H1036 PolarHBondContact O-N 2.9Å; S1032-H1036 VanDerWaalsContact O-N 3.15Å |
| 1033 | L | 91.5 | Very high | 87 | Confident | 13 Ų | 13 | 79.3 Ų | 79.3 | 7% | 0.068 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -61 | -50.7 | 171.2 | 171.1 | 57.1 | 0 | 0 | 0 | 111.6 | I1016 C1018 F1027 W1029 N1030 R1035 H1036 I1037 | I1016-L1033 HydrophobicContact CB-CD2 4.32Å; I1016-L1033 HydrophobicContact CG2-CD2 3.58Å; C1018-L1033 HydrophobicContact CB-CD1 4.01Å; F1027-L1033 HydrophobicContact CB-CB 4.24Å; F1027-L1033 HydrophobicContact CD2-CB 4.04Å; F1027-L1033 HydrophobicContact CD2-CD1 3.97Å; F1027-L1033 HydrophobicContact CE2-CD1 4.22Å; F1027-L1033 HydrophobicContact CG-CB 4.25Å; W1029-L1033 PolarHBondContact O-N 2.59Å; N1030-L1033 WeakPolarHBondContact O-CB 3.43Å; N1030-L1033 PolarHBondContact O-N 2.73Å; N1030-L1033 VanDerWaalsContact O-N 3.08Å; L1033-R1035 PolarHBondContact O-N 2.66Å; L1033-H1036 CarbonylContact O-C 3.52Å; L1033-H1036 WeakPolarHBondContact O-CA 3.5Å; L1033-H1036 WeakPolarHBondContact O-CB 3.28Å; L1033-H1036 PolarHBondContact O-N 3.2Å; L1033-I1037 HydrophobicContact CD1-CD1 3.9Å; L1033-I1037 HydrophobicContact CD1-CG1 3.93Å; L1033-I1037 HydrophobicContact CG-CD1 3.93Å; L1033-I1037 HydrophobicContact CG-CG1 4.42Å; L1033-I1037 PolarHBondContact O-N 3.17Å |
| 1034 | K | 88.4 | Confident | 86.7 | Confident | 140 Ų | 140 | 83.7 Ų | 83.7 | 61% | 0.609 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -54.8 | -39.8 | 177.4 | -71.1 | -169.8 | 175.4 | -166.5 | 0 | 112.5 | N1030 H1036 I1037 L1038 | N1030-K1034 PolarHBondContact O-N 2.78Å; N1030-K1034 VanDerWaalsContact OD1-CE 3.26Å; N1030-K1034 WeakPolarHBondContact OD1-CE 3.38Å; N1030-K1034 WeakPolarHBondContact OD1-CG 3.36Å; K1034-H1036 VanDerWaalsContact C-N 3.28Å; K1034-H1036 PolarHBondContact O-N 3.25Å; K1034-I1037 PolarHBondContact O-N 3.37Å; K1034-L1038 WeakPolarHBondContact O-CG 3.35Å; K1034-L1038 PolarHBondContact O-N 2.93Å |
| 1035 | R | 82.4 | Confident | 86.5 | Confident | 120 Ų | 120 | 78.8 Ų | 78.8 | 45% | 0.453 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -68 | -25.5 | 176.6 | -160.6 | -166.5 | -47.9 | 111.4 | 16.4 | 113.4 | S1031 S1032 L1033 T1057 | S1031-R1035 PolarHBondContact O-NH2 3.22Å; S1032-R1035 PolarHBondContact O-N 3Å; S1032-R1035 PolarHBondContact OG-NH1 3.35Å; S1032-R1035 PolarHBondContact OG-NH2 3.41Å; L1033-R1035 PolarHBondContact O-N 2.66Å; R1035-T1057 HydrophobicContact CG-CG2 3.86Å |
| 1036 | H | 88.1 | Confident | 86.4 | Confident | 14 Ų | 14 | 77.5 Ų | 77.5 | 7% | 0.065 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -87.9 | -31.4 | 176.2 | 168.8 | 65.7 | 0 | 0 | 0 | 112.6 | C1018 C1023 Q1025 F1027 S1032 L1033 K1034 L1038 T1039 H1040 | C1018-H1036 PolarHBondContact SG-CD2 3.25Å; C1023-H1036 PolarHBondContact SG-CE1 3.2Å; C1023-H1036 PolarHBondContact SG-NE2 2.93Å; Q1025-H1036 VanDerWaalsContact CD-CE1 3.46Å; Q1025-H1036 PolarHBondContact OE1-CE1 3.26Å; F1027-H1036 HydrophobicContact CE1-CB 3.98Å; F1027-H1036 HydrophobicContact CE2-CB 3.92Å; F1027-H1036 AromaticContact CE2-CD2 3.26Å; F1027-H1036 WeakPolarHBondContact CE2-CD2 3.38Å; F1027-H1036 AromaticContact CE2-CG 3.65Å; F1027-H1036 AromaticContact CE2-NE2 3.99Å; F1027-H1036 HydrophobicContact CZ-CB 3.45Å; F1027-H1036 VanDerWaalsContact CZ-CB 3.45Å; F1027-H1036 AromaticContact CZ-CD2 3.38Å; F1027-H1036 WeakPolarHBondContact CZ-CD2 3.49Å; F1027-H1036 AromaticContact CZ-CG 3.27Å; F1027-H1036 AromaticContact CZ-ND1 3.9Å; S1032-H1036 PolarHBondContact O-N 2.9Å; S1032-H1036 VanDerWaalsContact O-N 3.15Å; L1033-H1036 CarbonylContact O-C 3.52Å; L1033-H1036 WeakPolarHBondContact O-CA 3.5Å; L1033-H1036 WeakPolarHBondContact O-CB 3.28Å; L1033-H1036 PolarHBondContact O-N 3.2Å; K1034-H1036 VanDerWaalsContact C-N 3.28Å; K1034-H1036 PolarHBondContact O-N 3.25Å; H1036-L1038 PolarHBondContact O-N 3.23Å; H1036-T1039 PolarHBondContact ND1-OG1 2.97Å; H1036-T1039 WeakPolarHBondContact O-CA 3.49Å; H1036-T1039 WeakPolarHBondContact O-CB 3.47Å; H1036-T1039 PolarHBondContact O-N 3.3Å; H1036-T1039 PolarHBondContact O-OG1 3.11Å; H1036-H1040 AromaticContact CD2-NE2 3.92Å; H1036-H1040 AromaticContact CE1-CD2 3.92Å; H1036-H1040 AromaticContact CE1-NE2 3.13Å; H1036-H1040 PolarHBondContact CE1-NE2 2.66Å; H1036-H1040 AromaticContact NE2-CD2 3.76Å; H1036-H1040 AromaticContact NE2-NE2 3.03Å; H1036-H1040 PolarHBondContact NE2-NE2 3.42Å; H1036-H1040 PolarHBondContact O-CD2 3.5Å |
| 1037 | I | 87.6 | Confident | 86.3 | Confident | 49 Ų | 49 | 73.5 Ų | 73.5 | 25% | 0.251 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -57.6 | -39.6 | 167.6 | -69.3 | 168 | 0 | 0 | 0 | 109.6 | P1019 I1020 L1033 K1034 T1039 H1040 T1041 | P1019-I1037 HydrophobicContact CG-CD1 4.25Å; I1020-I1037 HydrophobicContact CD1-CG1 4.46Å; I1020-I1037 HydrophobicContact CD1-CG2 4.23Å; L1033-I1037 HydrophobicContact CD1-CD1 3.9Å; L1033-I1037 HydrophobicContact CD1-CG1 3.93Å; L1033-I1037 HydrophobicContact CG-CD1 3.93Å; L1033-I1037 HydrophobicContact CG-CG1 4.42Å; L1033-I1037 PolarHBondContact O-N 3.17Å; K1034-I1037 PolarHBondContact O-N 3.37Å; I1037-T1039 PolarHBondContact O-N 3.12Å; I1037-H1040 PolarHBondContact O-N 2.72Å; I1037-T1041 HydrophobicContact CG2-CG2 4.31Å; I1037-T1041 PolarHBondContact O-N 2.99Å; I1037-T1041 PolarHBondContact O-OG1 3.01Å |
| 1038 | L | 85.5 | Confident | 86.3 | Confident | 51 Ų | 51 | 72.6 Ų | 72.6 | 27% | 0.267 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | 10 | 168.4 | -63.7 | 174.8 | 0 | 0 | 0 | 115.7 | K1034 H1036 S1056 | K1034-L1038 WeakPolarHBondContact O-CG 3.35Å; K1034-L1038 PolarHBondContact O-N 2.93Å; H1036-L1038 PolarHBondContact O-N 3.23Å; L1038-S1056 VanDerWaalsContact O-CB 3.25Å; L1038-S1056 WeakPolarHBondContact O-CB 3.31Å |
| 1039 | T | 81.5 | Confident | 86.3 | Confident | 88 Ų | 88 | 75.6 Ų | 75.6 | 54% | 0.54 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | -11.5 | 165.5 | 61.4 | 0 | 0 | 0 | 0 | 113.5 | H1036 I1037 | H1036-T1039 PolarHBondContact ND1-OG1 2.97Å; H1036-T1039 WeakPolarHBondContact O-CA 3.49Å; H1036-T1039 WeakPolarHBondContact O-CB 3.47Å; H1036-T1039 PolarHBondContact O-N 3.3Å; H1036-T1039 PolarHBondContact O-OG1 3.11Å; I1037-T1039 PolarHBondContact O-N 3.12Å |
| 1040 | H | 83.2 | Confident | 86.2 | Confident | 76 Ų | 76 | 77.3 Ų | 77.3 | 35% | 0.352 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98 | -40.8 | 172.3 | -63.9 | -71 | 0 | 0 | 0 | 111.7 | I1020 C1023 H1036 I1037 | I1020-H1040 HydrophobicContact CD1-CB 3.47Å; I1020-H1040 VanDerWaalsContact CD1-CB 3.47Å; I1020-H1040 HydrophobicContact CG2-CB 4.34Å; C1023-H1040 VanDerWaalsContact CB-CE1 3.41Å; C1023-H1040 WeakPolarHBondContact CB-CE1 3.43Å; C1023-H1040 WeakPolarHBondContact CB-NE2 3.49Å; C1023-H1040 PolarHBondContact SG-CE1 2.85Å; C1023-H1040 PolarHBondContact SG-NE2 3.31Å; H1036-H1040 AromaticContact CD2-NE2 3.92Å; H1036-H1040 AromaticContact CE1-CD2 3.92Å; H1036-H1040 AromaticContact CE1-NE2 3.13Å; H1036-H1040 PolarHBondContact CE1-NE2 2.66Å; H1036-H1040 AromaticContact NE2-CD2 3.76Å; H1036-H1040 AromaticContact NE2-NE2 3.03Å; H1036-H1040 PolarHBondContact NE2-NE2 3.42Å; H1036-H1040 PolarHBondContact O-CD2 3.5Å; I1037-H1040 PolarHBondContact O-N 2.72Å |
| 1041 | T | 80.4 | Confident | 86.4 | Confident | 50 Ų | 50 | 75.3 Ų | 75.3 | 31% | 0.307 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -70.7 | 135.6 | 173.2 | 59 | 0 | 0 | 0 | 0 | 110.2 | I1037 H1043 | I1037-T1041 HydrophobicContact CG2-CG2 4.31Å; I1037-T1041 PolarHBondContact O-N 2.99Å; I1037-T1041 PolarHBondContact O-OG1 3.01Å; T1041-H1043 PolarHBondContact O-N 2.88Å; T1041-H1043 VanDerWaalsContact O-N 3.16Å |
| 1042 | P | 75.7 | Confident | 86.5 | Confident | 121 Ų | 121 | 78.3 Ų | 78.3 | 79% | 0.786 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -64.8 | -18.5 | 176 | 26.9 | -34.8 | 0 | 0 | 0 | 113 | K1044 | P1042-K1044 WeakPolarHBondContact O-CG 3.4Å; P1042-K1044 PolarHBondContact O-N 3.07Å |
| 1043 | H | 79.5 | Confident | 86.6 | Confident | 128 Ų | 128 | 83.6 Ų | 83.6 | 59% | 0.593 | 43% | 0.431 | S | S | * | . | trans | -63.7 | 99.7 | 180 | -169.5 | -99.3 | 0 | 0 | 0 | 112.7 | T1041 P1045 | T1041-H1043 PolarHBondContact O-N 2.88Å; T1041-H1043 VanDerWaalsContact O-N 3.16Å; H1043-P1045 VanDerWaalsContact O-CD 3.27Å; H1043-P1045 WeakPolarHBondContact O-CD 3.48Å | ||
| 1044 | K | 84.3 | Confident | 86.6 | Confident | 112 Ų | 112 | 85.4 Ų | 85.4 | 49% | 0.487 | 44% | 0.444 | S | S | . | . | trans | -108.9 | 85.8 | 179.2 | -69.1 | 167.4 | -162 | 164.8 | 0 | 109.2 | P1042 F1046 S1054 F1055 | P1042-K1044 WeakPolarHBondContact O-CG 3.4Å; P1042-K1044 PolarHBondContact O-N 3.07Å; K1044-F1046 PolarHBondContact O-N 3.47Å; K1044-S1054 WeakPolarHBondContact CD-O 3.16Å; K1044-S1054 WeakPolarHBondContact O-CB 3.37Å; K1044-F1055 CarbonylContact C-O 3.59Å; K1044-F1055 VanDerWaalsContact C-O 3.32Å | ||
| 1045 | P | 84.5 | Confident | 86.8 | Confident | 65 Ų | 65 | 80.8 Ų | 80.8 | 42% | 0.422 | 43% | 0.425 | S | S | . | . | trans | -68.2 | -5.8 | -164.7 | 24.6 | -34.7 | 0 | 0 | 0 | 115.9 | H1043 | H1043-P1045 VanDerWaalsContact O-CD 3.27Å; H1043-P1045 WeakPolarHBondContact O-CD 3.48Å | ||
| 1046 | F | 91.3 | Very high | 87.1 | Confident | 76 Ų | 76 | 76.3 Ų | 76.3 | 33% | 0.333 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 73.6 | -179 | -55.7 | -77.2 | 0 | 0 | 0 | 111 | K1044 F1055 T1057 K1058 R1061 | K1044-F1046 PolarHBondContact O-N 3.47Å; F1046-F1055 HydrophobicContact CB-CB 4.41Å; F1046-F1055 WeakPolarHBondContact CB-O 3.38Å; F1046-F1055 PolarHBondContact N-O 3.03Å; F1046-F1055 PolarHBondContact O-N 3.05Å; F1046-T1057 VanDerWaalsContact CD2-CA 3.41Å; F1046-K1058 HydrophobicContact CD1-CB 3.79Å; F1046-K1058 VanDerWaalsContact CD2-N 3.27Å; F1046-K1058 HydrophobicContact CE1-CB 3.8Å; F1046-K1058 HydrophobicContact CG-CB 4.25Å; F1046-K1058 HydrophobicContact CZ-CB 4.25Å; F1046-R1061 HydrophobicContact CB-CB 4.15Å |
| 1047 | A | 90.4 | Very high | 87.1 | Confident | 50 Ų | 50 | 76.7 Ų | 76.7 | 41% | 0.413 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 135.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112 | S1054 R1061 | A1047-S1054 WeakPolarHBondContact CA-OG 3.47Å; A1047-R1061 VanDerWaalsContact O-CD 3.29Å; A1047-R1061 WeakPolarHBondContact O-CD 3.44Å; A1047-R1061 PolarHBondContact O-NE 2.87Å |
| 1048 | C | 92.9 | Very high | 87.3 | Confident | 11 Ų | 11 | 80 Ų | 80 | 7% | 0.074 | 43% | 0.428 | C | S | . | . | trans | -67.5 | 137.7 | 166.7 | -180 | 0 | 0 | 0 | 0 | 109.8 | R1050 C1051 K1053 F1055 H1064 M1065 | C1048-R1050 VanDerWaalsContact C-N 3.31Å; C1048-R1050 PolarHBondContact SG-N 3.15Å; C1048-R1050 VanDerWaalsContact SG-N 3.37Å; C1048-C1051 CarbonylContact C-O 3.56Å; C1048-C1051 VanDerWaalsContact CB-O 3.3Å; C1048-C1051 WeakPolarHBondContact CB-O 3.37Å; C1048-K1053 WeakPolarHBondContact CB-O 3.39Å; C1048-K1053 PolarHBondContact N-O 3.02Å; C1048-F1055 HydrophobicContact CB-CE2 4.35Å; C1048-H1064 VanDerWaalsContact SG-CD2 3.56Å; C1048-H1064 PolarHBondContact SG-NE2 2.75Å; C1048-M1065 HydrophobicContact CB-CE 4.38Å; C1048-M1065 WeakPolarHBondContact SG-CE 3.36Å; C1048-M1065 VanDerWaalsContact SG-SD 3.64Å | ||
| 1049 | T | 89.6 | Confident | 87.5 | Confident | 108 Ų | 108 | 80.7 Ų | 80.7 | 66% | 0.663 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -92 | 11.9 | 177.2 | 47.2 | 0 | 0 | 0 | 0 | 113 | R1061 M1065 | T1049-R1061 VanDerWaalsContact CG2-NH2 3.34Å; T1049-R1061 PolarHBondContact OG1-NH2 3.26Å; T1049-R1061 VanDerWaalsContact OG1-NH2 3.12Å; T1049-M1065 VanDerWaalsContact N-CE 3.34Å; T1049-M1065 WeakPolarHBondContact OG1-CE 3.44Å |
| 1050 | R | 88.5 | Confident | 88.1 | Confident | 166 Ų | 166 | 79.2 Ų | 79.2 | 63% | 0.626 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -132.8 | 1.5 | 175.8 | -71.9 | -170.5 | 172.2 | -161.9 | -4.1 | 113.8 | C1048 M1065 H1069 | C1048-R1050 VanDerWaalsContact C-N 3.31Å; C1048-R1050 PolarHBondContact SG-N 3.15Å; C1048-R1050 VanDerWaalsContact SG-N 3.37Å; R1050-M1065 HydrophobicContact CB-SD 4.45Å; R1050-H1069 VanDerWaalsContact CB-CE1 3.48Å; R1050-H1069 WeakPolarHBondContact CB-CE1 3.43Å; R1050-H1069 PolarHBondContact O-CE1 3.32Å |
| 1051 | C | 92.7 | Very high | 88.6 | Confident | 43 Ų | 43 | 78.6 Ų | 78.6 | 29% | 0.291 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -165.4 | 165.6 | 163 | 64.8 | 0 | 0 | 0 | 0 | 109.5 | C1048 K1053 H1064 | C1048-C1051 CarbonylContact C-O 3.56Å; C1048-C1051 VanDerWaalsContact CB-O 3.3Å; C1048-C1051 WeakPolarHBondContact CB-O 3.37Å; C1051-K1053 PolarHBondContact O-N 2.79Å; C1051-H1064 VanDerWaalsContact SG-CE1 3.55Å; C1051-H1064 PolarHBondContact SG-NE2 3.42Å |
| 1052 | T | 88.6 | Confident | 89 | Confident | 143 Ų | 143 | 80.5 Ų | 80.5 | 88% | 0.877 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -66.2 | 8 | -176.3 | 53.5 | 0 | 0 | 0 | 0 | 115.9 | S1054 | T1052-S1054 PolarHBondContact O-N 3.43Š|
| 1053 | K | 92.8 | Very high | 89.8 | Confident | 132 Ų | 132 | 80.4 Ų | 80.4 | 57% | 0.574 | 41% | 0.409 | S | S | * | . | trans | -82.7 | 112.2 | -174.7 | -65.4 | -175.8 | -179.9 | 179.2 | 0 | 111.4 | C1048 C1051 F1055 | C1048-K1053 WeakPolarHBondContact CB-O 3.39Å; C1048-K1053 PolarHBondContact N-O 3.02Å; C1051-K1053 PolarHBondContact O-N 2.79Å; K1053-F1055 HydrophobicContact CB-CE2 4.02Å; K1053-F1055 HydrophobicContact CB-CZ 4.04Å; K1053-F1055 WeakPolarHBondContact O-CD2 2.92Å; K1053-F1055 WeakPolarHBondContact O-CE2 3.47Å | ||
| 1054 | S | 91 | Very high | 90.5 | Very high | 50 Ų | 50 | 75.2 Ų | 75.2 | 35% | 0.35 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 143.9 | 178.4 | -64 | 0 | 0 | 0 | 0 | 113.3 | K1044 A1047 T1052 | K1044-S1054 WeakPolarHBondContact CD-O 3.16Å; K1044-S1054 WeakPolarHBondContact O-CB 3.37Å; A1047-S1054 WeakPolarHBondContact CA-OG 3.47Å; T1052-S1054 PolarHBondContact O-N 3.43Å |
| 1055 | F | 92.6 | Very high | 90.8 | Very high | 44 Ų | 44 | 71.6 Ų | 71.6 | 19% | 0.193 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 149.6 | -173.5 | -59.9 | -86.6 | 0 | 0 | 0 | 112.7 | K1044 F1046 C1048 K1053 T1057 N1060 R1061 H1064 | K1044-F1055 CarbonylContact C-O 3.59Å; K1044-F1055 VanDerWaalsContact C-O 3.32Å; F1046-F1055 HydrophobicContact CB-CB 4.41Å; F1046-F1055 WeakPolarHBondContact CB-O 3.38Å; F1046-F1055 PolarHBondContact N-O 3.03Å; F1046-F1055 PolarHBondContact O-N 3.05Å; C1048-F1055 HydrophobicContact CB-CE2 4.35Å; K1053-F1055 HydrophobicContact CB-CE2 4.02Å; K1053-F1055 HydrophobicContact CB-CZ 4.04Å; K1053-F1055 WeakPolarHBondContact O-CD2 2.92Å; K1053-F1055 WeakPolarHBondContact O-CE2 3.47Å; F1055-T1057 VanDerWaalsContact C-N 3.29Å; F1055-T1057 PolarHBondContact O-N 3.1Å; F1055-N1060 HydrophobicContact CB-CB 4.12Å; F1055-N1060 HydrophobicContact CD1-CB 3.94Å; F1055-N1060 HydrophobicContact CG-CB 4.26Å; F1055-R1061 HydrophobicContact CB-CB 4.3Å; F1055-R1061 HydrophobicContact CD2-CB 3.77Å; F1055-R1061 HydrophobicContact CD2-CG 4.35Å; F1055-R1061 HydrophobicContact CG-CB 4.25Å; F1055-H1064 HydrophobicContact CE1-CB 4.05Å; F1055-H1064 HydrophobicContact CE2-CB 3.82Å; F1055-H1064 AromaticContact CE2-CD2 3.44Å; F1055-H1064 VanDerWaalsContact CE2-CD2 3.44Å; F1055-H1064 WeakPolarHBondContact CE2-CD2 3.48Å; F1055-H1064 AromaticContact CE2-CG 3.62Å; F1055-H1064 HydrophobicContact CZ-CB 3.42Å; F1055-H1064 VanDerWaalsContact CZ-CB 3.42Å; F1055-H1064 AromaticContact CZ-CD2 3.66Å; F1055-H1064 AromaticContact CZ-CG 3.33Å; F1055-H1064 AromaticContact CZ-ND1 3.89Å |
| 1056 | S | 88.5 | Confident | 91.1 | Very high | 25 Ų | 25 | 74.3 Ų | 74.3 | 18% | 0.175 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -77.6 | -8.5 | 175.5 | 55.5 | 0 | 0 | 0 | 0 | 114.1 | L1038 | L1038-S1056 VanDerWaalsContact O-CB 3.25Å; L1038-S1056 WeakPolarHBondContact O-CB 3.31Å |
| 1057 | T | 89 | Confident | 91 | Very high | 23 Ų | 23 | 78.9 Ų | 78.9 | 14% | 0.141 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -141.7 | 144.5 | 171.6 | 68.7 | 0 | 0 | 0 | 0 | 112.9 | R1035 F1046 F1055 S1059 N1060 R1061 | R1035-T1057 HydrophobicContact CG-CG2 3.86Å; F1046-T1057 VanDerWaalsContact CD2-CA 3.41Å; F1055-T1057 VanDerWaalsContact C-N 3.29Å; F1055-T1057 PolarHBondContact O-N 3.1Å; T1057-S1059 VanDerWaalsContact C-N 3.25Å; T1057-S1059 PolarHBondContact O-N 3.06Å; T1057-S1059 PolarHBondContact OG1-OG 3.01Å; T1057-N1060 PolarHBondContact O-N 3.2Å; T1057-N1060 WeakPolarHBondContact OG1-CB 3.49Å; T1057-N1060 VanDerWaalsContact OG1-CG 3.28Å; T1057-N1060 PolarHBondContact OG1-N 2.88Å; T1057-N1060 PolarHBondContact OG1-ND2 3.43Å; T1057-R1061 PolarHBondContact O-N 2.89Å |
| 1058 | K | 91.4 | Very high | 90.9 | Very high | 119 Ų | 119 | 79.7 Ų | 79.7 | 52% | 0.517 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -51.5 | -41.9 | 172.2 | 178.2 | 169.3 | 171.8 | 171.6 | 0 | 112.6 | F1046 N1060 R1061 E1062 | F1046-K1058 HydrophobicContact CD1-CB 3.79Å; F1046-K1058 VanDerWaalsContact CD2-N 3.27Å; F1046-K1058 HydrophobicContact CE1-CB 3.8Å; F1046-K1058 HydrophobicContact CG-CB 4.25Å; F1046-K1058 HydrophobicContact CZ-CB 4.25Å; K1058-N1060 VanDerWaalsContact C-N 3.32Å; K1058-N1060 PolarHBondContact O-N 2.75Å; K1058-R1061 WeakPolarHBondContact O-CB 3.27Å; K1058-R1061 PolarHBondContact O-N 3.13Å; K1058-E1062 WeakPolarHBondContact CE-OE1 3.16Å; K1058-E1062 HydrophobicContact CG-CG 4.38Å; K1058-E1062 WeakPolarHBondContact CG-OE1 3.43Å; K1058-E1062 WeakPolarHBondContact O-CG 3.49Å; K1058-E1062 PolarHBondContact O-N 3.22Å |
| 1059 | S | 89.6 | Confident | 90.8 | Very high | 64 Ų | 64 | 80.8 Ų | 80.8 | 45% | 0.448 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -68.5 | -25 | 179.3 | 54.9 | 0 | 0 | 0 | 0 | 114.7 | T1057 E1062 R1063 | T1057-S1059 VanDerWaalsContact C-N 3.25Å; T1057-S1059 PolarHBondContact O-N 3.06Å; T1057-S1059 PolarHBondContact OG1-OG 3.01Å; S1059-E1062 WeakPolarHBondContact CA-OE2 3.49Å; S1059-R1063 WeakPolarHBondContact O-CB 3.41Å; S1059-R1063 PolarHBondContact O-N 3.22Å; S1059-R1063 VanDerWaalsContact O-N 3.12Å |
| 1060 | N | 93 | Very high | 90.2 | Very high | 58 Ų | 58 | 84.5 Ų | 84.5 | 31% | 0.31 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -77.7 | -39.1 | 171.9 | -76.6 | -13.8 | 0 | 0 | 0 | 110.8 | F1055 T1057 K1058 R1063 H1064 | F1055-N1060 HydrophobicContact CB-CB 4.12Å; F1055-N1060 HydrophobicContact CD1-CB 3.94Å; F1055-N1060 HydrophobicContact CG-CB 4.26Å; T1057-N1060 PolarHBondContact O-N 3.2Å; T1057-N1060 WeakPolarHBondContact OG1-CB 3.49Å; T1057-N1060 VanDerWaalsContact OG1-CG 3.28Å; T1057-N1060 PolarHBondContact OG1-N 2.88Å; T1057-N1060 PolarHBondContact OG1-ND2 3.43Å; K1058-N1060 VanDerWaalsContact C-N 3.32Å; K1058-N1060 PolarHBondContact O-N 2.75Å; N1060-R1063 PolarHBondContact O-N 2.86Å; N1060-R1063 PolarHBondContact OD1-NH1 3Å; N1060-H1064 WeakPolarHBondContact O-CB 3.35Å; N1060-H1064 PolarHBondContact O-N 3.44Å |
| 1061 | R | 93.9 | Very high | 89.1 | Confident | 62 Ų | 62 | 79.5 Ų | 79.5 | 23% | 0.234 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -58.2 | -46.9 | 169.4 | 176.2 | -169.9 | 178.8 | -100.9 | 4.9 | 111.6 | F1046 A1047 T1049 F1055 T1057 K1058 H1064 M1065 | F1046-R1061 HydrophobicContact CB-CB 4.15Å; A1047-R1061 VanDerWaalsContact O-CD 3.29Å; A1047-R1061 WeakPolarHBondContact O-CD 3.44Å; A1047-R1061 PolarHBondContact O-NE 2.87Å; T1049-R1061 VanDerWaalsContact CG2-NH2 3.34Å; T1049-R1061 PolarHBondContact OG1-NH2 3.26Å; T1049-R1061 VanDerWaalsContact OG1-NH2 3.12Å; F1055-R1061 HydrophobicContact CB-CB 4.3Å; F1055-R1061 HydrophobicContact CD2-CB 3.77Å; F1055-R1061 HydrophobicContact CD2-CG 4.35Å; F1055-R1061 HydrophobicContact CG-CB 4.25Å; T1057-R1061 PolarHBondContact O-N 2.89Å; K1058-R1061 WeakPolarHBondContact O-CB 3.27Å; K1058-R1061 PolarHBondContact O-N 3.13Å; R1061-H1064 WeakPolarHBondContact O-CB 3.3Å; R1061-H1064 PolarHBondContact O-N 2.81Å; R1061-M1065 WeakPolarHBondContact O-CG 3.19Å; R1061-M1065 PolarHBondContact O-N 2.96Å |
| 1062 | E | 90.5 | Very high | 87.4 | Confident | 91 Ų | 91 | 80.8 Ų | 80.8 | 43% | 0.425 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62.7 | -45.5 | 178.2 | -73.3 | 163.8 | 168.2 | 0 | 0 | 112.3 | K1058 S1059 H1064 M1065 E1066 | K1058-E1062 WeakPolarHBondContact CE-OE1 3.16Å; K1058-E1062 HydrophobicContact CG-CG 4.38Å; K1058-E1062 WeakPolarHBondContact CG-OE1 3.43Å; K1058-E1062 WeakPolarHBondContact O-CG 3.49Å; K1058-E1062 PolarHBondContact O-N 3.22Å; S1059-E1062 WeakPolarHBondContact CA-OE2 3.49Å; E1062-H1064 VanDerWaalsContact C-N 3.27Å; E1062-H1064 PolarHBondContact O-N 2.97Å; E1062-M1065 WeakPolarHBondContact O-CB 3.34Å; E1062-M1065 PolarHBondContact O-N 3.38Å; E1062-E1066 WeakPolarHBondContact O-CB 3.46Å; E1062-E1066 PolarHBondContact O-N 3.3Å |
| 1063 | R | 91.3 | Very high | 85.6 | Confident | 118 Ų | 118 | 78.2 Ų | 78.2 | 45% | 0.445 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.1 | -35.4 | 174.3 | -175.5 | -174.9 | -63.8 | 137.6 | 3.9 | 112.4 | S1059 N1060 R1067 | S1059-R1063 WeakPolarHBondContact O-CB 3.41Å; S1059-R1063 PolarHBondContact O-N 3.22Å; S1059-R1063 VanDerWaalsContact O-N 3.12Å; N1060-R1063 PolarHBondContact O-N 2.86Å; N1060-R1063 PolarHBondContact OD1-NH1 3Å; R1063-R1067 WeakPolarHBondContact O-CB 3.47Å; R1063-R1067 VanDerWaalsContact O-CG 3.28Å; R1063-R1067 WeakPolarHBondContact O-CG 3.36Å; R1063-R1067 PolarHBondContact O-N 2.94Å |
| 1064 | H | 94.2 | Very high | 83.7 | Confident | 20 Ų | 20 | 79.1 Ų | 79.1 | 9% | 0.093 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -68.2 | -45.6 | 174 | 159.7 | 71.6 | 0 | 0 | 0 | 111.5 | C1048 C1051 F1055 N1060 R1061 E1062 E1066 R1067 V1068 H1069 | C1048-H1064 VanDerWaalsContact SG-CD2 3.56Å; C1048-H1064 PolarHBondContact SG-NE2 2.75Å; C1051-H1064 VanDerWaalsContact SG-CE1 3.55Å; C1051-H1064 PolarHBondContact SG-NE2 3.42Å; F1055-H1064 HydrophobicContact CE1-CB 4.05Å; F1055-H1064 HydrophobicContact CE2-CB 3.82Å; F1055-H1064 AromaticContact CE2-CD2 3.44Å; F1055-H1064 VanDerWaalsContact CE2-CD2 3.44Å; F1055-H1064 WeakPolarHBondContact CE2-CD2 3.48Å; F1055-H1064 AromaticContact CE2-CG 3.62Å; F1055-H1064 HydrophobicContact CZ-CB 3.42Å; F1055-H1064 VanDerWaalsContact CZ-CB 3.42Å; F1055-H1064 AromaticContact CZ-CD2 3.66Å; F1055-H1064 AromaticContact CZ-CG 3.33Å; F1055-H1064 AromaticContact CZ-ND1 3.89Å; N1060-H1064 WeakPolarHBondContact O-CB 3.35Å; N1060-H1064 PolarHBondContact O-N 3.44Å; R1061-H1064 WeakPolarHBondContact O-CB 3.3Å; R1061-H1064 PolarHBondContact O-N 2.81Å; E1062-H1064 VanDerWaalsContact C-N 3.27Å; E1062-H1064 PolarHBondContact O-N 2.97Å; H1064-E1066 VanDerWaalsContact C-N 3.31Å; H1064-E1066 PolarHBondContact O-N 3.3Å; H1064-R1067 PolarHBondContact O-N 2.96Å; H1064-V1068 WeakPolarHBondContact ND1-CG2 3.33Å; H1064-V1068 WeakPolarHBondContact O-CB 3.47Å; H1064-V1068 PolarHBondContact O-N 2.78Å; H1064-H1069 AromaticContact CE1-NE2 3.81Å; H1064-H1069 AromaticContact NE2-CD2 3.77Å; H1064-H1069 AromaticContact NE2-NE2 3.43Å; H1064-H1069 PolarHBondContact NE2-NE2 2.83Å |
| 1065 | M | 91.6 | Very high | 81.8 | Confident | 35 Ų | 35 | 85 Ų | 85 | 17% | 0.172 | 39% | 0.394 | C | S | . | . | I | π-helix | trans | -55.1 | -45.8 | 172.9 | -74 | -70.3 | -165.5 | 0 | 0 | 112 | C1048 T1049 R1050 R1061 E1062 H1069 R1070 | C1048-M1065 HydrophobicContact CB-CE 4.38Å; C1048-M1065 WeakPolarHBondContact SG-CE 3.36Å; C1048-M1065 VanDerWaalsContact SG-SD 3.64Å; T1049-M1065 VanDerWaalsContact N-CE 3.34Å; T1049-M1065 WeakPolarHBondContact OG1-CE 3.44Å; R1050-M1065 HydrophobicContact CB-SD 4.45Å; R1061-M1065 WeakPolarHBondContact O-CG 3.19Å; R1061-M1065 PolarHBondContact O-N 2.96Å; E1062-M1065 WeakPolarHBondContact O-CB 3.34Å; E1062-M1065 PolarHBondContact O-N 3.38Å; M1065-H1069 CarbonylContact O-C 3.52Å; M1065-H1069 WeakPolarHBondContact O-CA 3.43Å; M1065-H1069 PolarHBondContact O-N 3.12Å; M1065-H1069 HydrophobicContact SD-CB 4.43Å; M1065-R1070 PolarHBondContact O-N 3.09Å |
| 1066 | E | 89.9 | Confident | 79.6 | Confident | 122 Ų | 122 | 87.2 Ų | 87.2 | 57% | 0.57 | 41% | 0.405 | S | S | * | . | I | π-helix | trans | -62 | -49.8 | 177.5 | -174.4 | 175.4 | -131.9 | 0 | 0 | 111.8 | E1062 H1064 R1070 V1071 | E1062-E1066 WeakPolarHBondContact O-CB 3.46Å; E1062-E1066 PolarHBondContact O-N 3.3Å; H1064-E1066 VanDerWaalsContact C-N 3.31Å; H1064-E1066 PolarHBondContact O-N 3.3Å; E1066-R1070 WeakPolarHBondContact O-CB 3.31Å; E1066-V1071 PolarHBondContact O-N 3Å |
| 1067 | R | 88.6 | Confident | 77.8 | Confident | 172 Ų | 172 | 95 Ų | 95 | 65% | 0.649 | 43% | 0.43 | S | S | * | . | I | π-helix | trans | -77.2 | -31.1 | -174.5 | -71.5 | 177.3 | 177.3 | -168.5 | -5.8 | 115.3 | R1063 H1064 V1071 | R1063-R1067 WeakPolarHBondContact O-CB 3.47Å; R1063-R1067 VanDerWaalsContact O-CG 3.28Å; R1063-R1067 WeakPolarHBondContact O-CG 3.36Å; R1063-R1067 PolarHBondContact O-N 2.94Å; H1064-R1067 PolarHBondContact O-N 2.96Å; R1067-V1071 WeakPolarHBondContact O-CB 3.35Å; R1067-V1071 WeakPolarHBondContact O-CG2 3.29Å |
| 1068 | V | 89.6 | Confident | 76.2 | Confident | 67 Ų | 67 | 99.3 Ų | 99.3 | 41% | 0.406 | 45% | 0.449 | S | S | . | . | I | π-helix | trans | -102.7 | -47.1 | -174.7 | -179.5 | 0 | 0 | 0 | 0 | 110.9 | H1064 S1072 | H1064-V1068 WeakPolarHBondContact ND1-CG2 3.33Å; H1064-V1068 WeakPolarHBondContact O-CB 3.47Å; H1064-V1068 PolarHBondContact O-N 2.78Å; V1068-S1072 PolarHBondContact O-OG 2.89Å |
| 1069 | H | 90.4 | Very high | 74.5 | Confident | 35 Ų | 35 | 103 Ų | 103 | 16% | 0.162 | 46% | 0.46 | C | S | . | . | I | π-helix | trans | -97.7 | -29.3 | -171 | -61.1 | -70 | 0 | 0 | 0 | 114 | R1050 H1064 M1065 | R1050-H1069 VanDerWaalsContact CB-CE1 3.48Å; R1050-H1069 WeakPolarHBondContact CB-CE1 3.43Å; R1050-H1069 PolarHBondContact O-CE1 3.32Å; H1064-H1069 AromaticContact CE1-NE2 3.81Å; H1064-H1069 AromaticContact NE2-CD2 3.77Å; H1064-H1069 AromaticContact NE2-NE2 3.43Å; H1064-H1069 PolarHBondContact NE2-NE2 2.83Å; M1065-H1069 CarbonylContact O-C 3.52Å; M1065-H1069 WeakPolarHBondContact O-CA 3.43Å; M1065-H1069 PolarHBondContact O-N 3.12Å; M1065-H1069 HydrophobicContact SD-CB 4.43Å |
| 1070 | R | 76.4 | Confident | 72.5 | Confident | 186 Ų | 186 | 106.5 Ų | 106.5 | 70% | 0.702 | 47% | 0.467 | S | S | * | . | I | π-helix | trans | -85.1 | -29.9 | 172.3 | -73.2 | -172.5 | 166.6 | -167 | -6 | 113.9 | M1065 E1066 S1072 K1074 | M1065-R1070 PolarHBondContact O-N 3.09Å; E1066-R1070 WeakPolarHBondContact O-CB 3.31Å; R1070-S1072 VanDerWaalsContact C-N 3.34Å; R1070-K1074 PolarHBondContact O-N 3.29Å |
| 1071 | V | 64.7 | Low | 70.6 | Confident | 61 Ų | 61 | 111 Ų | 111 | 37% | 0.37 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.8 | -35.7 | 174.8 | 172.2 | 0 | 0 | 0 | 0 | 111.8 | E1066 R1067 L1073 K1074 R1075 | E1066-V1071 PolarHBondContact O-N 3Å; R1067-V1071 WeakPolarHBondContact O-CB 3.35Å; R1067-V1071 WeakPolarHBondContact O-CG2 3.29Å; V1071-L1073 PolarHBondContact O-N 3.06Å; V1071-K1074 PolarHBondContact O-N 3.26Å; V1071-K1074 VanDerWaalsContact O-N 3.11Å; V1071-R1075 HydrophobicContact CG1-CG 4.15Å; V1071-R1075 PolarHBondContact O-N 3.17Å |
| 1072 | S | 57 | Low | 68.5 | Low | 70 Ų | 70 | 114.9 Ų | 114.9 | 49% | 0.49 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.4 | -49.5 | 177.1 | -60.4 | 0 | 0 | 0 | 0 | 112.3 | V1068 R1070 K1074 R1075 Q1076 | V1068-S1072 PolarHBondContact O-OG 2.89Å; R1070-S1072 VanDerWaalsContact C-N 3.34Å; S1072-K1074 VanDerWaalsContact C-N 3.25Å; S1072-K1074 PolarHBondContact O-N 3.04Å; S1072-R1075 PolarHBondContact O-N 3.47Å; S1072-R1075 VanDerWaalsContact O-N 3.17Å; S1072-Q1076 WeakPolarHBondContact O-CB 3.47Å; S1072-Q1076 PolarHBondContact O-N 2.98Å |
| 1073 | L | 51 | Low | 66.4 | Low | 89 Ų | 89 | 114.1 Ų | 114.1 | 47% | 0.466 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -57.3 | -38.3 | 174.1 | -68.7 | 171.4 | 0 | 0 | 0 | 112.3 | V1071 R1077 | V1071-L1073 PolarHBondContact O-N 3.06Å; L1073-R1077 WeakPolarHBondContact O-CG 3.19Å; L1073-R1077 PolarHBondContact O-N 3.13Å |
| 1074 | K | 53.9 | Low | 63.8 | Low | 150 Ų | 150 | 114.3 Ų | 114.3 | 65% | 0.652 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -72.4 | -36 | 178.9 | -156.5 | 175.4 | -173.8 | -177.3 | 0 | 112.6 | R1070 V1071 S1072 Q1078 | R1070-K1074 PolarHBondContact O-N 3.29Å; V1071-K1074 PolarHBondContact O-N 3.26Å; V1071-K1074 VanDerWaalsContact O-N 3.11Å; S1072-K1074 VanDerWaalsContact C-N 3.25Å; S1072-K1074 PolarHBondContact O-N 3.04Å; K1074-Q1078 WeakPolarHBondContact O-CG 3.46Å; K1074-Q1078 PolarHBondContact O-N 3.45Å; K1074-Q1078 VanDerWaalsContact O-N 3.1Å |
| 1075 | R | 50.6 | Low | 61 | Low | 174 Ų | 174 | 120.8 Ų | 120.8 | 66% | 0.657 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -68.7 | -39.3 | 172.7 | -77.8 | -177.8 | 166.3 | -171.9 | -6.1 | 112.2 | V1071 S1072 Q1078 R1079 | V1071-R1075 HydrophobicContact CG1-CG 4.15Å; V1071-R1075 PolarHBondContact O-N 3.17Å; S1072-R1075 PolarHBondContact O-N 3.47Å; S1072-R1075 VanDerWaalsContact O-N 3.17Å; R1075-Q1078 PolarHBondContact O-N 2.94Å; R1075-Q1078 VanDerWaalsContact O-N 3.13Å; R1075-R1079 PolarHBondContact O-N 3.44Å |
| 1076 | Q | 45.9 | Very low | 58.1 | Low | 91 Ų | 91 | 124.2 Ų | 124.2 | 43% | 0.425 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -61.6 | -48.2 | 175.8 | -167.6 | 172.3 | 5.4 | 0 | 0 | 110.8 | S1072 Q1078 R1079 F1080 | S1072-Q1076 WeakPolarHBondContact O-CB 3.47Å; S1072-Q1076 PolarHBondContact O-N 2.98Å; Q1076-Q1078 PolarHBondContact O-N 3.1Å; Q1076-R1079 PolarHBondContact O-N 3.19Å; Q1076-R1079 VanDerWaalsContact O-N 3.09Å; Q1076-F1080 HydrophobicContact CG-CE2 4.28Å; Q1076-F1080 WeakPolarHBondContact O-CD2 3.43Å; Q1076-F1080 PolarHBondContact O-N 3.12Å |
| 1077 | R | 52.2 | Low | 55.3 | Low | 187 Ų | 187 | 125.5 Ų | 125.5 | 71% | 0.706 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -61.9 | -27.1 | 172.1 | -70.5 | -178.1 | -179.3 | -162.8 | -2.3 | 114 | L1073 H1081 | L1073-R1077 WeakPolarHBondContact O-CG 3.19Å; L1073-R1077 PolarHBondContact O-N 3.13Å; R1077-H1081 PolarHBondContact O-CD2 3.41Å; R1077-H1081 PolarHBondContact O-N 3.04Å |
| 1078 | Q | 55.3 | Low | 52.4 | Low | 114 Ų | 114 | 125.9 Ų | 125.9 | 53% | 0.533 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -74.7 | -32.8 | 172.9 | -76.2 | -179.2 | -67.2 | 0 | 0 | 112.9 | K1074 R1075 Q1076 H1081 Q1082 | K1074-Q1078 WeakPolarHBondContact O-CG 3.46Å; K1074-Q1078 PolarHBondContact O-N 3.45Å; K1074-Q1078 VanDerWaalsContact O-N 3.1Å; R1075-Q1078 PolarHBondContact O-N 2.94Å; R1075-Q1078 VanDerWaalsContact O-N 3.13Å; Q1076-Q1078 PolarHBondContact O-N 3.1Å; Q1078-H1081 PolarHBondContact O-N 3.15Å; Q1078-Q1082 WeakPolarHBondContact O-CG 3.27Å; Q1078-Q1082 PolarHBondContact O-N 2.65Å |
| 1079 | R | 54.1 | Low | 49.4 | Very low | 196 Ų | 196 | 127.8 Ų | 127.8 | 74% | 0.74 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -64.1 | -45.7 | 172.3 | -72.4 | -178.6 | 173.4 | 179.6 | -5.2 | 111.8 | R1075 Q1076 H1081 Q1082 S1083 | R1075-R1079 PolarHBondContact O-N 3.44Å; Q1076-R1079 PolarHBondContact O-N 3.19Å; Q1076-R1079 VanDerWaalsContact O-N 3.09Å; R1079-H1081 PolarHBondContact O-N 3.07Å; R1079-Q1082 WeakPolarHBondContact O-CA 3.44Å; R1079-Q1082 PolarHBondContact O-N 2.74Å; R1079-S1083 PolarHBondContact O-N 2.98Å; R1079-S1083 PolarHBondContact O-OG 3.28Å |
| 1080 | F | 49.1 | Very low | 47 | Very low | 139 Ų | 139 | 132.2 Ų | 132.2 | 61% | 0.61 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -58.2 | -29.8 | 173.6 | -81 | -71.8 | 0 | 0 | 0 | 113.8 | Q1076 S1083 N1084 | Q1076-F1080 HydrophobicContact CG-CE2 4.28Å; Q1076-F1080 WeakPolarHBondContact O-CD2 3.43Å; Q1076-F1080 PolarHBondContact O-N 3.12Å; F1080-S1083 PolarHBondContact O-OG 2.85Å; F1080-S1083 VanDerWaalsContact O-OG 3.09Å; F1080-N1084 PolarHBondContact O-OD1 3.17Å |
| 1081 | H | 53.2 | Low | 44.8 | Very low | 153 Ų | 153 | 128.6 Ų | 128.6 | 71% | 0.708 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -81.3 | -11.4 | 173.1 | -83.7 | -56.3 | 0 | 0 | 0 | 114.3 | R1077 Q1078 R1079 | R1077-H1081 PolarHBondContact O-CD2 3.41Å; R1077-H1081 PolarHBondContact O-N 3.04Å; Q1078-H1081 PolarHBondContact O-N 3.15Å; R1079-H1081 PolarHBondContact O-N 3.07Å |
| 1082 | Q | 49.7 | Very low | 43.4 | Very low | 143 Ų | 143 | 131.6 Ų | 131.6 | 67% | 0.668 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -96.7 | -32.1 | 176 | -71.5 | 179.2 | -54.1 | 0 | 0 | 112.1 | Q1078 R1079 | Q1078-Q1082 WeakPolarHBondContact O-CG 3.27Å; Q1078-Q1082 PolarHBondContact O-N 2.65Å; R1079-Q1082 WeakPolarHBondContact O-CA 3.44Å; R1079-Q1082 PolarHBondContact O-N 2.74Å |
| 1083 | S | 45.1 | Very low | 41.9 | Very low | 74 Ų | 74 | 131.8 Ų | 131.8 | 52% | 0.517 | 69% | 0.688 | S | S | . | * | H | α-helix | trans | -63.6 | -40.7 | 173.8 | 52 | 0 | 0 | 0 | 0 | 112.8 | R1079 F1080 M1085 | R1079-S1083 PolarHBondContact O-N 2.98Å; R1079-S1083 PolarHBondContact O-OG 3.28Å; F1080-S1083 PolarHBondContact O-OG 2.85Å; F1080-S1083 VanDerWaalsContact O-OG 3.09Å; S1083-M1085 PolarHBondContact O-N 3.13Å |
| 1084 | N | 37.6 | Very low | 41.2 | Very low | 123 Ų | 123 | 135 Ų | 135 | 66% | 0.658 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | 26.3 | -172.3 | -69.8 | 39.9 | 0 | 0 | 0 | 114.3 | F1080 | F1080-N1084 PolarHBondContact O-OD1 3.17Š|
| 1085 | M | 34.1 | Very low | 39.9 | Very low | 156 Ų | 156 | 134.6 Ų | 134.6 | 77% | 0.768 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.5 | 33.9 | -174.5 | -75.1 | -79.4 | 111.7 | 0 | 0 | 112.7 | S1083 | S1083-M1085 PolarHBondContact O-N 3.13Š|
| 1086 | S | 31.5 | Very low | 38.8 | Very low | 107 Ų | 107 | 137.5 Ų | 137.5 | 75% | 0.748 | 72% | 0.721 | S | S | * | * | trans | -148.2 | 62.6 | -178.6 | -64.7 | 0 | 0 | 0 | 0 | 114 | ||||
| 1087 | I | 30.9 | Very low | 38.1 | Very low | 149 Ų | 149 | 137.5 Ų | 137.5 | 76% | 0.764 | 73% | 0.731 | S | S | * | * | trans | -138.2 | 124.5 | 165.7 | -62.8 | -178.3 | 0 | 0 | 0 | 108.4 | ||||
| 1088 | Q | 28 | Very low | 36.7 | Very low | 180 Ų | 180 | 137.2 Ų | 137.2 | 84% | 0.841 | 74% | 0.738 | S | S | * | * | trans | 62.1 | 145.5 | 167.5 | -69.4 | 166.9 | 3.5 | 0 | 0 | 118.7 | ||||
| 1089 | S | 26.6 | Very low | 35.5 | Very low | 106 Ų | 106 | 140 Ų | 140 | 74% | 0.741 | 76% | 0.755 | S | S | * | * | cis | -169.1 | 160 | -34.5 | 34.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1090 | P | 41.1 | Very low | 34.3 | Very low | 129 Ų | 129 | 136.2 Ų | 136.2 | 84% | 0.838 | 76% | 0.759 | S | S | * | * | trans | -100 | 165.7 | -168 | 38.5 | -36.2 | 0 | 0 | 0 | 116 | ||||
| 1091 | S | 30 | Very low | 33.2 | Very low | 110 Ų | 110 | 133.4 Ų | 133.4 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | trans | -156.6 | 155.8 | 167.3 | 58.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1092 | S | 34.4 | Very low | 32.1 | Very low | 124 Ų | 124 | 134.8 Ų | 134.8 | 87% | 0.867 | 78% | 0.775 | S | S | * | * | trans | 56.6 | 134.5 | -175.1 | 67.9 | 0 | 0 | 0 | 0 | 118 | ||||
| 1093 | G | 25.4 | Very low | 31 | Very low | 74 Ų | 74 | 134.3 Ų | 134.3 | 76% | 0.763 | 78% | 0.777 | S | S | * | * | cis | 106.5 | 101.4 | -16.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1094 | D | 37.2 | Very low | 30.3 | Very low | 155 Ų | 155 | 136.4 Ų | 136.4 | 83% | 0.829 | 79% | 0.792 | S | S | * | * | trans | -160.2 | 177.9 | 159.6 | -136.1 | -31 | 0 | 0 | 0 | 113.5 | ||||
| 1095 | N | 26 | Very low | 29.7 | Very low | 142 Ų | 142 | 137.7 Ų | 137.7 | 76% | 0.759 | 80% | 0.799 | S | S | * | * | trans | -125.2 | 170.2 | -153.5 | -62.5 | -93.2 | 0 | 0 | 0 | 117.7 | ||||
| 1096 | R | 26.7 | Very low | 29.3 | Very low | 235 Ų | 235 | 137.3 Ų | 137.3 | 89% | 0.887 | 80% | 0.8 | S | S | * | * | 112.9 | 130.9 | 127.6 | -130.9 | 179.6 | -170.2 | 173.4 | 1.5 | 122.1 | |||||
| 1097 | S | 31.4 | Very low | 29 | Very low | 91 Ų | 91 | 139.2 Ų | 139.2 | 64% | 0.636 | 80% | 0.801 | S | S | * | * | trans | 65.3 | 110.8 | 142.3 | 50.3 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 1098 | E | 23.9 | Very low | 28.6 | Very low | 182 Ų | 182 | 136.8 Ų | 136.8 | 85% | 0.85 | 80% | 0.798 | S | S | * | * | 46.1 | 123 | 122.1 | -60.3 | 178.1 | 172 | 0 | 0 | 123.1 | |||||
| 1099 | L | 30.2 | Very low | 28.5 | Very low | 171 Ų | 171 | 136 Ų | 136 | 90% | 0.895 | 80% | 0.797 | S | S | * | * | -175.9 | -179.8 | 114.1 | -101.3 | 168.5 | 0 | 0 | 0 | 113.8 | |||||
| 1100 | S | 27.4 | Very low | 28.4 | Very low | 118 Ų | 118 | 135.8 Ų | 135.8 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | trans | -79 | 168.9 | -166.3 | 54.4 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1101 | G | 27.3 | Very low | 27.6 | Very low | 79 Ų | 79 | 140.8 Ų | 140.8 | 81% | 0.814 | 80% | 0.798 | S | S | * | * | trans | 161.8 | 139.5 | 161.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1102 | H | 30.4 | Very low | 27.4 | Very low | 182 Ų | 182 | 140.7 Ų | 140.7 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | trans | -84.5 | 160.6 | 179.9 | -93.3 | -80.3 | 0 | 0 | 0 | 114.9 | ||||
| 1103 | N | 26.9 | Very low | 27.2 | Very low | 133 Ų | 133 | 142.3 Ų | 142.3 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | trans | 73.8 | 82.1 | 151.7 | -64.9 | -1.6 | 0 | 0 | 0 | 120.4 | N1105 | N1103-N1105 PolarHBondContact O-N 3.1Š| ||
| 1104 | S | 29.9 | Very low | 27.2 | Very low | 118 Ų | 118 | 145.1 Ų | 145.1 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | 47.5 | 72.6 | 118.2 | 67 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 1105 | N | 25.5 | Very low | 26.9 | Very low | 150 Ų | 150 | 141.2 Ų | 141.2 | 80% | 0.802 | 79% | 0.785 | S | S | * | * | trans | -149.5 | 156 | 144.8 | -151.7 | -16.4 | 0 | 0 | 0 | 109.7 | N1103 | N1103-N1105 PolarHBondContact O-N 3.1Š| ||
| 1106 | L | 25.5 | Very low | 27.1 | Very low | 149 Ų | 149 | 140.6 Ų | 140.6 | 78% | 0.78 | 78% | 0.781 | S | S | * | * | S | Bend | trans | 68.5 | 146.5 | -173.2 | -58.9 | 164 | 0 | 0 | 0 | 116.8 | ||
| 1107 | N | 24.2 | Very low | 27.4 | Very low | 147 Ų | 147 | 137.4 Ų | 137.4 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | trans | 14.7 | 136.9 | 154.2 | -54 | -11.9 | 0 | 0 | 0 | 120.2 | ||||
| 1108 | S | 23.4 | Very low | 27.2 | Very low | 98 Ų | 98 | 140.4 Ų | 140.4 | 69% | 0.685 | 79% | 0.791 | S | S | * | * | cis | -170.2 | 135.5 | -4.3 | 44.4 | 0 | 0 | 0 | 0 | 110.1 | S1110 | S1108-S1110 PolarHBondContact O-N 3.28Å; S1108-S1110 VanDerWaalsContact O-N 3.11Å | ||
| 1109 | I | 25.2 | Very low | 27.5 | Very low | 163 Ų | 163 | 140.7 Ų | 140.7 | 84% | 0.836 | 79% | 0.792 | S | S | * | * | trans | -83.3 | 88.1 | 175.2 | -57.6 | 178 | 0 | 0 | 0 | 109.9 | R1111 | I1109-R1111 HydrophobicContact CG2-CG 4.28Å; I1109-R1111 PolarHBondContact O-N 3.01Å | ||
| 1110 | S | 25 | Very low | 27.6 | Very low | 102 Ų | 102 | 142.3 Ų | 142.3 | 71% | 0.713 | 80% | 0.795 | S | S | * | * | trans | -80 | 102.6 | 160.6 | 50.2 | 0 | 0 | 0 | 0 | 109.1 | S1108 | S1108-S1110 PolarHBondContact O-N 3.28Å; S1108-S1110 VanDerWaalsContact O-N 3.11Å | ||
| 1111 | R | 24.9 | Very low | 27.6 | Very low | 234 Ų | 234 | 143.8 Ų | 143.8 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | trans | -80.2 | 128.4 | 168.2 | -94.7 | -172.8 | 172.9 | 179.5 | -2.3 | 110.2 | I1109 | I1109-R1111 HydrophobicContact CG2-CG 4.28Å; I1109-R1111 PolarHBondContact O-N 3.01Å | ||
| 1112 | T | 25.6 | Very low | 27.7 | Very low | 108 Ų | 108 | 146.3 Ų | 146.3 | 66% | 0.663 | 79% | 0.787 | S | S | * | * | trans | -80.5 | 150.3 | 175.8 | 43 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1113 | N | 29.3 | Very low | 27.7 | Very low | 158 Ų | 158 | 144.9 Ų | 144.9 | 85% | 0.845 | 79% | 0.786 | S | S | * | * | trans | -152.8 | 115.5 | 144.2 | -87 | -15 | 0 | 0 | 0 | 102 | ||||
| 1114 | I | 26.2 | Very low | 27.8 | Very low | 133 Ų | 133 | 145.8 Ų | 145.8 | 68% | 0.682 | 79% | 0.79 | S | S | * | * | cis | 60.4 | 122.2 | 44.6 | -47.4 | 177.8 | 0 | 0 | 0 | 110 | ||||
| 1115 | G | 30.9 | Very low | 28.2 | Very low | 73 Ų | 73 | 145.9 Ų | 145.9 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | trans | 149.1 | 73.9 | -157.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1116 | D | 29.3 | Very low | 28.7 | Very low | 129 Ų | 129 | 147.4 Ų | 147.4 | 69% | 0.69 | 78% | 0.779 | S | S | * | * | trans | -79.4 | 150.2 | -164.5 | -43.1 | -87.6 | 0 | 0 | 0 | 112.8 | ||||
| 1117 | N | 33.5 | Very low | 29.2 | Very low | 167 Ų | 167 | 146.9 Ų | 146.9 | 89% | 0.893 | 78% | 0.776 | S | S | * | * | -179.6 | 132.3 | 124.6 | -88.8 | -35.5 | 0 | 0 | 0 | 109.9 | |||||
| 1118 | D | 27.5 | Very low | 30 | Very low | 155 Ų | 155 | 147.4 Ų | 147.4 | 83% | 0.829 | 77% | 0.767 | S | S | * | * | trans | -83 | 175.7 | 173.4 | -67.2 | -67.7 | 0 | 0 | 0 | 111.9 | ||||
| 1119 | Q | 28.7 | Very low | 30.8 | Very low | 187 Ų | 187 | 149.9 Ų | 149.9 | 87% | 0.874 | 77% | 0.768 | S | S | * | * | trans | 68.9 | 83.3 | 163.6 | -55.6 | -177.6 | 7.6 | 0 | 0 | 117.3 | ||||
| 1120 | E | 33.7 | Very low | 31.4 | Very low | 206 Ų | 206 | 147.7 Ų | 147.7 | 96% | 0.963 | 76% | 0.758 | S | S | * | * | -141.5 | 94.6 | 129.1 | -126.5 | 171.6 | -151.9 | 0 | 0 | 109.1 | |||||
| 1121 | L | 27.7 | Very low | 32.3 | Very low | 149 Ų | 149 | 149.2 Ų | 149.2 | 78% | 0.78 | 75% | 0.754 | S | S | * | * | trans | -102 | 154.6 | 168.5 | -105 | 167.7 | 0 | 0 | 0 | 108.5 | ||||
| 1122 | D | 29.6 | Very low | 33.4 | Very low | 131 Ų | 131 | 142.9 Ų | 142.9 | 70% | 0.701 | 74% | 0.737 | S | S | * | * | trans | 57.4 | 85.4 | 165.4 | -54 | -27.9 | 0 | 0 | 0 | 117.2 | ||||
| 1123 | N | 29.3 | Very low | 34.2 | Very low | 153 Ų | 153 | 143.2 Ų | 143.2 | 82% | 0.818 | 73% | 0.733 | S | S | * | * | trans | -165.3 | 147.7 | 135.7 | -108.3 | -58.1 | 0 | 0 | 0 | 114.1 | ||||
| 1124 | I | 29.2 | Very low | 35.1 | Very low | 152 Ų | 152 | 138.8 Ų | 138.8 | 78% | 0.779 | 72% | 0.715 | S | S | * | * | trans | 68.3 | 130.7 | 161.1 | -59.3 | 158.8 | 0 | 0 | 0 | 116 | ||||
| 1125 | E | 38.3 | Very low | 35.3 | Very low | 119 Ų | 119 | 138.5 Ų | 138.5 | 56% | 0.556 | 71% | 0.712 | S | S | * | * | cis | -134.5 | 134.7 | -0.7 | -150.2 | 173.8 | 166.7 | 0 | 0 | 110.8 | L1127 R1128 | E1125-L1127 PolarHBondContact O-N 3.09Å; E1125-R1128 IonicContact OE1-CZ 3.56Å; E1125-R1128 VanDerWaalsContact OE1-CZ 3.29Å; E1125-R1128 IonicContact OE1-NH1 3.26Å; E1125-R1128 PolarHBondContact OE1-NH1 3.29Å; E1125-R1128 IonicContact OE1-NH2 2.6Å; E1125-R1128 PolarHBondContact OE1-NH2 3.23Å | ||
| 1126 | E | 35.1 | Very low | 35.9 | Very low | 183 Ų | 183 | 139.8 Ų | 139.8 | 86% | 0.855 | 70% | 0.702 | S | S | * | * | trans | -75.6 | 115.4 | 167.9 | -175.4 | 166.9 | -149.5 | 0 | 0 | 108.9 | R1128 | E1126-R1128 PolarHBondContact O-N 2.96Š| ||
| 1127 | L | 37.7 | Very low | 36.8 | Very low | 137 Ų | 137 | 136.8 Ų | 136.8 | 72% | 0.717 | 69% | 0.691 | S | S | * | * | trans | -70.2 | 106.7 | -176.8 | -77.3 | 170.7 | 0 | 0 | 0 | 110.4 | E1125 | E1125-L1127 PolarHBondContact O-N 3.09Š| ||
| 1128 | R | 40 | Very low | 37.3 | Very low | 158 Ų | 158 | 133.3 Ų | 133.3 | 60% | 0.596 | 67% | 0.672 | S | S | * | * | trans | -44.7 | 136 | -174.6 | -62.8 | 176 | -175.4 | 72.8 | 10 | 113.1 | E1125 E1126 D1130 E1131 | E1125-R1128 IonicContact OE1-CZ 3.56Å; E1125-R1128 VanDerWaalsContact OE1-CZ 3.29Å; E1125-R1128 IonicContact OE1-NH1 3.26Å; E1125-R1128 PolarHBondContact OE1-NH1 3.29Å; E1125-R1128 IonicContact OE1-NH2 2.6Å; E1125-R1128 PolarHBondContact OE1-NH2 3.23Å; E1126-R1128 PolarHBondContact O-N 2.96Å; R1128-D1130 PolarHBondContact O-N 3.15Å; R1128-E1131 PolarHBondContact O-N 2.83Å; R1128-E1131 VanDerWaalsContact O-N 3.17Å | ||
| 1129 | E | 40.1 | Very low | 38.6 | Very low | 151 Ų | 151 | 132.7 Ų | 132.7 | 71% | 0.706 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.2 | -19.4 | -176.8 | -57 | -172.2 | 122.9 | 0 | 0 | 113.6 | E1131 I1132 I1133 | E1129-E1131 VanDerWaalsContact C-N 3.26Å; E1129-E1131 PolarHBondContact O-N 3.38Å; E1129-I1132 WeakPolarHBondContact O-CA 3.24Å; E1129-I1132 WeakPolarHBondContact O-CB 3.41Å; E1129-I1132 PolarHBondContact O-N 3.49Å; E1129-I1133 PolarHBondContact O-N 3.41Å |
| 1130 | D | 38.1 | Very low | 40.2 | Very low | 116 Ų | 116 | 130 Ų | 130 | 62% | 0.62 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -52.9 | -38 | 173.6 | -58.8 | -55.9 | 0 | 0 | 0 | 113.3 | R1128 I1132 S1134 | R1128-D1130 PolarHBondContact O-N 3.15Å; D1130-I1132 VanDerWaalsContact C-N 3.33Å; D1130-S1134 VanDerWaalsContact O-CB 3.31Å; D1130-S1134 WeakPolarHBondContact O-CB 3.5Å; D1130-S1134 PolarHBondContact O-N 2.7Å |
| 1131 | E | 44.1 | Very low | 41.3 | Very low | 134 Ų | 134 | 125.8 Ų | 125.8 | 63% | 0.626 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -69.1 | -32.5 | 175.2 | -71.7 | -150.7 | 140.8 | 0 | 0 | 112 | R1128 E1129 S1134 M1135 | R1128-E1131 PolarHBondContact O-N 2.83Å; R1128-E1131 VanDerWaalsContact O-N 3.17Å; E1129-E1131 VanDerWaalsContact C-N 3.26Å; E1129-E1131 PolarHBondContact O-N 3.38Å; E1131-S1134 WeakPolarHBondContact O-CB 3.49Å; E1131-S1134 PolarHBondContact O-N 3.39Å; E1131-M1135 WeakPolarHBondContact O-CG 3.47Å; E1131-M1135 PolarHBondContact O-N 3.2Å |
| 1132 | I | 47 | Very low | 42.8 | Very low | 102 Ų | 102 | 121.5 Ų | 121.5 | 52% | 0.523 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -70 | -43.1 | 177.7 | -54.2 | 178.3 | 0 | 0 | 0 | 109.9 | E1129 D1130 S1134 M1135 N1136 | E1129-I1132 WeakPolarHBondContact O-CA 3.24Å; E1129-I1132 WeakPolarHBondContact O-CB 3.41Å; E1129-I1132 PolarHBondContact O-N 3.49Å; D1130-I1132 VanDerWaalsContact C-N 3.33Å; I1132-S1134 VanDerWaalsContact C-N 3.34Å; I1132-M1135 PolarHBondContact O-N 3.22Å; I1132-N1136 PolarHBondContact O-N 3.16Å |
| 1133 | I | 42.8 | Very low | 44.3 | Very low | 114 Ų | 114 | 121.2 Ų | 121.2 | 59% | 0.585 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -63.4 | -41.8 | 174.7 | -62.8 | 170.1 | 0 | 0 | 0 | 110.4 | E1129 M1135 N1136 S1137 | E1129-I1133 PolarHBondContact O-N 3.41Å; I1133-M1135 PolarHBondContact O-N 2.82Å; I1133-N1136 PolarHBondContact O-N 3.26Å; I1133-S1137 PolarHBondContact O-N 2.84Å; I1133-S1137 VanDerWaalsContact O-N 3.12Å |
| 1134 | S | 48.3 | Very low | 45.9 | Very low | 66 Ų | 66 | 117.6 Ų | 117.6 | 46% | 0.462 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -59.5 | -42.1 | 173.2 | -178.5 | 0 | 0 | 0 | 0 | 112.6 | D1130 E1131 I1132 S1137 N1138 | D1130-S1134 VanDerWaalsContact O-CB 3.31Å; D1130-S1134 WeakPolarHBondContact O-CB 3.5Å; D1130-S1134 PolarHBondContact O-N 2.7Å; E1131-S1134 WeakPolarHBondContact O-CB 3.49Å; E1131-S1134 PolarHBondContact O-N 3.39Å; I1132-S1134 VanDerWaalsContact C-N 3.34Å; S1134-S1137 WeakPolarHBondContact O-CB 3.42Å; S1134-S1137 PolarHBondContact O-N 3.3Å; S1134-S1137 PolarHBondContact O-OG 2.92Å; S1134-N1138 PolarHBondContact O-ND2 3.2Å |
| 1135 | M | 31.2 | Very low | 47.6 | Very low | 126 Ų | 126 | 114.7 Ų | 114.7 | 62% | 0.621 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -66 | -39.1 | 176.5 | -73.9 | -160.5 | 73.3 | 0 | 0 | 112.8 | E1131 I1132 I1133 S1137 N1138 E1139 | E1131-M1135 WeakPolarHBondContact O-CG 3.47Å; E1131-M1135 PolarHBondContact O-N 3.2Å; I1132-M1135 PolarHBondContact O-N 3.22Å; I1133-M1135 PolarHBondContact O-N 2.82Å; M1135-S1137 VanDerWaalsContact C-N 3.28Å; M1135-S1137 PolarHBondContact O-N 3.14Å; M1135-N1138 WeakPolarHBondContact O-CB 3.5Å; M1135-N1138 PolarHBondContact O-N 2.81Å; M1135-N1138 VanDerWaalsContact O-N 3.11Å; M1135-E1139 PolarHBondContact O-N 3.27Å |
| 1136 | N | 43.5 | Very low | 48.6 | Very low | 101 Ų | 101 | 111.9 Ų | 111.9 | 54% | 0.54 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -64.4 | -31.7 | 174.9 | -74.7 | -16.1 | 0 | 0 | 0 | 112.6 | I1132 I1133 N1138 E1139 K1140 | I1132-N1136 PolarHBondContact O-N 3.16Å; I1133-N1136 PolarHBondContact O-N 3.26Å; N1136-N1138 PolarHBondContact O-N 2.98Å; N1136-E1139 PolarHBondContact O-N 2.85Å; N1136-K1140 PolarHBondContact O-N 2.84Å |
| 1137 | S | 47.2 | Very low | 49.1 | Very low | 66 Ų | 66 | 106.9 Ų | 106.9 | 46% | 0.462 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -60.5 | -30.9 | 173.5 | 82.6 | 0 | 0 | 0 | 0 | 112.8 | I1133 S1134 M1135 Q1141 | I1133-S1137 PolarHBondContact O-N 2.84Å; I1133-S1137 VanDerWaalsContact O-N 3.12Å; S1134-S1137 WeakPolarHBondContact O-CB 3.42Å; S1134-S1137 PolarHBondContact O-N 3.3Å; S1134-S1137 PolarHBondContact O-OG 2.92Å; M1135-S1137 VanDerWaalsContact C-N 3.28Å; M1135-S1137 PolarHBondContact O-N 3.14Å; S1137-Q1141 WeakPolarHBondContact O-CB 3.25Å; S1137-Q1141 PolarHBondContact O-N 2.88Å |
| 1138 | N | 43.9 | Very low | 49.7 | Very low | 94 Ų | 94 | 103.7 Ų | 103.7 | 50% | 0.503 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -78.4 | -32.8 | 179.7 | -75.8 | -94.9 | 0 | 0 | 0 | 112.8 | S1134 M1135 N1136 A1142 | S1134-N1138 PolarHBondContact O-ND2 3.2Å; M1135-N1138 WeakPolarHBondContact O-CB 3.5Å; M1135-N1138 PolarHBondContact O-N 2.81Å; M1135-N1138 VanDerWaalsContact O-N 3.11Å; N1136-N1138 PolarHBondContact O-N 2.98Å; N1138-A1142 WeakPolarHBondContact O-CB 3.28Å; N1138-A1142 PolarHBondContact O-N 2.95Å |
| 1139 | E | 55.8 | Low | 49.6 | Very low | 141 Ų | 141 | 101.5 Ų | 101.5 | 66% | 0.659 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -75.1 | -41.9 | 174.3 | -164.7 | 142.3 | -127 | 0 | 0 | 110.2 | M1135 N1136 Q1141 A1142 E1143 | M1135-E1139 PolarHBondContact O-N 3.27Å; N1136-E1139 PolarHBondContact O-N 2.85Å; E1139-Q1141 PolarHBondContact O-N 3.27Å; E1139-A1142 WeakPolarHBondContact O-CB 3.08Å; E1139-A1142 PolarHBondContact O-N 2.95Å; E1139-A1142 VanDerWaalsContact O-N 3.09Å; E1139-E1143 PolarHBondContact O-N 3.32Å |
| 1140 | K | 61.4 | Low | 49.7 | Very low | 132 Ų | 132 | 99.9 Ų | 99.9 | 57% | 0.574 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -59.7 | -43.4 | 169 | -175.7 | 173.3 | 179 | 179.2 | 0 | 112 | N1136 A1142 E1143 D1144 | N1136-K1140 PolarHBondContact O-N 2.84Å; K1140-A1142 VanDerWaalsContact C-N 3.27Å; K1140-A1142 PolarHBondContact O-N 3.02Å; K1140-E1143 CarbonylContact O-C 3.56Å; K1140-E1143 PolarHBondContact O-N 2.9Å; K1140-E1143 VanDerWaalsContact O-N 3.17Å; K1140-D1144 WeakPolarHBondContact O-CB 3.5Å; K1140-D1144 PolarHBondContact O-N 2.74Å |
| 1141 | Q | 57.6 | Low | 49.9 | Very low | 117 Ų | 117 | 100.9 Ų | 100.9 | 55% | 0.547 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.2 | -28.6 | 175.7 | -172.4 | 176.9 | 89.5 | 0 | 0 | 112.3 | S1137 E1139 I1145 | S1137-Q1141 WeakPolarHBondContact O-CB 3.25Å; S1137-Q1141 PolarHBondContact O-N 2.88Å; E1139-Q1141 PolarHBondContact O-N 3.27Å; Q1141-I1145 HydrophobicContact CG-CD1 4.02Å; Q1141-I1145 HydrophobicContact CG-CG1 4.46Å; Q1141-I1145 VanDerWaalsContact O-CB 3.25Å; Q1141-I1145 WeakPolarHBondContact O-CB 3.3Å; Q1141-I1145 WeakPolarHBondContact O-CD1 3.37Å; Q1141-I1145 WeakPolarHBondContact O-CG1 3.19Å; Q1141-I1145 PolarHBondContact O-N 2.95Å |
| 1142 | A | 58 | Low | 49.4 | Very low | 59 Ų | 59 | 105.2 Ų | 105.2 | 49% | 0.488 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -71.4 | -37 | 172 | 0 | 0 | 0 | 0 | 0 | 112.3 | N1138 E1139 K1140 S1146 | N1138-A1142 WeakPolarHBondContact O-CB 3.28Å; N1138-A1142 PolarHBondContact O-N 2.95Å; E1139-A1142 WeakPolarHBondContact O-CB 3.08Å; E1139-A1142 PolarHBondContact O-N 2.95Å; E1139-A1142 VanDerWaalsContact O-N 3.09Å; K1140-A1142 VanDerWaalsContact C-N 3.27Å; K1140-A1142 PolarHBondContact O-N 3.02Å; A1142-S1146 WeakPolarHBondContact O-CB 3Å; A1142-S1146 PolarHBondContact O-N 3.45Å |
| 1143 | E | 61.3 | Low | 48.6 | Very low | 125 Ų | 125 | 103.3 Ų | 103.3 | 58% | 0.584 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -68.7 | -45.4 | 170.3 | -68.9 | -166.5 | 141.8 | 0 | 0 | 111.7 | E1139 K1140 I1145 S1146 N1147 | E1139-E1143 PolarHBondContact O-N 3.32Å; K1140-E1143 CarbonylContact O-C 3.56Å; K1140-E1143 PolarHBondContact O-N 2.9Å; K1140-E1143 VanDerWaalsContact O-N 3.17Å; E1143-I1145 VanDerWaalsContact C-N 3.29Å; E1143-I1145 PolarHBondContact O-N 3.21Å; E1143-S1146 CarbonylContact O-C 3.3Å; E1143-S1146 WeakPolarHBondContact O-CA 3.42Å; E1143-S1146 WeakPolarHBondContact O-CB 3.45Å; E1143-S1146 PolarHBondContact O-N 2.93Å; E1143-N1147 VanDerWaalsContact O-CB 3.28Å; E1143-N1147 WeakPolarHBondContact O-CB 3.5Å; E1143-N1147 PolarHBondContact O-N 2.89Å; E1143-N1147 PolarHBondContact O-ND2 3.37Å |
| 1144 | D | 63.5 | Low | 48 | Very low | 76 Ų | 76 | 100.6 Ų | 100.6 | 41% | 0.406 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.7 | -32.4 | 176 | -71.8 | -26.1 | 0 | 0 | 0 | 111.8 | K1140 S1148 | K1140-D1144 WeakPolarHBondContact O-CB 3.5Å; K1140-D1144 PolarHBondContact O-N 2.74Å; D1144-S1148 WeakPolarHBondContact O-CA 3.36Å; D1144-S1148 WeakPolarHBondContact O-CB 3.43Å; D1144-S1148 PolarHBondContact O-N 3.19Å; D1144-S1148 PolarHBondContact O-OG 3.07Å |
| 1145 | I | 65.4 | Low | 47.2 | Very low | 91 Ų | 91 | 104 Ų | 104 | 47% | 0.467 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -72 | -39.2 | 169.2 | -73.5 | 167.2 | 0 | 0 | 0 | 111.2 | Q1141 E1143 L1149 | Q1141-I1145 HydrophobicContact CG-CD1 4.02Å; Q1141-I1145 HydrophobicContact CG-CG1 4.46Å; Q1141-I1145 VanDerWaalsContact O-CB 3.25Å; Q1141-I1145 WeakPolarHBondContact O-CB 3.3Å; Q1141-I1145 WeakPolarHBondContact O-CD1 3.37Å; Q1141-I1145 WeakPolarHBondContact O-CG1 3.19Å; Q1141-I1145 PolarHBondContact O-N 2.95Å; E1143-I1145 VanDerWaalsContact C-N 3.29Å; E1143-I1145 PolarHBondContact O-N 3.21Å; I1145-L1149 HydrophobicContact CG2-CD1 3.91Å; I1145-L1149 HydrophobicContact CG2-CG 4.42Å; I1145-L1149 VanDerWaalsContact O-CB 3.27Å; I1145-L1149 WeakPolarHBondContact O-CB 3.48Å; I1145-L1149 WeakPolarHBondContact O-CG 3.49Å; I1145-L1149 PolarHBondContact O-N 3.29Å |
| 1146 | S | 59.3 | Low | 47.2 | Very low | 61 Ų | 61 | 103 Ų | 103 | 43% | 0.427 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64.2 | -44.7 | 175.5 | -171.7 | 0 | 0 | 0 | 0 | 111.4 | A1142 E1143 L1149 L1150 | A1142-S1146 WeakPolarHBondContact O-CB 3Å; A1142-S1146 PolarHBondContact O-N 3.45Å; E1143-S1146 CarbonylContact O-C 3.3Å; E1143-S1146 WeakPolarHBondContact O-CA 3.42Å; E1143-S1146 WeakPolarHBondContact O-CB 3.45Å; E1143-S1146 PolarHBondContact O-N 2.93Å; S1146-L1149 CarbonylContact O-C 3.54Å; S1146-L1149 PolarHBondContact O-N 3.01Å; S1146-L1150 WeakPolarHBondContact O-CB 3.12Å; S1146-L1150 WeakPolarHBondContact O-CG 3.35Å; S1146-L1150 PolarHBondContact O-N 3.33Å |
| 1147 | N | 44.3 | Very low | 46.9 | Very low | 77 Ų | 77 | 105 Ų | 105 | 41% | 0.412 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -69 | -41.6 | 177.1 | -65.8 | -21.1 | 0 | 0 | 0 | 110.6 | E1143 L1149 L1150 I1151 | E1143-N1147 VanDerWaalsContact O-CB 3.28Å; E1143-N1147 WeakPolarHBondContact O-CB 3.5Å; E1143-N1147 PolarHBondContact O-N 2.89Å; E1143-N1147 PolarHBondContact O-ND2 3.37Å; N1147-L1149 VanDerWaalsContact C-N 3.29Å; N1147-L1149 PolarHBondContact O-N 3.29Å; N1147-L1150 CarbonylContact O-C 3.48Å; N1147-L1150 PolarHBondContact O-N 3.37Å; N1147-L1150 VanDerWaalsContact O-N 3.15Å; N1147-I1151 WeakPolarHBondContact O-CB 3.4Å; N1147-I1151 WeakPolarHBondContact O-CD1 3.36Å; N1147-I1151 VanDerWaalsContact O-CG1 3.22Å; N1147-I1151 WeakPolarHBondContact O-CG1 3.44Å; N1147-I1151 PolarHBondContact O-N 3.21Å |
| 1148 | S | 50.3 | Low | 46.5 | Very low | 71 Ų | 71 | 107.4 Ų | 107.4 | 50% | 0.497 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -64.2 | -32.9 | 171.3 | -65.1 | 0 | 0 | 0 | 0 | 112.4 | D1144 R1152 | D1144-S1148 WeakPolarHBondContact O-CA 3.36Å; D1144-S1148 WeakPolarHBondContact O-CB 3.43Å; D1144-S1148 PolarHBondContact O-N 3.19Å; D1144-S1148 PolarHBondContact O-OG 3.07Å; S1148-R1152 WeakPolarHBondContact O-CB 3.17Å; S1148-R1152 PolarHBondContact O-N 3.22Å |
| 1149 | L | 39.2 | Very low | 45.9 | Very low | 112 Ų | 112 | 108 Ų | 108 | 59% | 0.586 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -73.6 | -30.5 | 173 | -75.3 | 169.1 | 0 | 0 | 0 | 112.2 | I1145 S1146 N1147 A1153 | I1145-L1149 HydrophobicContact CG2-CD1 3.91Å; I1145-L1149 HydrophobicContact CG2-CG 4.42Å; I1145-L1149 VanDerWaalsContact O-CB 3.27Å; I1145-L1149 WeakPolarHBondContact O-CB 3.48Å; I1145-L1149 WeakPolarHBondContact O-CG 3.49Å; I1145-L1149 PolarHBondContact O-N 3.29Å; S1146-L1149 CarbonylContact O-C 3.54Å; S1146-L1149 PolarHBondContact O-N 3.01Å; N1147-L1149 VanDerWaalsContact C-N 3.29Å; N1147-L1149 PolarHBondContact O-N 3.29Å; L1149-A1153 WeakPolarHBondContact O-CB 3.3Å; L1149-A1153 PolarHBondContact O-N 3.45Å |
| 1150 | L | 41.4 | Very low | 45.3 | Very low | 116 Ų | 116 | 104.5 Ų | 104.5 | 61% | 0.607 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -74.5 | -35.9 | 172 | -80.4 | 158 | 0 | 0 | 0 | 112.8 | S1146 N1147 A1153 | S1146-L1150 WeakPolarHBondContact O-CB 3.12Å; S1146-L1150 WeakPolarHBondContact O-CG 3.35Å; S1146-L1150 PolarHBondContact O-N 3.33Å; N1147-L1150 CarbonylContact O-C 3.48Å; N1147-L1150 PolarHBondContact O-N 3.37Å; N1147-L1150 VanDerWaalsContact O-N 3.15Å; L1150-A1153 CarbonylContact O-C 3.54Å |
| 1151 | I | 43.3 | Very low | 44.8 | Very low | 137 Ų | 137 | 101.9 Ų | 101.9 | 70% | 0.703 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -76.7 | -36.8 | 176.2 | -67.3 | 162.4 | 0 | 0 | 0 | 110.5 | N1147 G1154 | N1147-I1151 WeakPolarHBondContact O-CB 3.4Å; N1147-I1151 WeakPolarHBondContact O-CD1 3.36Å; N1147-I1151 VanDerWaalsContact O-CG1 3.22Å; N1147-I1151 WeakPolarHBondContact O-CG1 3.44Å; N1147-I1151 PolarHBondContact O-N 3.21Å; I1151-G1154 PolarHBondContact O-N 3.48Å |
| 1152 | R | 32.8 | Very low | 44.4 | Very low | 225 Ų | 225 | 98 Ų | 98 | 85% | 0.849 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -78.2 | -26 | 175.9 | -166.3 | 175.6 | -162.1 | 146.9 | 6.6 | 112.8 | S1148 G1154 | S1148-R1152 WeakPolarHBondContact O-CB 3.17Å; S1148-R1152 PolarHBondContact O-N 3.22Å; R1152-G1154 PolarHBondContact O-N 2.99Å |
| 1153 | A | 30.5 | Very low | 44.3 | Very low | 62 Ų | 62 | 99.3 Ų | 99.3 | 51% | 0.512 | 55% | 0.553 | S | S | . | * | S | Bend | trans | -83 | 60.7 | 157.6 | 0 | 0 | 0 | 0 | 0 | 109 | L1149 L1150 D1155 | L1149-A1153 WeakPolarHBondContact O-CB 3.3Å; L1149-A1153 PolarHBondContact O-N 3.45Å; L1150-A1153 CarbonylContact O-C 3.54Å; A1153-D1155 PolarHBondContact O-N 3.09Å |
| 1154 | G | 31.1 | Very low | 43.9 | Very low | 57 Ų | 57 | 102.6 Ų | 102.6 | 59% | 0.588 | 56% | 0.56 | S | S | * | * | trans | -66 | 79.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | I1151 R1152 P1156 | I1151-G1154 PolarHBondContact O-N 3.48Å; R1152-G1154 PolarHBondContact O-N 2.99Å; G1154-P1156 VanDerWaalsContact O-CD 3.26Å; G1154-P1156 WeakPolarHBondContact O-CD 3.18Å | ||
| 1155 | D | 29.7 | Very low | 43.5 | Very low | 138 Ų | 138 | 99.3 Ų | 99.3 | 74% | 0.738 | 54% | 0.542 | S | S | * | . | trans | -60 | 112.3 | 155.1 | -81.5 | -28.5 | 0 | 0 | 0 | 106 | A1153 | A1153-D1155 PolarHBondContact O-N 3.09Š| ||
| 1156 | P | 32.2 | Very low | 43.5 | Very low | 106 Ų | 106 | 96.1 Ų | 96.1 | 69% | 0.688 | 53% | 0.525 | S | S | * | . | trans | -59.7 | 155.6 | 169.4 | 28.8 | -34.7 | 0 | 0 | 0 | 108.5 | G1154 V1158 | G1154-P1156 VanDerWaalsContact O-CD 3.26Å; G1154-P1156 WeakPolarHBondContact O-CD 3.18Å; P1156-V1158 WeakPolarHBondContact O-CA 3.13Å; P1156-V1158 WeakPolarHBondContact O-CG2 3.21Å; P1156-V1158 PolarHBondContact O-N 3.04Å | ||
| 1157 | V | 36.1 | Very low | 43.5 | Very low | 142 Ų | 142 | 97.6 Ų | 97.6 | 86% | 0.861 | 53% | 0.528 | S | S | * | . | trans | -40.5 | 109.9 | 176 | 176.5 | 0 | 0 | 0 | 0 | 108.8 | E1159 | V1157-E1159 VanDerWaalsContact C-N 3.31Å; V1157-E1159 PolarHBondContact O-N 2.89Å | ||
| 1158 | V | 39.8 | Very low | 43.8 | Very low | 117 Ų | 117 | 94.9 Ų | 94.9 | 71% | 0.709 | 52% | 0.516 | S | S | * | . | trans | -72.3 | 92.8 | -166.9 | 179 | 0 | 0 | 0 | 0 | 108.1 | P1156 | P1156-V1158 WeakPolarHBondContact O-CA 3.13Å; P1156-V1158 WeakPolarHBondContact O-CG2 3.21Å; P1156-V1158 PolarHBondContact O-N 3.04Å | ||
| 1159 | E | 31.1 | Very low | 43.8 | Very low | 105 Ų | 105 | 92.3 Ų | 92.3 | 49% | 0.491 | 50% | 0.499 | S | S | . | . | trans | -47.2 | 128.1 | 174.4 | -71.5 | -170.8 | 157.1 | 0 | 0 | 108.4 | V1157 N1161 H1326 | V1157-E1159 VanDerWaalsContact C-N 3.31Å; V1157-E1159 PolarHBondContact O-N 2.89Å; E1159-N1161 VanDerWaalsContact C-N 3.35Å; E1159-N1161 PolarHBondContact O-N 2.91Å; E1159-H1326 IonicContact OE1-CE1 3.07Å; E1159-H1326 PolarHBondContact OE1-CE1 3.5Å; E1159-H1326 IonicContact OE1-ND1 2.65Å; E1159-H1326 PolarHBondContact OE1-ND1 3.17Å | ||
| 1160 | P | 44.3 | Very low | 44.3 | Very low | 68 Ų | 68 | 89.8 Ų | 89.8 | 44% | 0.442 | 49% | 0.486 | S | S | . | . | trans | -65.6 | 95.2 | -171.6 | 25.2 | -34.2 | 0 | 0 | 0 | 109.7 | P1162 L1165 | P1160-P1162 VanDerWaalsContact O-N 3.15Å; P1160-L1165 HydrophobicContact CB-CD1 4.11Å; P1160-L1165 HydrophobicContact CB-CD2 4.33Å; P1160-L1165 HydrophobicContact CB-CG 4.15Å; P1160-L1165 HydrophobicContact CG-CD1 4.02Å; P1160-L1165 VanDerWaalsContact O-CD1 3.23Å; P1160-L1165 WeakPolarHBondContact O-CD1 3.17Å; P1160-L1165 WeakPolarHBondContact O-CG 3.26Å | ||
| 1161 | N | 49.1 | Very low | 44.9 | Very low | 78 Ų | 78 | 89 Ų | 89 | 42% | 0.417 | 48% | 0.482 | S | S | . | . | trans | -37.2 | 119.2 | -170.9 | 175.3 | -43.1 | 0 | 0 | 0 | 111.4 | E1159 E1163 R1164 L1165 | E1159-N1161 VanDerWaalsContact C-N 3.35Å; E1159-N1161 PolarHBondContact O-N 2.91Å; N1161-E1163 PolarHBondContact O-N 3.46Å; N1161-E1163 VanDerWaalsContact O-N 3.14Å; N1161-E1163 WeakPolarHBondContact OD1-CB 3.42Å; N1161-E1163 PolarHBondContact OD1-N 2.88Å; N1161-R1164 HydrophobicContact CB-CB 4.45Å; N1161-R1164 HydrophobicContact CB-CG 4.26Å; N1161-R1164 WeakPolarHBondContact O-CA 3.29Å; N1161-R1164 WeakPolarHBondContact O-CB 3.46Å; N1161-R1164 PolarHBondContact O-N 3.23Å; N1161-L1165 PolarHBondContact O-N 3.41Å | ||
| 1162 | P | 51 | Low | 44.9 | Very low | 36 Ų | 36 | 82.9 Ų | 82.9 | 23% | 0.234 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -65.6 | -23.7 | -168.3 | 22.5 | -33.6 | 0 | 0 | 0 | 113.5 | P1160 R1164 L1165 Y1166 W1322 F1333 | P1160-P1162 VanDerWaalsContact O-N 3.15Å; P1162-R1164 VanDerWaalsContact C-N 3.31Å; P1162-R1164 PolarHBondContact O-N 3.31Å; P1162-L1165 PolarHBondContact O-N 3.49Å; P1162-Y1166 WeakPolarHBondContact O-CB 3.4Å; P1162-Y1166 PolarHBondContact O-N 2.89Å; P1162-W1322 HydrophobicContact CB-CE3 4.3Å; P1162-W1322 HydrophobicContact CB-CH2 3.51Å; P1162-W1322 HydrophobicContact CB-CZ2 4.14Å; P1162-W1322 HydrophobicContact CB-CZ3 3.57Å; P1162-W1322 HydrophobicContact CG-CH2 3.67Å; P1162-W1322 HydrophobicContact CG-CZ2 4.13Å; P1162-W1322 HydrophobicContact CG-CZ3 4.25Å; P1162-F1333 HydrophobicContact CB-CD2 3.98Å; P1162-F1333 HydrophobicContact CB-CE2 4.22Å; P1162-F1333 HydrophobicContact CB-CG 4.23Å; P1162-F1333 HydrophobicContact CG-CD2 4.2Å |
| 1163 | E | 54 | Low | 45.4 | Very low | 85 Ų | 85 | 74.9 Ų | 74.9 | 40% | 0.397 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -68.6 | -30.7 | 170.3 | -63.6 | -176.6 | -179.5 | 0 | 0 | 111.8 | N1161 N1167 F1333 K1336 | N1161-E1163 PolarHBondContact O-N 3.46Å; N1161-E1163 VanDerWaalsContact O-N 3.14Å; N1161-E1163 WeakPolarHBondContact OD1-CB 3.42Å; N1161-E1163 PolarHBondContact OD1-N 2.88Å; E1163-N1167 VanDerWaalsContact O-CB 3.29Å; E1163-N1167 WeakPolarHBondContact O-CB 2.96Å; E1163-N1167 PolarHBondContact O-N 3.37Å; E1163-N1167 PolarHBondContact O-ND2 2.95Å; E1163-F1333 HydrophobicContact CG-CE2 4.11Å; E1163-K1336 IonicContact OE1-NZ 2.66Å; E1163-K1336 PolarHBondContact OE1-NZ 3.42Å |
| 1164 | R | 54.9 | Low | 46.1 | Very low | 194 Ų | 194 | 74.4 Ų | 74.4 | 73% | 0.732 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -74.4 | -43 | 172 | -66.8 | -173.3 | 176.1 | -178.5 | 1.3 | 111.9 | N1161 P1162 Y1166 N1167 A1168 | N1161-R1164 HydrophobicContact CB-CB 4.45Å; N1161-R1164 HydrophobicContact CB-CG 4.26Å; N1161-R1164 WeakPolarHBondContact O-CA 3.29Å; N1161-R1164 WeakPolarHBondContact O-CB 3.46Å; N1161-R1164 PolarHBondContact O-N 3.23Å; P1162-R1164 VanDerWaalsContact C-N 3.31Å; P1162-R1164 PolarHBondContact O-N 3.31Å; R1164-Y1166 VanDerWaalsContact C-N 3.34Å; R1164-N1167 PolarHBondContact O-N 3.36Å; R1164-A1168 WeakPolarHBondContact O-CB 3.22Å; R1164-A1168 PolarHBondContact O-N 3.19Å |
| 1165 | L | 54.8 | Low | 46.6 | Very low | 7 Ų | 7 | 75.8 Ų | 75.8 | 4% | 0.037 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -57.3 | -48.1 | 172.5 | -76.4 | 174.4 | 0 | 0 | 0 | 110.9 | P1160 N1161 P1162 A1168 A1169 L1307 L1319 W1322 | P1160-L1165 HydrophobicContact CB-CD1 4.11Å; P1160-L1165 HydrophobicContact CB-CD2 4.33Å; P1160-L1165 HydrophobicContact CB-CG 4.15Å; P1160-L1165 HydrophobicContact CG-CD1 4.02Å; P1160-L1165 VanDerWaalsContact O-CD1 3.23Å; P1160-L1165 WeakPolarHBondContact O-CD1 3.17Å; P1160-L1165 WeakPolarHBondContact O-CG 3.26Å; N1161-L1165 PolarHBondContact O-N 3.41Å; P1162-L1165 PolarHBondContact O-N 3.49Å; L1165-A1168 WeakPolarHBondContact O-CB 3.38Å; L1165-A1168 PolarHBondContact O-N 3.44Å; L1165-A1169 WeakPolarHBondContact O-CB 3.46Å; L1165-A1169 PolarHBondContact O-N 3.44Å; L1165-L1307 HydrophobicContact CD2-CD1 3.85Å; L1165-L1307 HydrophobicContact CD2-CD2 3.75Å; L1165-L1307 HydrophobicContact CD2-CG 4.46Å; L1165-L1319 HydrophobicContact CB-CD1 4.01Å; L1165-L1319 HydrophobicContact CB-CG 4.43Å; L1165-W1322 HydrophobicContact CD1-CB 4.42Å; L1165-W1322 HydrophobicContact CD1-CD2 4.25Å; L1165-W1322 HydrophobicContact CD1-CG 4.12Å |
| 1166 | Y | 64.3 | Low | 47.2 | Very low | 25 Ų | 25 | 71 Ų | 71 | 10% | 0.098 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -67.1 | -39.1 | 178.6 | 178.7 | -107.4 | 0 | 0 | 0 | 113.3 | P1162 R1164 A1168 A1169 L1170 F1333 L1337 V1346 I1350 | P1162-Y1166 WeakPolarHBondContact O-CB 3.4Å; P1162-Y1166 PolarHBondContact O-N 2.89Å; R1164-Y1166 VanDerWaalsContact C-N 3.34Å; Y1166-A1168 VanDerWaalsContact C-N 3.33Å; Y1166-A1169 PolarHBondContact O-N 2.68Å; Y1166-L1170 HydrophobicContact CD1-CD1 3.91Å; Y1166-L1170 HydrophobicContact CD1-CG 4.31Å; Y1166-L1170 HydrophobicContact CE1-CD1 3.44Å; Y1166-L1170 VanDerWaalsContact CE1-CD1 3.44Å; Y1166-L1170 HydrophobicContact CE1-CG 3.96Å; Y1166-L1170 HydrophobicContact CE2-CD2 4.44Å; Y1166-L1170 HydrophobicContact CE2-CG 4.24Å; Y1166-L1170 WeakPolarHBondContact O-CB 3.3Å; Y1166-L1170 WeakPolarHBondContact O-CG 3.33Å; Y1166-L1170 PolarHBondContact O-N 3.46Å; Y1166-F1333 HydrophobicContact CD1-CZ 4.15Å; Y1166-F1333 HydrophobicContact CD2-CE1 4.35Å; Y1166-F1333 HydrophobicContact CD2-CZ 4.16Å; Y1166-F1333 HydrophobicContact CG-CE1 4.32Å; Y1166-F1333 AromaticContact CG-CZ 3.7Å; Y1166-F1333 HydrophobicContact CG-CZ 3.7Å; Y1166-L1337 HydrophobicContact CD1-CD2 4.38Å; Y1166-L1337 HydrophobicContact CD2-CD1 4.36Å; Y1166-L1337 HydrophobicContact CE1-CD2 3.87Å; Y1166-L1337 HydrophobicContact CE2-CD1 4.06Å; Y1166-V1346 HydrophobicContact CE2-CG1 3.82Å; Y1166-I1350 HydrophobicContact CE2-CD1 4.36Å |
| 1167 | N | 60.2 | Low | 47.6 | Very low | 91 Ų | 91 | 70.2 Ų | 70.2 | 49% | 0.487 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -67.4 | -33.6 | 173.2 | -84.2 | -75.7 | 0 | 0 | 0 | 112.3 | E1163 R1164 L1171 | E1163-N1167 VanDerWaalsContact O-CB 3.29Å; E1163-N1167 WeakPolarHBondContact O-CB 2.96Å; E1163-N1167 PolarHBondContact O-N 3.37Å; E1163-N1167 PolarHBondContact O-ND2 2.95Å; R1164-N1167 PolarHBondContact O-N 3.36Å; N1167-L1171 WeakPolarHBondContact O-CB 3.29Å; N1167-L1171 PolarHBondContact O-N 2.91Å |
| 1168 | A | 50.8 | Low | 47.7 | Very low | 21 Ų | 21 | 72.2 Ų | 72.2 | 17% | 0.174 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -65.2 | -48.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | R1164 L1165 Y1166 L1170 L1171 A1172 L1307 | R1164-A1168 WeakPolarHBondContact O-CB 3.22Å; R1164-A1168 PolarHBondContact O-N 3.19Å; L1165-A1168 WeakPolarHBondContact O-CB 3.38Å; L1165-A1168 PolarHBondContact O-N 3.44Å; Y1166-A1168 VanDerWaalsContact C-N 3.33Å; A1168-L1170 PolarHBondContact O-N 3.45Å; A1168-L1171 CarbonylContact O-C 3.24Å; A1168-L1171 WeakPolarHBondContact O-CA 3.49Å; A1168-L1171 WeakPolarHBondContact O-CB 3.36Å; A1168-L1171 PolarHBondContact O-N 3.17Å; A1168-L1171 VanDerWaalsContact O-N 3.12Å; A1168-A1172 WeakPolarHBondContact O-CB 3.12Å; A1168-A1172 PolarHBondContact O-N 3.36Å; A1168-L1307 HydrophobicContact CB-CB 4.46Å; A1168-L1307 HydrophobicContact CB-CD1 4.07Å |
| 1169 | A | 50.5 | Low | 47.7 | Very low | 17 Ų | 17 | 69 Ų | 69 | 14% | 0.14 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -63.1 | -37.2 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | L1165 Y1166 A1172 V1173 L1319 | L1165-A1169 WeakPolarHBondContact O-CB 3.46Å; L1165-A1169 PolarHBondContact O-N 3.44Å; Y1166-A1169 PolarHBondContact O-N 2.68Å; A1169-A1172 CarbonylContact O-C 3.55Å; A1169-A1172 WeakPolarHBondContact O-CB 3.39Å; A1169-A1172 PolarHBondContact O-N 3.4Å; A1169-A1172 VanDerWaalsContact O-N 3.16Å; A1169-V1173 WeakPolarHBondContact O-CG2 3.49Å; A1169-V1173 PolarHBondContact O-N 3.24Å; A1169-L1319 HydrophobicContact CB-CD1 3.58Å |
| 1170 | L | 49 | Very low | 48 | Very low | 58 Ų | 58 | 65.6 Ų | 65.6 | 30% | 0.304 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.6 | -44.9 | 170.4 | -81.9 | 179.3 | 0 | 0 | 0 | 111.7 | Y1166 A1168 A1172 V1173 A1174 V1346 | Y1166-L1170 HydrophobicContact CD1-CD1 3.91Å; Y1166-L1170 HydrophobicContact CD1-CG 4.31Å; Y1166-L1170 HydrophobicContact CE1-CD1 3.44Å; Y1166-L1170 VanDerWaalsContact CE1-CD1 3.44Å; Y1166-L1170 HydrophobicContact CE1-CG 3.96Å; Y1166-L1170 HydrophobicContact CE2-CD2 4.44Å; Y1166-L1170 HydrophobicContact CE2-CG 4.24Å; Y1166-L1170 WeakPolarHBondContact O-CB 3.3Å; Y1166-L1170 WeakPolarHBondContact O-CG 3.33Å; Y1166-L1170 PolarHBondContact O-N 3.46Å; A1168-L1170 PolarHBondContact O-N 3.45Å; L1170-A1172 VanDerWaalsContact C-N 3.26Å; L1170-A1172 PolarHBondContact O-N 3.01Å; L1170-V1173 PolarHBondContact O-N 3.29Å; L1170-A1174 WeakPolarHBondContact O-CB 3.31Å; L1170-A1174 PolarHBondContact O-N 2.99Å; L1170-V1346 HydrophobicContact CD2-CB 4.47Å; L1170-V1346 HydrophobicContact CD2-CG1 3.83Å; L1170-V1346 HydrophobicContact CD2-CG2 3.91Å |
| 1171 | L | 52.8 | Low | 47.4 | Very low | 101 Ų | 101 | 68.3 Ų | 68.3 | 53% | 0.529 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.2 | -33 | 172.8 | -85.1 | 162.5 | 0 | 0 | 0 | 111.7 | N1167 A1168 N1175 | N1167-L1171 WeakPolarHBondContact O-CB 3.29Å; N1167-L1171 PolarHBondContact O-N 2.91Å; A1168-L1171 CarbonylContact O-C 3.24Å; A1168-L1171 WeakPolarHBondContact O-CA 3.49Å; A1168-L1171 WeakPolarHBondContact O-CB 3.36Å; A1168-L1171 PolarHBondContact O-N 3.17Å; A1168-L1171 VanDerWaalsContact O-N 3.12Å; L1171-N1175 VanDerWaalsContact O-CB 3.22Å; L1171-N1175 WeakPolarHBondContact O-CB 3.41Å; L1171-N1175 PolarHBondContact O-N 3.14Å; L1171-N1175 PolarHBondContact O-ND2 2.96Å; L1171-N1175 VanDerWaalsContact O-ND2 3.09Å |
| 1172 | A | 44.5 | Very low | 46.8 | Very low | 7 Ų | 7 | 68.1 Ų | 68.1 | 6% | 0.058 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -72.1 | -43.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | A1168 A1169 L1170 N1175 S1176 F1312 | A1168-A1172 WeakPolarHBondContact O-CB 3.12Å; A1168-A1172 PolarHBondContact O-N 3.36Å; A1169-A1172 CarbonylContact O-C 3.55Å; A1169-A1172 WeakPolarHBondContact O-CB 3.39Å; A1169-A1172 PolarHBondContact O-N 3.4Å; A1169-A1172 VanDerWaalsContact O-N 3.16Å; L1170-A1172 VanDerWaalsContact C-N 3.26Å; L1170-A1172 PolarHBondContact O-N 3.01Å; A1172-N1175 CarbonylContact O-C 3.12Å; A1172-N1175 PolarHBondContact O-N 3.27Å; A1172-S1176 WeakPolarHBondContact O-CB 3.48Å; A1172-S1176 PolarHBondContact O-N 2.72Å; A1172-S1176 PolarHBondContact O-OG 3.44Å; A1172-S1176 VanDerWaalsContact O-OG 3.09Å; A1172-F1312 HydrophobicContact CB-CD2 3.71Å; A1172-F1312 HydrophobicContact CB-CE2 4.18Å |
| 1173 | V | 43.5 | Very low | 46 | Very low | 58 Ų | 58 | 70.6 Ų | 70.6 | 35% | 0.352 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.6 | -41.8 | 171.3 | 173.1 | 0 | 0 | 0 | 0 | 110.8 | A1169 L1170 N1175 S1176 T1177 F1312 | A1169-V1173 WeakPolarHBondContact O-CG2 3.49Å; A1169-V1173 PolarHBondContact O-N 3.24Å; L1170-V1173 PolarHBondContact O-N 3.29Å; V1173-N1175 VanDerWaalsContact C-N 3.28Å; V1173-N1175 PolarHBondContact O-N 3.32Å; V1173-S1176 PolarHBondContact O-N 2.96Å; V1173-T1177 HydrophobicContact CG1-CG2 4.44Å; V1173-T1177 WeakPolarHBondContact O-CB 3.38Å; V1173-T1177 WeakPolarHBondContact O-CG2 3.43Å; V1173-T1177 PolarHBondContact O-N 2.64Å; V1173-T1177 PolarHBondContact O-OG1 2.97Å; V1173-F1312 HydrophobicContact CB-CE2 4.46Å; V1173-F1312 HydrophobicContact CG2-CE2 3.73Å; V1173-F1312 HydrophobicContact CG2-CZ 4.09Å |
| 1174 | A | 44 | Very low | 44.7 | Very low | 51 Ų | 51 | 76.6 Ų | 76.6 | 42% | 0.421 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -66 | -29 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L1170 T1177 R1178 | L1170-A1174 WeakPolarHBondContact O-CB 3.31Å; L1170-A1174 PolarHBondContact O-N 2.99Å; A1174-T1177 WeakPolarHBondContact CA-OG1 3.44Å; A1174-T1177 PolarHBondContact O-OG1 3.05Å; A1174-R1178 VanDerWaalsContact O-CB 3.23Å; A1174-R1178 WeakPolarHBondContact O-CB 3.36Å; A1174-R1178 PolarHBondContact O-N 2.92Å |
| 1175 | N | 41.6 | Very low | 43.6 | Very low | 87 Ų | 87 | 74.1 Ų | 74.1 | 47% | 0.465 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -82 | -35.6 | 173.1 | -74.9 | -30 | 0 | 0 | 0 | 112 | L1171 A1172 V1173 R1178 S1179 | L1171-N1175 VanDerWaalsContact O-CB 3.22Å; L1171-N1175 WeakPolarHBondContact O-CB 3.41Å; L1171-N1175 PolarHBondContact O-N 3.14Å; L1171-N1175 PolarHBondContact O-ND2 2.96Å; L1171-N1175 VanDerWaalsContact O-ND2 3.09Å; A1172-N1175 CarbonylContact O-C 3.12Å; A1172-N1175 PolarHBondContact O-N 3.27Å; V1173-N1175 VanDerWaalsContact C-N 3.28Å; V1173-N1175 PolarHBondContact O-N 3.32Å; N1175-R1178 CarbonylContact O-C 3.58Å; N1175-R1178 WeakPolarHBondContact O-CB 3.15Å; N1175-R1178 PolarHBondContact O-N 2.77Å; N1175-S1179 WeakPolarHBondContact O-CB 3.4Å; N1175-S1179 PolarHBondContact O-N 2.74Å; N1175-S1179 PolarHBondContact O-OG 2.84Å |
| 1176 | S | 42 | Very low | 42.5 | Very low | 37 Ų | 37 | 80 Ų | 80 | 26% | 0.259 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -72.9 | -35.9 | 177.3 | -68.7 | 0 | 0 | 0 | 0 | 112.8 | A1172 V1173 R1178 S1179 G1180 F1312 | A1172-S1176 WeakPolarHBondContact O-CB 3.48Å; A1172-S1176 PolarHBondContact O-N 2.72Å; A1172-S1176 PolarHBondContact O-OG 3.44Å; A1172-S1176 VanDerWaalsContact O-OG 3.09Å; V1173-S1176 PolarHBondContact O-N 2.96Å; S1176-R1178 VanDerWaalsContact C-N 3.25Å; S1176-R1178 PolarHBondContact O-N 3.07Å; S1176-S1179 WeakPolarHBondContact CA-OG 3.46Å; S1176-S1179 PolarHBondContact O-OG 2.96Å; S1176-G1180 WeakPolarHBondContact O-CA 3.4Å; S1176-G1180 PolarHBondContact O-N 3.03Å; S1176-F1312 WeakPolarHBondContact OG-CB 3.5Å; S1176-F1312 WeakPolarHBondContact OG-CD2 3.43Å; S1176-F1312 WeakPolarHBondContact OG-CG 3.36Å |
| 1177 | T | 41.8 | Very low | 40.6 | Very low | 90 Ų | 90 | 84.8 Ų | 84.8 | 55% | 0.552 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -66.7 | -31 | 168.2 | 47.2 | 0 | 0 | 0 | 0 | 111.4 | V1173 A1174 L1181 | V1173-T1177 HydrophobicContact CG1-CG2 4.44Å; V1173-T1177 WeakPolarHBondContact O-CB 3.38Å; V1173-T1177 WeakPolarHBondContact O-CG2 3.43Å; V1173-T1177 PolarHBondContact O-N 2.64Å; V1173-T1177 PolarHBondContact O-OG1 2.97Å; A1174-T1177 WeakPolarHBondContact CA-OG1 3.44Å; A1174-T1177 PolarHBondContact O-OG1 3.05Å; T1177-L1181 PolarHBondContact O-N 3.36Å |
| 1178 | R | 37.4 | Very low | 38.9 | Very low | 184 Ų | 184 | 86.7 Ų | 86.7 | 69% | 0.694 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -79.9 | -32.8 | 176.2 | -173.3 | 176.5 | -178.1 | -173.6 | -1 | 113.6 | A1174 N1175 S1176 L1181 T1182 | A1174-R1178 VanDerWaalsContact O-CB 3.23Å; A1174-R1178 WeakPolarHBondContact O-CB 3.36Å; A1174-R1178 PolarHBondContact O-N 2.92Å; N1175-R1178 CarbonylContact O-C 3.58Å; N1175-R1178 WeakPolarHBondContact O-CB 3.15Å; N1175-R1178 PolarHBondContact O-N 2.77Å; S1176-R1178 VanDerWaalsContact C-N 3.25Å; S1176-R1178 PolarHBondContact O-N 3.07Å; R1178-L1181 WeakPolarHBondContact O-CB 3.27Å; R1178-T1182 PolarHBondContact O-N 2.67Å |
| 1179 | S | 39.5 | Very low | 37.7 | Very low | 50 Ų | 50 | 90.7 Ų | 90.7 | 35% | 0.35 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -85.6 | -31.9 | 177.7 | 66.2 | 0 | 0 | 0 | 0 | 112.2 | N1175 S1176 L1181 T1182 N1183 | N1175-S1179 WeakPolarHBondContact O-CB 3.4Å; N1175-S1179 PolarHBondContact O-N 2.74Å; N1175-S1179 PolarHBondContact O-OG 2.84Å; S1176-S1179 WeakPolarHBondContact CA-OG 3.46Å; S1176-S1179 PolarHBondContact O-OG 2.96Å; S1179-L1181 PolarHBondContact O-N 3.29Å; S1179-T1182 VanDerWaalsContact CA-OG1 3.3Å; S1179-T1182 WeakPolarHBondContact CA-OG1 3.25Å; S1179-T1182 PolarHBondContact O-N 2.96Å; S1179-T1182 PolarHBondContact O-OG1 3.22Å; S1179-N1183 PolarHBondContact O-N 3.49Å; S1179-N1183 PolarHBondContact O-OD1 3.37Å; S1179-N1183 VanDerWaalsContact O-OD1 3.07Å |
| 1180 | G | 38.3 | Very low | 36.5 | Very low | 32 Ų | 32 | 94.9 Ų | 94.9 | 33% | 0.33 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -53.2 | -41.4 | 161.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | S1176 T1182 N1183 Y1184 | S1176-G1180 WeakPolarHBondContact O-CA 3.4Å; S1176-G1180 PolarHBondContact O-N 3.03Å; G1180-T1182 VanDerWaalsContact C-N 3.34Å; G1180-T1182 PolarHBondContact O-N 3.13Å; G1180-N1183 PolarHBondContact O-N 2.97Å; G1180-Y1184 WeakPolarHBondContact O-CB 3.18Å; G1180-Y1184 PolarHBondContact O-N 3.49Å |
| 1181 | L | 32.1 | Very low | 35.4 | Very low | 125 Ų | 125 | 98.5 Ų | 98.5 | 65% | 0.654 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -68.7 | -20.9 | 172.7 | -120.7 | 78.7 | 0 | 0 | 0 | 115.2 | T1177 R1178 S1179 L1185 | T1177-L1181 PolarHBondContact O-N 3.36Å; R1178-L1181 WeakPolarHBondContact O-CB 3.27Å; S1179-L1181 PolarHBondContact O-N 3.29Å; L1181-L1185 WeakPolarHBondContact O-CD1 3.35Å |
| 1182 | T | 35.7 | Very low | 33.9 | Very low | 75 Ų | 75 | 100 Ų | 100 | 46% | 0.46 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -89.3 | -31.1 | 173.6 | 55.3 | 0 | 0 | 0 | 0 | 112.8 | R1178 S1179 G1180 L1185 N1186 | R1178-T1182 PolarHBondContact O-N 2.67Å; S1179-T1182 VanDerWaalsContact CA-OG1 3.3Å; S1179-T1182 WeakPolarHBondContact CA-OG1 3.25Å; S1179-T1182 PolarHBondContact O-N 2.96Å; S1179-T1182 PolarHBondContact O-OG1 3.22Å; G1180-T1182 VanDerWaalsContact C-N 3.34Å; G1180-T1182 PolarHBondContact O-N 3.13Å; T1182-L1185 PolarHBondContact O-N 3.44Å; T1182-N1186 PolarHBondContact O-N 2.96Å |
| 1183 | N | 34.7 | Very low | 33 | Very low | 87 Ų | 87 | 106.4 Ų | 106.4 | 47% | 0.465 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -75.6 | -43.6 | 179.5 | -66.2 | 22 | 0 | 0 | 0 | 110.2 | S1179 G1180 L1185 N1186 D1187 | S1179-N1183 PolarHBondContact O-N 3.49Å; S1179-N1183 PolarHBondContact O-OD1 3.37Å; S1179-N1183 VanDerWaalsContact O-OD1 3.07Å; G1180-N1183 PolarHBondContact O-N 2.97Å; N1183-L1185 PolarHBondContact O-N 3.21Å; N1183-N1186 PolarHBondContact O-N 2.9Å; N1183-D1187 PolarHBondContact O-N 2.93Å |
| 1184 | Y | 27.2 | Very low | 32.1 | Very low | 211 Ų | 211 | 110.6 Ų | 110.6 | 83% | 0.827 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.8 | -4.3 | 171 | -102.9 | -79 | 0 | 0 | 0 | 115.6 | G1180 | G1180-Y1184 WeakPolarHBondContact O-CB 3.18Å; G1180-Y1184 PolarHBondContact O-N 3.49Å |
| 1185 | L | 30.2 | Very low | 31.3 | Very low | 142 Ų | 142 | 115.6 Ų | 115.6 | 74% | 0.743 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.2 | -0 | 173.8 | -70.1 | 177.8 | 0 | 0 | 0 | 114 | L1181 T1182 N1183 | L1181-L1185 WeakPolarHBondContact O-CD1 3.35Å; T1182-L1185 PolarHBondContact O-N 3.44Å; N1183-L1185 PolarHBondContact O-N 3.21Å |
| 1186 | N | 33.4 | Very low | 30.5 | Very low | 130 Ų | 130 | 118.2 Ų | 118.2 | 70% | 0.695 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.6 | -19.5 | 176.7 | -79.9 | -9.1 | 0 | 0 | 0 | 113.8 | T1182 N1183 T1188 | T1182-N1186 PolarHBondContact O-N 2.96Å; N1183-N1186 PolarHBondContact O-N 2.9Å; N1186-T1188 PolarHBondContact O-N 3.17Å |
| 1187 | D | 23 | Very low | 29.7 | Very low | 126 Ų | 126 | 121.3 Ų | 121.3 | 67% | 0.674 | 68% | 0.675 | S | S | * | * | trans | -77.3 | 51.2 | -176.4 | -67.6 | -33.9 | 0 | 0 | 0 | 113.9 | N1183 | N1183-D1187 PolarHBondContact O-N 2.93Š| ||
| 1188 | T | 24.8 | Very low | 29.1 | Very low | 131 Ų | 131 | 126.9 Ų | 126.9 | 80% | 0.804 | 69% | 0.694 | S | S | * | * | trans | -141.8 | 52.4 | 170.6 | 64.5 | 0 | 0 | 0 | 0 | 114.7 | N1186 | N1186-T1188 PolarHBondContact O-N 3.17Š| ||
| 1189 | S | 25.7 | Very low | 28.7 | Very low | 105 Ų | 105 | 122.4 Ų | 122.4 | 73% | 0.734 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -171 | 134 | 146 | 57.2 | 0 | 0 | 0 | 0 | 115.1 | ||
| 1190 | S | 25.9 | Very low | 28 | Very low | 106 Ų | 106 | 128 Ų | 128 | 74% | 0.741 | 71% | 0.714 | S | S | * | * | trans | 53.6 | 101.5 | 149 | 61 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1191 | T | 25.5 | Very low | 27.3 | Very low | 133 Ų | 133 | 132.8 Ų | 132.8 | 82% | 0.816 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -25.2 | 148.3 | 132.3 | 46.7 | 0 | 0 | 0 | 0 | 116.1 | I1193 | T1191-I1193 PolarHBondContact O-N 3.26Š|
| 1192 | C | 22.5 | Very low | 26.9 | Very low | 133 Ų | 133 | 132.4 Ų | 132.4 | 90% | 0.899 | 74% | 0.737 | S | S | * | * | trans | -30.8 | 112.9 | 174.8 | -50.6 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1193 | I | 24.6 | Very low | 26.4 | Very low | 141 Ų | 141 | 134.6 Ų | 134.6 | 72% | 0.723 | 75% | 0.75 | S | S | * | * | trans | -137.5 | 113.9 | 149.1 | -64.9 | -174.6 | 0 | 0 | 0 | 107.8 | T1191 | T1191-I1193 PolarHBondContact O-N 3.26Š| ||
| 1194 | N | 25.6 | Very low | 25.9 | Very low | 146 Ų | 146 | 136.6 Ų | 136.6 | 78% | 0.781 | 77% | 0.765 | S | S | * | * | trans | -85.5 | 168.9 | 154.6 | -76.1 | -27.6 | 0 | 0 | 0 | 108.6 | ||||
| 1195 | D | 25.3 | Very low | 25.6 | Very low | 156 Ų | 156 | 137.4 Ų | 137.4 | 83% | 0.834 | 77% | 0.767 | S | S | * | * | trans | 74.5 | 69.7 | 173.3 | -51.6 | -31.2 | 0 | 0 | 0 | 117.1 | ||||
| 1196 | I | 24.8 | Very low | 25.3 | Very low | 143 Ų | 143 | 137.7 Ų | 137.7 | 73% | 0.733 | 77% | 0.774 | S | S | * | * | trans | -126.4 | 121.2 | 146.6 | -58.8 | -179 | 0 | 0 | 0 | 108.6 | ||||
| 1197 | P | 25.9 | Very low | 24.9 | Very low | 101 Ų | 101 | 142.7 Ų | 142.7 | 66% | 0.656 | 78% | 0.783 | S | S | * | * | trans | -74.7 | 157.6 | -178.6 | 29.8 | -34.9 | 0 | 0 | 0 | 113.2 | S1199 | P1197-S1199 PolarHBondContact O-N 3.01Š| ||
| 1198 | Q | 29.8 | Very low | 24.9 | Very low | 207 Ų | 207 | 145.2 Ų | 145.2 | 97% | 0.967 | 80% | 0.795 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | 40.4 | -170.6 | -63.2 | -173.1 | -16.2 | 0 | 0 | 115.7 | ||
| 1199 | S | 27.7 | Very low | 24.9 | Very low | 91 Ų | 91 | 142.4 Ų | 142.4 | 64% | 0.636 | 79% | 0.793 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.2 | -14.5 | 177.5 | 54.1 | 0 | 0 | 0 | 0 | 114.5 | P1197 L1201 | P1197-S1199 PolarHBondContact O-N 3.01Å; S1199-L1201 PolarHBondContact O-N 3.06Å |
| 1200 | M | 25.1 | Very low | 24.9 | Very low | 167 Ų | 167 | 148.5 Ų | 148.5 | 82% | 0.823 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -94.6 | 91.4 | 176.8 | -74.9 | -66.1 | 162.4 | 0 | 0 | 112.2 | ||
| 1201 | L | 25 | Very low | 24.9 | Very low | 132 Ų | 132 | 149.9 Ų | 149.9 | 69% | 0.691 | 80% | 0.804 | S | S | * | * | trans | -67.7 | 148.8 | 172.7 | -68.8 | 165.4 | 0 | 0 | 0 | 111 | S1199 T1203 | S1199-L1201 PolarHBondContact O-N 3.06Å; L1201-T1203 WeakPolarHBondContact CD2-OG1 3.42Å | ||
| 1202 | P | 23.3 | Very low | 24.9 | Very low | 118 Ų | 118 | 147 Ų | 147 | 77% | 0.766 | 80% | 0.801 | S | S | * | * | -132.6 | 82.8 | 82.1 | 37.7 | -27 | 0 | 0 | 0 | 114.4 | V1204 | P1202-V1204 PolarHBondContact O-N 2.65Š| |||
| 1203 | T | 25.1 | Very low | 25.3 | Very low | 121 Ų | 121 | 147.3 Ų | 147.3 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | trans | -76.4 | 58.9 | 171.6 | -43.9 | 0 | 0 | 0 | 0 | 112.3 | L1201 R1205 | L1201-T1203 WeakPolarHBondContact CD2-OG1 3.42Å; T1203-R1205 PolarHBondContact O-N 3.27Å | ||
| 1204 | V | 23.8 | Very low | 25.6 | Very low | 129 Ų | 129 | 143.7 Ų | 143.7 | 78% | 0.782 | 77% | 0.767 | S | S | * | * | trans | -102.5 | 83.8 | -174.6 | -172.4 | 0 | 0 | 0 | 0 | 112.3 | P1202 | P1202-V1204 PolarHBondContact O-N 2.65Š| ||
| 1205 | R | 21.2 | Very low | 25.9 | Very low | 227 Ų | 227 | 139.6 Ų | 139.6 | 86% | 0.857 | 76% | 0.759 | S | S | * | * | trans | 9.4 | 112.5 | 155.8 | -58 | 179.2 | -176.5 | -177.2 | 0.9 | 117.5 | T1203 R1207 | T1203-R1205 PolarHBondContact O-N 3.27Å; R1205-R1207 PolarHBondContact O-N 3.46Å; R1205-R1207 VanDerWaalsContact O-N 3.17Å | ||
| 1206 | V | 24.1 | Very low | 26.1 | Very low | 148 Ų | 148 | 139.9 Ų | 139.9 | 90% | 0.897 | 75% | 0.749 | S | S | * | * | trans | -58.6 | 118 | 155.5 | 178 | 0 | 0 | 0 | 0 | 109 | L1208 | V1206-L1208 PolarHBondContact O-N 2.93Š| ||
| 1207 | R | 23.8 | Very low | 26.4 | Very low | 236 Ų | 236 | 144.3 Ų | 144.3 | 89% | 0.891 | 76% | 0.756 | S | S | * | * | trans | -67.4 | 117.5 | -178.5 | -91.4 | 178.2 | 163.4 | 150 | -5.6 | 111.7 | R1205 G1209 | R1205-R1207 PolarHBondContact O-N 3.46Å; R1205-R1207 VanDerWaalsContact O-N 3.17Å; R1207-G1209 PolarHBondContact O-N 3.25Å | ||
| 1208 | L | 22.5 | Very low | 27.4 | Very low | 178 Ų | 178 | 145.1 Ų | 145.1 | 93% | 0.932 | 76% | 0.761 | S | S | * | * | trans | -70.3 | 79.5 | 159 | -82.6 | 166.7 | 0 | 0 | 0 | 110.3 | V1206 R1210 | V1206-L1208 PolarHBondContact O-N 2.93Å; L1208-R1210 PolarHBondContact O-N 3.44Å | ||
| 1209 | G | 24.8 | Very low | 27.5 | Very low | 72 Ų | 72 | 146 Ų | 146 | 74% | 0.742 | 76% | 0.756 | S | S | * | * | trans | -69.6 | 111.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | R1207 | R1207-G1209 PolarHBondContact O-N 3.25Š| ||
| 1210 | R | 25.9 | Very low | 27.5 | Very low | 234 Ų | 234 | 153 Ų | 153 | 88% | 0.883 | 77% | 0.768 | S | S | * | * | trans | -78.3 | 131.2 | 177.4 | -84.7 | -174.9 | 173.3 | -179.4 | -1.5 | 112.7 | L1208 | L1208-R1210 PolarHBondContact O-N 3.44Š| ||
| 1211 | T | 27 | Very low | 27.4 | Very low | 135 Ų | 135 | 148.2 Ų | 148.2 | 83% | 0.828 | 76% | 0.762 | S | S | * | * | trans | 26.2 | 124.5 | 141.1 | 59 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1212 | G | 25.4 | Very low | 27.5 | Very low | 73 Ų | 73 | 149.5 Ų | 149.5 | 75% | 0.753 | 77% | 0.769 | S | S | * | * | trans | 159.5 | 111.8 | 149.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1213 | R | 29.9 | Very low | 27.4 | Very low | 139 Ų | 139 | 151.9 Ų | 151.9 | 53% | 0.525 | 77% | 0.772 | S | S | . | * | trans | -152.8 | 132.7 | 154.7 | -73.8 | -161.5 | 175.1 | -169.9 | -4.2 | 109.5 | S702 P703 | S702-R1213 PolarHBondContact OG-NH1 3.37Å; P703-R1213 VanDerWaalsContact C-NH1 3.29Å; P703-R1213 PolarHBondContact O-NH1 3.3Å; P703-R1213 PolarHBondContact O-NH2 3.12Å | ||
| 1214 | V | 31.7 | Very low | 27.6 | Very low | 65 Ų | 65 | 153.8 Ų | 153.8 | 39% | 0.394 | 78% | 0.777 | S | S | . | * | B | Isolated β-bridge | trans | -135 | 140 | -168.3 | -154.4 | 0 | 0 | 0 | 0 | 113.4 | V698 I699 S701 R1216 | V698-V1214 HydrophobicContact CG1-CB 4.1Å; V698-V1214 HydrophobicContact CG1-CG1 3.82Å; I699-V1214 CarbonylContact C-O 3.58Å; I699-V1214 HydrophobicContact CB-CG2 4.07Å; I699-V1214 WeakPolarHBondContact O-CA 3.08Å; I699-V1214 VanDerWaalsContact O-CB 3.24Å; I699-V1214 WeakPolarHBondContact O-CB 3.35Å; I699-V1214 WeakPolarHBondContact O-CG2 3.34Å; I699-V1214 PolarHBondContact O-N 2.99Å; S701-V1214 PolarHBondContact N-O 3.07Å; S701-V1214 PolarHBondContact OG-O 2.92Å; S701-V1214 VanDerWaalsContact OG-O 3.14Å; V1214-R1216 PolarHBondContact O-N 3.09Å |
| 1215 | G | 31.1 | Very low | 27.5 | Very low | 59 Ų | 59 | 153.1 Ų | 153.1 | 61% | 0.608 | 77% | 0.769 | S | S | * | * | trans | -81.8 | 103.2 | -170.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | V698 R1217 | V698-G1215 VanDerWaalsContact CG1-C 3.43Å; V698-G1215 WeakPolarHBondContact CG1-O 3.45Å; G1215-R1217 PolarHBondContact O-N 3.36Å | ||
| 1216 | R | 29.4 | Very low | 27.6 | Very low | 163 Ų | 163 | 148.6 Ų | 148.6 | 62% | 0.615 | 76% | 0.759 | S | S | * | * | trans | -34.7 | 116.6 | 163.2 | 55 | 151.7 | 126.7 | 143.6 | -4.7 | 118.2 | V698 V1214 | V698-R1216 HydrophobicContact CB-CB 4.16Å; V698-R1216 HydrophobicContact CB-CG 4.41Å; V698-R1216 HydrophobicContact CG1-CB 3.63Å; V698-R1216 HydrophobicContact CG1-CG 3.9Å; V698-R1216 PolarHBondContact O-NE 2.87Å; V698-R1216 PolarHBondContact O-NH2 2.83Å; V1214-R1216 PolarHBondContact O-N 3.09Å | ||
| 1217 | R | 32.4 | Very low | 27.6 | Very low | 236 Ų | 236 | 151.5 Ų | 151.5 | 89% | 0.891 | 75% | 0.754 | S | S | * | * | -168.8 | 150.3 | 119.8 | -105.6 | 169.5 | -175.4 | -166.8 | 0.6 | 114.3 | G1215 | G1215-R1217 PolarHBondContact O-N 3.36Š| |||
| 1218 | P | 46.3 | Very low | 27.5 | Very low | 117 Ų | 117 | 144.8 Ų | 144.8 | 76% | 0.76 | 74% | 0.744 | S | S | * | * | trans | -127.1 | 168.1 | -171.7 | 42.9 | -30.5 | 0 | 0 | 0 | 116.5 | ||||
| 1219 | R | 32.1 | Very low | 27.5 | Very low | 227 Ų | 227 | 143.1 Ų | 143.1 | 86% | 0.857 | 74% | 0.736 | S | S | * | * | trans | -173.7 | 137.6 | 142.9 | -114.1 | 179 | 179.2 | -179.1 | -0.1 | 115.8 | ||||
| 1220 | R | 27.4 | Very low | 27.4 | Very low | 236 Ų | 236 | 145.7 Ų | 145.7 | 89% | 0.891 | 74% | 0.736 | S | S | * | * | trans | 56 | 129.2 | 152.7 | -73.2 | -175.2 | 171 | -178.1 | -4.3 | 121.3 | ||||
| 1221 | G | 23.4 | Very low | 27.2 | Very low | 67 Ų | 67 | 140.4 Ų | 140.4 | 69% | 0.691 | 73% | 0.725 | S | S | * | * | trans | 148.6 | 89.8 | 136.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1222 | N | 27.8 | Very low | 27 | Very low | 160 Ų | 160 | 140.6 Ų | 140.6 | 86% | 0.856 | 72% | 0.716 | S | S | * | * | trans | 59.7 | 138.7 | 163.8 | -55 | 0.6 | 0 | 0 | 0 | 116.9 | ||||
| 1223 | M | 21.3 | Very low | 27.1 | Very low | 168 Ų | 168 | 145.6 Ų | 145.6 | 83% | 0.828 | 72% | 0.717 | S | S | * | * | cis | 69.6 | 79.8 | 22 | -60.4 | -81.2 | 94.9 | 0 | 0 | 115.9 | ||||
| 1224 | L | 28 | Very low | 26.8 | Very low | 160 Ų | 160 | 141.6 Ų | 141.6 | 84% | 0.838 | 72% | 0.72 | S | S | * | * | -163.1 | 122.2 | 112.5 | -86.7 | 170.5 | 0 | 0 | 0 | 104.8 | |||||
| 1225 | N | 22.2 | Very low | 26.6 | Very low | 116 Ų | 116 | 144.5 Ų | 144.5 | 62% | 0.62 | 73% | 0.733 | S | S | * | * | 62.5 | 98.5 | 56.3 | -169.9 | 24.3 | 0 | 0 | 0 | 113.2 | |||||
| 1226 | M | 23.3 | Very low | 26.2 | Very low | 132 Ų | 132 | 149.6 Ų | 149.6 | 65% | 0.65 | 74% | 0.741 | S | S | * | * | -174.5 | 138.5 | 117.7 | -97.9 | -61.6 | 173.2 | 0 | 0 | 113.3 | |||||
| 1227 | R | 23.2 | Very low | 26 | Very low | 208 Ų | 208 | 150.9 Ų | 150.9 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | trans | 49.7 | 111.8 | 142.3 | -80.3 | 169.9 | 176.6 | 164.8 | -2.1 | 122.4 | ||||
| 1228 | S | 23.3 | Very low | 25.5 | Very low | 96 Ų | 96 | 144.9 Ų | 144.9 | 67% | 0.671 | 75% | 0.746 | S | S | * | * | 107 | 123.6 | 117.6 | -65.7 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 1229 | N | 21.2 | Very low | 24.5 | Very low | 143 Ų | 143 | 148.4 Ų | 148.4 | 77% | 0.765 | 75% | 0.75 | S | S | * | * | cis | 80.9 | 144.2 | 43.5 | -79.2 | 5.1 | 0 | 0 | 0 | 113.6 | ||||
| 1230 | V | 22.6 | Very low | 24.1 | Very low | 125 Ų | 125 | 145.1 Ų | 145.1 | 76% | 0.758 | 74% | 0.744 | S | S | * | * | trans | 68.9 | 125.3 | 148.6 | 159.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1231 | L | 22.5 | Very low | 23.9 | Very low | 123 Ų | 123 | 139 Ų | 139 | 64% | 0.644 | 73% | 0.733 | S | S | * | * | cis | -175.4 | 172.5 | -5.6 | -151.5 | 62.1 | 0 | 0 | 0 | 106.8 | ||||
| 1232 | E | 21.8 | Very low | 23.9 | Very low | 139 Ų | 139 | 143 Ų | 143 | 65% | 0.65 | 74% | 0.737 | S | S | * | * | trans | 64 | 168 | 151.8 | -81.8 | 164.3 | -163 | 0 | 0 | 117.6 | ||||
| 1233 | K | 27.7 | Very low | 24.3 | Very low | 178 Ų | 178 | 141.2 Ų | 141.2 | 77% | 0.774 | 73% | 0.734 | S | S | * | * | cis | -148 | 176.6 | 7.7 | -137.6 | 146.2 | -171.7 | 145.9 | 0 | 110 | ||||
| 1234 | G | 24.2 | Very low | 24.4 | Very low | 56 Ų | 56 | 141.4 Ų | 141.4 | 58% | 0.577 | 73% | 0.733 | S | S | * | * | trans | 110.4 | 72.2 | 158.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1235 | D | 28.4 | Very low | 24.3 | Very low | 125 Ų | 125 | 140.6 Ų | 140.6 | 67% | 0.668 | 74% | 0.735 | S | S | * | * | 50.8 | 110.5 | 123.2 | -51.6 | -44.5 | 0 | 0 | 0 | 119.2 | |||||
| 1236 | Q | 21.7 | Very low | 24.4 | Very low | 167 Ų | 167 | 139.9 Ų | 139.9 | 78% | 0.78 | 74% | 0.739 | S | S | * | * | 63.3 | 104.2 | 77.7 | -65.1 | 179.6 | 88.1 | 0 | 0 | 113.6 | |||||
| 1237 | M | 26 | Very low | 24.4 | Very low | 190 Ų | 190 | 141.1 Ų | 141.1 | 94% | 0.936 | 75% | 0.748 | S | S | * | * | -165.2 | 152.6 | 99.1 | -95.4 | -168.2 | -174.5 | 0 | 0 | 112.1 | |||||
| 1238 | T | 21.4 | Very low | 24.7 | Very low | 110 Ų | 110 | 136 Ų | 136 | 68% | 0.675 | 75% | 0.751 | S | S | * | * | trans | -95.7 | 156.7 | 173 | 49 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1239 | F | 24.9 | Very low | 24.9 | Very low | 190 Ų | 190 | 138.9 Ų | 138.9 | 83% | 0.833 | 76% | 0.758 | S | S | * | * | -177.5 | 126.8 | 124.6 | -96.7 | -63.4 | 0 | 0 | 0 | 115.4 | |||||
| 1240 | H | 23.8 | Very low | 25.3 | Very low | 159 Ų | 159 | 139.6 Ų | 139.6 | 74% | 0.736 | 76% | 0.762 | S | S | * | * | trans | -10.8 | 135.1 | 157.7 | -75.1 | -70 | 0 | 0 | 0 | 125.6 | ||||
| 1241 | T | 23.6 | Very low | 25.6 | Very low | 106 Ų | 106 | 138.6 Ų | 138.6 | 65% | 0.65 | 76% | 0.761 | S | S | * | * | 74.2 | 104 | 117.9 | -48.1 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 1242 | I | 22.5 | Very low | 25.9 | Very low | 152 Ų | 152 | 140.2 Ų | 140.2 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | 35.2 | 125.3 | 115.2 | -57.6 | 168.9 | 0 | 0 | 0 | 117.6 | |||||
| 1243 | P | 37.5 | Very low | 26.1 | Very low | 123 Ų | 123 | 139.9 Ų | 139.9 | 80% | 0.799 | 77% | 0.769 | S | S | * | * | -155.3 | -178.8 | 81.9 | 42.9 | -22 | 0 | 0 | 0 | 120.4 | |||||
| 1244 | Q | 22 | Very low | 25.9 | Very low | 171 Ų | 171 | 138.1 Ų | 138.1 | 80% | 0.799 | 77% | 0.768 | S | S | * | * | trans | -48.3 | 155.2 | -178.5 | -54.4 | 163.4 | -9.8 | 0 | 0 | 118.8 | ||||
| 1245 | T | 25.6 | Very low | 25.9 | Very low | 144 Ų | 144 | 142.7 Ų | 142.7 | 88% | 0.883 | 78% | 0.779 | S | S | * | * | 175.6 | -159.3 | 110.8 | 35.9 | 0 | 0 | 0 | 0 | 112 | |||||
| 1246 | S | 25.3 | Very low | 25.8 | Very low | 100 Ų | 100 | 141.4 Ų | 141.4 | 70% | 0.699 | 78% | 0.775 | S | S | * | * | trans | -111.1 | 166.5 | -151.9 | 56.6 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1247 | N | 24.2 | Very low | 26.2 | Very low | 159 Ų | 159 | 138.6 Ų | 138.6 | 85% | 0.85 | 77% | 0.77 | S | S | * | * | trans | 60.2 | 114.1 | 158.2 | -69.2 | -8.3 | 0 | 0 | 0 | 120.2 | ||||
| 1248 | A | 29.6 | Very low | 26 | Very low | 101 Ų | 101 | 134.8 Ų | 134.8 | 84% | 0.835 | 75% | 0.75 | S | S | * | * | trans | -168.4 | 152.6 | 131.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 1249 | N | 27.6 | Very low | 26.9 | Very low | 156 Ų | 156 | 132.7 Ų | 132.7 | 83% | 0.834 | 74% | 0.738 | S | S | * | * | trans | -111 | 146.1 | 156.3 | -67.7 | -69.6 | 0 | 0 | 0 | 107.6 | ||||
| 1250 | N | 28.8 | Very low | 27.7 | Very low | 158 Ų | 158 | 127.7 Ų | 127.7 | 85% | 0.845 | 73% | 0.725 | S | S | * | * | trans | -173.9 | 140.3 | 147 | -103.9 | -22.4 | 0 | 0 | 0 | 115.3 | ||||
| 1251 | S | 27.7 | Very low | 27.8 | Very low | 104 Ų | 104 | 123.9 Ų | 123.9 | 73% | 0.727 | 71% | 0.713 | S | S | * | * | trans | 65.6 | 170.3 | 147.3 | 69.1 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1252 | M | 29.5 | Very low | 27.8 | Very low | 156 Ų | 156 | 124.7 Ų | 124.7 | 77% | 0.768 | 71% | 0.713 | S | S | * | * | trans | 67 | 118.2 | 171.6 | -50.8 | -129.3 | 67.9 | 0 | 0 | 115.9 | ||||
| 1253 | L | 26.8 | Very low | 27.9 | Very low | 133 Ų | 133 | 125.9 Ų | 125.9 | 70% | 0.696 | 72% | 0.72 | S | S | * | * | cis | 88 | 99.1 | 12.1 | -149.5 | 80.2 | 0 | 0 | 0 | 116.5 | ||||
| 1254 | D | 23.2 | Very low | 27.2 | Very low | 140 Ų | 140 | 124.3 Ų | 124.3 | 75% | 0.749 | 71% | 0.712 | S | S | * | * | trans | 59.2 | 132 | 141.4 | -49.4 | -13.5 | 0 | 0 | 0 | 124.4 | ||||
| 1255 | D | 23.5 | Very low | 27.3 | Very low | 153 Ų | 153 | 124.3 Ų | 124.3 | 82% | 0.818 | 71% | 0.714 | S | S | * | * | trans | 106.5 | 154.4 | 130 | -141.6 | 6.9 | 0 | 0 | 0 | 122.9 | ||||
| 1256 | V | 27.7 | Very low | 27.5 | Very low | 97 Ų | 97 | 126.8 Ų | 126.8 | 59% | 0.588 | 72% | 0.715 | S | S | * | * | trans | 74.8 | 98.3 | 158.7 | -167.8 | 0 | 0 | 0 | 0 | 123 | ||||
| 1257 | T | 28.2 | Very low | 27.4 | Very low | 108 Ų | 108 | 127.2 Ų | 127.2 | 66% | 0.663 | 72% | 0.718 | S | S | * | * | 63.2 | 147.8 | 119.6 | -43.4 | 0 | 0 | 0 | 0 | 125.5 | I674 | I674-T1257 WeakPolarHBondContact CD1-O 3.39Å; I674-T1257 WeakPolarHBondContact CG1-O 3.43Å | |||
| 1258 | E | 23.8 | Very low | 27.7 | Very low | 110 Ų | 110 | 126.5 Ų | 126.5 | 51% | 0.514 | 72% | 0.72 | S | S | . | * | trans | -52.9 | 173.8 | -166.1 | -62.4 | 166.4 | 158.3 | 0 | 0 | 119.7 | T675 N676 | T675-E1258 HydrophobicContact CG2-CG 3.89Å; T675-E1258 WeakPolarHBondContact OG1-CA 3.4Å; N676-E1258 PolarHBondContact ND2-OE1 2.81Å | ||
| 1259 | P | 39 | Very low | 27.8 | Very low | 67 Ų | 67 | 126.5 Ų | 126.5 | 44% | 0.435 | 71% | 0.714 | S | S | . | * | cis | -138.3 | -111.7 | 21.1 | 26.4 | 4.9 | 0 | 0 | 0 | 119.9 | I674 T675 N676 | I674-P1259 WeakPolarHBondContact CG2-O 3.3Å; T675-P1259 CarbonylContact C-O 3.59Å; T675-P1259 VanDerWaalsContact CA-O 3.26Å; T675-P1259 WeakPolarHBondContact CA-O 3.2Å; T675-P1259 WeakPolarHBondContact CB-O 3.38Å; T675-P1259 PolarHBondContact N-O 3.23Å; T675-P1259 VanDerWaalsContact OG1-CA 3.28Å; T675-P1259 WeakPolarHBondContact OG1-CA 3.3Å; T675-P1259 PolarHBondContact OG1-O 3.12Å; N676-P1259 HydrophobicContact CB-CB 4.47Å; N676-P1259 PolarHBondContact N-O 2.87Å; N676-P1259 CarbonylContact O-C 3.54Å; N676-P1259 VanDerWaalsContact O-C 3.24Å | ||
| 1260 | P | 42.9 | Very low | 28.3 | Very low | 85 Ų | 85 | 128.5 Ų | 128.5 | 55% | 0.552 | 72% | 0.715 | S | S | * | * | trans | 33.4 | 153.8 | -157.5 | 12.2 | 14.6 | 0 | 0 | 0 | 128.1 | T675 N676 | T675-P1260 CarbonylContact C-O 3.59Å; N676-P1260 VanDerWaalsContact C-C 3.48Å; N676-P1260 CarbonylContact C-O 3.33Å; N676-P1260 PolarHBondContact N-O 3.32Å; N676-P1260 CarbonylContact O-C 3.57Å; N676-P1260 WeakPolarHBondContact O-CA 3.1Å; N676-P1260 WeakPolarHBondContact O-CB 3.29Å; N676-P1260 VanDerWaalsContact O-CG 3.25Å; N676-P1260 WeakPolarHBondContact O-CG 3.39Å | ||
| 1261 | V | 24.4 | Very low | 28.8 | Very low | 79 Ų | 79 | 128.3 Ų | 128.3 | 48% | 0.479 | 71% | 0.714 | S | S | . | * | trans | -105.2 | 144.1 | -167.8 | 172.3 | 0 | 0 | 0 | 0 | 116.2 | D677 M678 | D677-V1261 VanDerWaalsContact N-CG2 3.35Å; D677-V1261 WeakPolarHBondContact O-CG2 3.4Å; M678-V1261 WeakPolarHBondContact O-CG2 3.44Å | ||
| 1262 | D | 24.8 | Very low | 29.6 | Very low | 122 Ų | 122 | 128.2 Ų | 128.2 | 65% | 0.652 | 71% | 0.709 | S | S | * | * | 168.6 | 143.3 | 112.3 | -167.5 | 17.4 | 0 | 0 | 0 | 112.6 | |||||
| 1263 | L | 24.9 | Very low | 31.1 | Very low | 178 Ų | 178 | 124.5 Ų | 124.5 | 93% | 0.932 | 70% | 0.698 | S | S | * | * | trans | -143.2 | 79.8 | 173.8 | -79.6 | 178.9 | 0 | 0 | 0 | 112.2 | ||||
| 1264 | S | 22.4 | Very low | 33.4 | Very low | 90 Ų | 90 | 122.5 Ų | 122.5 | 63% | 0.629 | 69% | 0.692 | S | S | * | * | trans | -130.5 | 125.2 | 162 | 76.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1265 | M | 24 | Very low | 36 | Very low | 170 Ų | 170 | 119.7 Ų | 119.7 | 84% | 0.837 | 68% | 0.676 | S | S | * | * | trans | 54.2 | 101.2 | 162.9 | -57.7 | -160.3 | 69.8 | 0 | 0 | 119.8 | ||||
| 1266 | Q | 29.7 | Very low | 38.9 | Very low | 197 Ų | 197 | 116.5 Ų | 116.5 | 92% | 0.921 | 67% | 0.666 | S | S | * | * | -160.8 | 173.5 | 104.4 | -108.1 | 155.7 | 101.2 | 0 | 0 | 114.5 | |||||
| 1267 | S | 23.5 | Very low | 41.6 | Very low | 109 Ų | 109 | 111.9 Ų | 111.9 | 76% | 0.762 | 64% | 0.638 | S | S | * | * | trans | -110.8 | 130 | -161.8 | 56.4 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1268 | T | 29.7 | Very low | 43.9 | Very low | 143 Ų | 143 | 111.9 Ų | 111.9 | 88% | 0.877 | 64% | 0.64 | S | S | * | * | trans | -134.8 | 166.5 | 163.5 | 49.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1269 | S | 31.6 | Very low | 46.4 | Very low | 101 Ų | 101 | 111 Ų | 111 | 71% | 0.706 | 64% | 0.642 | S | S | * | * | trans | -63.7 | 130.4 | -168.3 | 45 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1270 | K | 38.4 | Very low | 48.8 | Very low | 198 Ų | 198 | 110.4 Ų | 110.4 | 86% | 0.861 | 64% | 0.639 | S | S | * | * | trans | -91.9 | 110.8 | 155.7 | -70.2 | -166.2 | 176 | -170.6 | 0 | 109.6 | T1272 | K1270-T1272 PolarHBondContact O-N 3.45Å; K1270-T1272 VanDerWaalsContact O-N 3.13Å | ||
| 1271 | N | 39.7 | Very low | 50.4 | Low | 154 Ų | 154 | 111 Ų | 111 | 82% | 0.824 | 65% | 0.645 | S | S | * | * | trans | -62.9 | 110.5 | 178.1 | -70.5 | -15.2 | 0 | 0 | 0 | 110.5 | S1273 | N1271-S1273 PolarHBondContact O-N 2.74Š| ||
| 1272 | T | 43.4 | Very low | 53.4 | Low | 103 Ų | 103 | 110.7 Ų | 110.7 | 63% | 0.632 | 64% | 0.643 | S | S | * | * | trans | -82.5 | 108.8 | 174.1 | 53.3 | 0 | 0 | 0 | 0 | 109.8 | K1270 T1274 | K1270-T1272 PolarHBondContact O-N 3.45Å; K1270-T1272 VanDerWaalsContact O-N 3.13Å; T1272-T1274 PolarHBondContact O-N 2.97Å | ||
| 1273 | S | 61 | Low | 56 | Low | 77 Ų | 77 | 109.4 Ų | 109.4 | 54% | 0.538 | 64% | 0.641 | S | S | . | * | trans | -57.3 | 124 | 175 | 48.4 | 0 | 0 | 0 | 0 | 111.6 | N1271 S1286 | N1271-S1273 PolarHBondContact O-N 2.74Å; S1273-S1286 WeakPolarHBondContact O-CB 3.36Å; S1273-S1286 PolarHBondContact O-N 2.68Å; S1273-S1286 PolarHBondContact O-OG 3.17Å; S1273-S1286 PolarHBondContact OG-OG 2.71Å | ||
| 1274 | T | 75.5 | Confident | 59 | Low | 91 Ų | 91 | 101.7 Ų | 101.7 | 56% | 0.558 | 60% | 0.602 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -99.8 | 129.5 | 172.6 | 48 | 0 | 0 | 0 | 0 | 109.7 | T1272 | T1272-T1274 PolarHBondContact O-N 2.97Å |
| 1275 | L | 78.6 | Confident | 62.1 | Low | 81 Ų | 81 | 98.8 Ų | 98.8 | 42% | 0.424 | 58% | 0.583 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.1 | 132.1 | 175.6 | -62.8 | 171.4 | 0 | 0 | 0 | 108.5 | V1284 F1289 | L1275-V1284 PolarHBondContact N-O 2.83Å; L1275-V1284 PolarHBondContact O-N 3.4Å; L1275-F1289 HydrophobicContact CB-CD2 3.61Å; L1275-F1289 HydrophobicContact CB-CE2 3.69Å; L1275-F1289 HydrophobicContact CB-CG 4.16Å; L1275-F1289 HydrophobicContact CB-CZ 4.31Å; L1275-F1289 HydrophobicContact CD1-CB 4.29Å; L1275-F1289 HydrophobicContact CD1-CD1 4.01Å; L1275-F1289 HydrophobicContact CD1-CD2 4.26Å; L1275-F1289 HydrophobicContact CD1-CE1 4.37Å; L1275-F1289 HydrophobicContact CD1-CG 3.95Å |
| 1276 | S | 84.2 | Confident | 64.8 | Low | 86 Ų | 86 | 93.3 Ų | 93.3 | 60% | 0.601 | 56% | 0.561 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -71.3 | 135 | 171.2 | 42.5 | 0 | 0 | 0 | 0 | 110.2 | F1289 | S1276-F1289 WeakPolarHBondContact O-CE2 3.33Å |
| 1277 | C | 84.3 | Confident | 67.2 | Low | 1 Ų | 1 | 94.5 Ų | 94.5 | 1% | 0.007 | 56% | 0.557 | C | S | . | * | trans | -74.2 | 127.7 | 173.2 | -177.5 | 0 | 0 | 0 | 0 | 110.5 | V1279 C1280 S1281 V1282 H1292 H1296 | C1277-V1279 PolarHBondContact O-N 3.43Å; C1277-V1279 PolarHBondContact SG-N 3.29Å; C1277-V1279 VanDerWaalsContact SG-N 3.45Å; C1277-C1280 PolarHBondContact O-N 3.27Å; C1277-S1281 WeakPolarHBondContact O-CA 3.34Å; C1277-S1281 PolarHBondContact O-N 3.11Å; C1277-V1282 PolarHBondContact N-O 2.86Å; C1277-H1292 WeakPolarHBondContact CB-NE2 3.41Å; C1277-H1292 PolarHBondContact SG-CD2 2.72Å; C1277-H1292 PolarHBondContact SG-NE2 3.03Å; C1277-H1292 VanDerWaalsContact SG-NE2 3.41Å; C1277-H1296 PolarHBondContact SG-NE2 2.97Å | ||
| 1278 | P | 75.8 | Confident | 70.2 | Confident | 107 Ų | 107 | 92 Ų | 92 | 70% | 0.695 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -17.4 | 177.9 | 26.9 | -35.1 | 0 | 0 | 0 | 113.9 | ||
| 1279 | V | 77.5 | Confident | 72.9 | Confident | 91 Ų | 91 | 87.3 Ų | 87.3 | 55% | 0.552 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -23.5 | -176.5 | -170.2 | 0 | 0 | 0 | 0 | 112.9 | C1277 L1293 H1296 | C1277-V1279 PolarHBondContact O-N 3.43Å; C1277-V1279 PolarHBondContact SG-N 3.29Å; C1277-V1279 VanDerWaalsContact SG-N 3.45Å; V1279-L1293 HydrophobicContact CG2-CD2 4.46Å; V1279-H1296 HydrophobicContact CB-CB 4.46Å; V1279-H1296 HydrophobicContact CG1-CB 4.15Å; V1279-H1296 HydrophobicContact CG2-CB 4.36Å |
| 1280 | C | 88.1 | Confident | 75 | Confident | 56 Ų | 56 | 92.7 Ų | 92.7 | 38% | 0.378 | 51% | 0.512 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -148.8 | 15.7 | -178.8 | 76.6 | 0 | 0 | 0 | 0 | 115.2 | C1277 V1282 H1292 | C1277-C1280 PolarHBondContact O-N 3.27Å; C1280-V1282 PolarHBondContact O-N 3.39Å; C1280-H1292 PolarHBondContact SG-NE2 2.93Å; C1280-H1292 VanDerWaalsContact SG-NE2 3.39Å |
| 1281 | S | 77 | Confident | 76.8 | Confident | 97 Ų | 97 | 92.3 Ų | 92.3 | 68% | 0.678 | 51% | 0.505 | S | S | * | . | trans | 56.3 | -3.5 | 175.5 | -55.9 | 0 | 0 | 0 | 0 | 118.2 | C1277 | C1277-S1281 WeakPolarHBondContact O-CA 3.34Å; C1277-S1281 PolarHBondContact O-N 3.11Å | ||
| 1282 | V | 86.3 | Confident | 78.9 | Confident | 73 Ų | 73 | 86.9 Ų | 86.9 | 44% | 0.442 | 47% | 0.474 | S | S | . | . | trans | -63 | 131.9 | 178.9 | 174.7 | 0 | 0 | 0 | 0 | 110.6 | C1277 C1280 V1284 | C1277-V1282 PolarHBondContact N-O 2.86Å; C1280-V1282 PolarHBondContact O-N 3.39Å; V1282-V1284 HydrophobicContact CG1-CG2 4.2Å; V1282-V1284 PolarHBondContact O-N 3.27Å | ||
| 1283 | P | 80 | Confident | 80.5 | Confident | 94 Ų | 94 | 84 Ų | 84 | 61% | 0.61 | 46% | 0.455 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 121.8 | 171.7 | 28.8 | -33.5 | 0 | 0 | 0 | 110.9 | ||
| 1284 | V | 88.9 | Confident | 81 | Confident | 17 Ų | 17 | 83.3 Ų | 83.3 | 10% | 0.103 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 127.9 | -178.4 | -179.9 | 0 | 0 | 0 | 0 | 109.2 | L1275 V1282 S1286 C1288 F1289 H1292 | L1275-V1284 PolarHBondContact N-O 2.83Å; L1275-V1284 PolarHBondContact O-N 3.4Å; V1282-V1284 HydrophobicContact CG1-CG2 4.2Å; V1282-V1284 PolarHBondContact O-N 3.27Å; V1284-S1286 PolarHBondContact O-N 2.78Å; V1284-C1288 HydrophobicContact CG1-CB 3.6Å; V1284-F1289 HydrophobicContact CB-CD2 4.38Å; V1284-H1292 HydrophobicContact CG1-CB 4.16Å; V1284-H1292 HydrophobicContact CG2-CB 4.29Å |
| 1285 | A | 86.6 | Confident | 80.9 | Confident | 29 Ų | 29 | 84.6 Ų | 84.6 | 24% | 0.24 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.9 | 133.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | R1287 C1288 F1289 | A1285-R1287 VanDerWaalsContact C-N 3.29Å; A1285-R1287 PolarHBondContact O-N 3.02Å; A1285-R1287 VanDerWaalsContact O-N 3.07Å; A1285-C1288 WeakPolarHBondContact O-CA 3.31Å; A1285-C1288 WeakPolarHBondContact O-CB 3.45Å; A1285-C1288 PolarHBondContact O-N 3.35Å; A1285-F1289 PolarHBondContact O-N 3.33Å |
| 1286 | S | 81.2 | Confident | 80.5 | Confident | 54 Ų | 54 | 83.1 Ų | 83.1 | 38% | 0.378 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -45.6 | -45.9 | -170.7 | 52.6 | 0 | 0 | 0 | 0 | 114.6 | S1273 V1284 C1288 F1289 | S1273-S1286 WeakPolarHBondContact O-CB 3.36Å; S1273-S1286 PolarHBondContact O-N 2.68Å; S1273-S1286 PolarHBondContact O-OG 3.17Å; S1273-S1286 PolarHBondContact OG-OG 2.71Å; V1284-S1286 PolarHBondContact O-N 2.78Å; S1286-C1288 PolarHBondContact O-N 3.29Å; S1286-F1289 VanDerWaalsContact O-CB 3.29Å; S1286-F1289 WeakPolarHBondContact O-CB 3.48Å; S1286-F1289 PolarHBondContact O-N 2.74Å |
| 1287 | R | 80.1 | Confident | 78.8 | Confident | 222 Ų | 222 | 85.7 Ų | 85.7 | 84% | 0.838 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -55.5 | -22 | 175 | 69.3 | 178.5 | -176.7 | 176.4 | -1 | 115.7 | A1285 | A1285-R1287 VanDerWaalsContact C-N 3.29Å; A1285-R1287 PolarHBondContact O-N 3.02Å; A1285-R1287 VanDerWaalsContact O-N 3.07Å |
| 1288 | C | 85 | Confident | 76.9 | Confident | 57 Ų | 57 | 91.1 Ų | 91.1 | 39% | 0.385 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -102.5 | -15.7 | 178.8 | -67 | 0 | 0 | 0 | 0 | 112.8 | V1284 A1285 S1286 R1290 R1291 H1292 | V1284-C1288 HydrophobicContact CG1-CB 3.6Å; A1285-C1288 WeakPolarHBondContact O-CA 3.31Å; A1285-C1288 WeakPolarHBondContact O-CB 3.45Å; A1285-C1288 PolarHBondContact O-N 3.35Å; S1286-C1288 PolarHBondContact O-N 3.29Å; C1288-R1290 PolarHBondContact O-N 2.93Å; C1288-R1291 CarbonylContact O-C 3.57Å; C1288-R1291 PolarHBondContact O-N 2.9Å; C1288-H1292 PolarHBondContact O-N 3.19Å |
| 1289 | F | 86.8 | Confident | 74.9 | Confident | 44 Ų | 44 | 93.4 Ų | 93.4 | 19% | 0.193 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -56.8 | -48.2 | -170.6 | -171.9 | -107.4 | 0 | 0 | 0 | 112.5 | L1275 S1276 V1284 A1285 S1286 R1291 H1292 L1293 | L1275-F1289 HydrophobicContact CB-CD2 3.61Å; L1275-F1289 HydrophobicContact CB-CE2 3.69Å; L1275-F1289 HydrophobicContact CB-CG 4.16Å; L1275-F1289 HydrophobicContact CB-CZ 4.31Å; L1275-F1289 HydrophobicContact CD1-CB 4.29Å; L1275-F1289 HydrophobicContact CD1-CD1 4.01Å; L1275-F1289 HydrophobicContact CD1-CD2 4.26Å; L1275-F1289 HydrophobicContact CD1-CE1 4.37Å; L1275-F1289 HydrophobicContact CD1-CG 3.95Å; S1276-F1289 WeakPolarHBondContact O-CE2 3.33Å; V1284-F1289 HydrophobicContact CB-CD2 4.38Å; A1285-F1289 PolarHBondContact O-N 3.33Å; S1286-F1289 VanDerWaalsContact O-CB 3.29Å; S1286-F1289 WeakPolarHBondContact O-CB 3.48Å; S1286-F1289 PolarHBondContact O-N 2.74Å; F1289-R1291 VanDerWaalsContact C-N 3.3Å; F1289-R1291 PolarHBondContact O-N 2.76Å; F1289-H1292 WeakPolarHBondContact O-CB 3.43Å; F1289-H1292 PolarHBondContact O-N 3.15Å; F1289-L1293 HydrophobicContact CD1-CD1 3.88Å; F1289-L1293 HydrophobicContact CE1-CD1 3.46Å; F1289-L1293 VanDerWaalsContact CE1-CD1 3.46Å; F1289-L1293 HydrophobicContact CE1-CG 4.34Å; F1289-L1293 HydrophobicContact CZ-CD1 4.01Å; F1289-L1293 PolarHBondContact O-N 2.98Å |
| 1290 | R | 77.1 | Confident | 72.9 | Confident | 214 Ų | 214 | 93.5 Ų | 93.5 | 81% | 0.808 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -60.8 | -36.9 | 177.1 | -146.6 | 178.4 | -162.8 | -179.2 | 6.5 | 112.4 | C1288 H1292 T1294 | C1288-R1290 PolarHBondContact O-N 2.93Å; R1290-H1292 VanDerWaalsContact C-N 3.32Å; R1290-T1294 WeakPolarHBondContact O-CG2 3.15Å; R1290-T1294 PolarHBondContact O-N 2.93Å; R1290-T1294 VanDerWaalsContact O-N 3.1Å; R1290-T1294 PolarHBondContact O-OG1 3.01Å |
| 1291 | R | 75.4 | Confident | 70.9 | Confident | 191 Ų | 191 | 95.5 Ų | 95.5 | 72% | 0.721 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -75.7 | -20.6 | 177 | -152.8 | -173.5 | 79 | 162.5 | 3.3 | 113.1 | C1288 F1289 T1294 L1295 | C1288-R1291 CarbonylContact O-C 3.57Å; C1288-R1291 PolarHBondContact O-N 2.9Å; F1289-R1291 VanDerWaalsContact C-N 3.3Å; F1289-R1291 PolarHBondContact O-N 2.76Å; R1291-T1294 WeakPolarHBondContact CA-OG1 2.97Å; R1291-T1294 PolarHBondContact O-OG1 3.44Å; R1291-T1294 VanDerWaalsContact O-OG1 3.14Å; R1291-L1295 WeakPolarHBondContact O-CG 3.47Å |
| 1292 | H | 84.1 | Confident | 69.1 | Low | 39 Ų | 39 | 96.3 Ų | 96.3 | 18% | 0.181 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -81.5 | -42.1 | 173.3 | 179.7 | 90.1 | 0 | 0 | 0 | 110.8 | C1277 C1280 V1284 C1288 F1289 R1290 T1294 L1295 H1296 | C1277-H1292 WeakPolarHBondContact CB-NE2 3.41Å; C1277-H1292 PolarHBondContact SG-CD2 2.72Å; C1277-H1292 PolarHBondContact SG-NE2 3.03Å; C1277-H1292 VanDerWaalsContact SG-NE2 3.41Å; C1280-H1292 PolarHBondContact SG-NE2 2.93Å; C1280-H1292 VanDerWaalsContact SG-NE2 3.39Å; V1284-H1292 HydrophobicContact CG1-CB 4.16Å; V1284-H1292 HydrophobicContact CG2-CB 4.29Å; C1288-H1292 PolarHBondContact O-N 3.19Å; F1289-H1292 WeakPolarHBondContact O-CB 3.43Å; F1289-H1292 PolarHBondContact O-N 3.15Å; R1290-H1292 VanDerWaalsContact C-N 3.32Å; H1292-T1294 VanDerWaalsContact C-N 3.34Å; H1292-T1294 PolarHBondContact O-N 3.1Å; H1292-L1295 WeakPolarHBondContact O-CB 3.06Å; H1292-L1295 PolarHBondContact O-N 3.1Å; H1292-H1296 AromaticContact CD2-CD2 3.9Å; H1292-H1296 AromaticContact CD2-NE2 3.57Å; H1292-H1296 AromaticContact CE1-NE2 3.77Å; H1292-H1296 AromaticContact NE2-CD2 3.87Å; H1292-H1296 AromaticContact NE2-NE2 3.06Å; H1292-H1296 PolarHBondContact NE2-NE2 3.14Å; H1292-H1296 PolarHBondContact O-CD2 2.87Å |
| 1293 | L | 77.5 | Confident | 66.6 | Low | 43 Ų | 43 | 101.8 Ų | 101.8 | 23% | 0.225 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -59.5 | -40.9 | 171 | -79.2 | 169.9 | 0 | 0 | 0 | 112.6 | V1279 F1289 L1295 H1296 Q1297 | V1279-L1293 HydrophobicContact CG2-CD2 4.46Å; F1289-L1293 HydrophobicContact CD1-CD1 3.88Å; F1289-L1293 HydrophobicContact CE1-CD1 3.46Å; F1289-L1293 VanDerWaalsContact CE1-CD1 3.46Å; F1289-L1293 HydrophobicContact CE1-CG 4.34Å; F1289-L1293 HydrophobicContact CZ-CD1 4.01Å; F1289-L1293 PolarHBondContact O-N 2.98Å; L1293-L1295 PolarHBondContact O-N 2.92Å; L1293-L1295 VanDerWaalsContact O-N 3.1Å; L1293-H1296 PolarHBondContact O-N 2.92Å; L1293-Q1297 PolarHBondContact O-N 2.96Å |
| 1294 | T | 70.9 | Confident | 64.3 | Low | 62 Ų | 62 | 105.2 Ų | 105.2 | 38% | 0.38 | 51% | 0.508 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -2.2 | 173.8 | 57.7 | 0 | 0 | 0 | 0 | 114.7 | R1290 R1291 H1292 L1298 | R1290-T1294 WeakPolarHBondContact O-CG2 3.15Å; R1290-T1294 PolarHBondContact O-N 2.93Å; R1290-T1294 VanDerWaalsContact O-N 3.1Å; R1290-T1294 PolarHBondContact O-OG1 3.01Å; R1291-T1294 WeakPolarHBondContact CA-OG1 2.97Å; R1291-T1294 PolarHBondContact O-OG1 3.44Å; R1291-T1294 VanDerWaalsContact O-OG1 3.14Å; H1292-T1294 VanDerWaalsContact C-N 3.34Å; H1292-T1294 PolarHBondContact O-N 3.1Å; T1294-L1298 WeakPolarHBondContact O-CD1 3.45Å; T1294-L1298 WeakPolarHBondContact O-CG 3.28Å |
| 1295 | L | 73.9 | Confident | 62.4 | Low | 118 Ų | 118 | 107.7 Ų | 107.7 | 62% | 0.618 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | -12.2 | 167.5 | -70 | 168.5 | 0 | 0 | 0 | 112.5 | R1291 H1292 L1293 | R1291-L1295 WeakPolarHBondContact O-CG 3.47Å; H1292-L1295 WeakPolarHBondContact O-CB 3.06Å; H1292-L1295 PolarHBondContact O-N 3.1Å; L1293-L1295 PolarHBondContact O-N 2.92Å; L1293-L1295 VanDerWaalsContact O-N 3.1Å |
| 1296 | H | 70 | Confident | 60.2 | Low | 50 Ų | 50 | 113.1 Ų | 113.1 | 23% | 0.231 | 55% | 0.545 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | -38.3 | 168.7 | -60.8 | -69.9 | 0 | 0 | 0 | 111.3 | C1277 V1279 H1292 L1293 L1298 | C1277-H1296 PolarHBondContact SG-NE2 2.97Å; V1279-H1296 HydrophobicContact CB-CB 4.46Å; V1279-H1296 HydrophobicContact CG1-CB 4.15Å; V1279-H1296 HydrophobicContact CG2-CB 4.36Å; H1292-H1296 AromaticContact CD2-CD2 3.9Å; H1292-H1296 AromaticContact CD2-NE2 3.57Å; H1292-H1296 AromaticContact CE1-NE2 3.77Å; H1292-H1296 AromaticContact NE2-CD2 3.87Å; H1292-H1296 AromaticContact NE2-NE2 3.06Å; H1292-H1296 PolarHBondContact NE2-NE2 3.14Å; H1292-H1296 PolarHBondContact O-CD2 2.87Å; L1293-H1296 PolarHBondContact O-N 2.92Å; H1296-L1298 PolarHBondContact O-N 3.07Å |
| 1297 | Q | 48.4 | Very low | 58.2 | Low | 140 Ų | 140 | 112 Ų | 112 | 65% | 0.654 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -72.5 | 14.4 | 174.7 | -62.3 | 179.6 | -50.4 | 0 | 0 | 114.6 | L1293 | L1293-Q1297 PolarHBondContact O-N 2.96Š|
| 1298 | L | 43.4 | Very low | 56.5 | Low | 115 Ų | 115 | 106.4 Ų | 106.4 | 60% | 0.602 | 53% | 0.529 | S | S | * | . | trans | -107.1 | 92 | 169.1 | -77.6 | 171.2 | 0 | 0 | 0 | 106.8 | T1294 H1296 N1300 | T1294-L1298 WeakPolarHBondContact O-CD1 3.45Å; T1294-L1298 WeakPolarHBondContact O-CG 3.28Å; H1296-L1298 PolarHBondContact O-N 3.07Å; L1298-N1300 PolarHBondContact O-N 2.78Å | ||
| 1299 | D | 35.6 | Very low | 54.7 | Low | 155 Ų | 155 | 109.2 Ų | 109.2 | 83% | 0.829 | 54% | 0.536 | S | S | * | . | trans | -67.5 | 66.3 | 173.5 | -63.1 | -62.2 | 0 | 0 | 0 | 110.6 | ||||
| 1300 | N | 34.9 | Very low | 53.4 | Low | 94 Ų | 94 | 109.8 Ų | 109.8 | 50% | 0.503 | 54% | 0.539 | S | S | . | . | trans | -142.1 | 71.7 | -169.8 | -150.5 | -68.5 | 0 | 0 | 0 | 109.5 | L1298 V1302 | L1298-N1300 PolarHBondContact O-N 2.78Å; N1300-V1302 PolarHBondContact O-N 3.43Å; N1300-V1302 WeakPolarHBondContact OD1-CG2 3.39Å | ||
| 1301 | P | 45.7 | Very low | 53 | Low | 98 Ų | 98 | 103.4 Ų | 103.4 | 64% | 0.636 | 52% | 0.524 | S | S | * | . | G | 310 helix | trans | -64.2 | -7.4 | -174.7 | 25.2 | -34.5 | 0 | 0 | 0 | 114.3 | F1303 R1304 | P1301-F1303 PolarHBondContact O-N 3.37Å; P1301-R1304 PolarHBondContact O-N 3.19Å |
| 1302 | V | 40.1 | Very low | 52.3 | Low | 113 Ų | 113 | 97.9 Ų | 97.9 | 69% | 0.685 | 51% | 0.505 | S | S | * | . | G | 310 helix | trans | -51.2 | -23.5 | -178.9 | -176.7 | 0 | 0 | 0 | 0 | 114 | N1300 | N1300-V1302 PolarHBondContact O-N 3.43Å; N1300-V1302 WeakPolarHBondContact OD1-CG2 3.39Å |
| 1303 | F | 33.5 | Very low | 51.6 | Low | 188 Ų | 188 | 102 Ų | 102 | 83% | 0.825 | 53% | 0.525 | S | S | * | . | G | 310 helix | trans | -105.2 | 12.7 | 179 | -71.2 | -73.5 | 0 | 0 | 0 | 115.9 | P1301 | P1301-F1303 PolarHBondContact O-N 3.37Š|
| 1304 | R | 32 | Very low | 51.3 | Low | 167 Ų | 167 | 103.1 Ų | 103.1 | 63% | 0.63 | 53% | 0.531 | S | S | * | . | trans | -128.7 | 107.6 | 168.8 | -83 | -178.4 | 161.8 | -180 | -8.5 | 111.4 | P1301 H1306 | P1301-R1304 PolarHBondContact O-N 3.19Å; R1304-H1306 PolarHBondContact O-N 3.05Å | ||
| 1305 | C | 48.3 | Very low | 50.9 | Low | 69 Ų | 69 | 101.4 Ų | 101.4 | 47% | 0.466 | 52% | 0.519 | S | S | . | . | trans | -64.7 | 114.8 | 169 | -176 | 0 | 0 | 0 | 0 | 109.7 | L1307 C1308 | C1305-L1307 VanDerWaalsContact C-N 3.29Å; C1305-L1307 PolarHBondContact O-N 3.01Å; C1305-C1308 HydrophobicContact CB-CB 4.16Å; C1305-C1308 WeakPolarHBondContact O-CB 3.44Å; C1305-C1308 PolarHBondContact O-N 3.26Å; C1305-C1308 VanDerWaalsContact O-N 3.08Å | ||
| 1306 | H | 41.1 | Very low | 51 | Low | 143 Ų | 143 | 97.5 Ų | 97.5 | 66% | 0.662 | 50% | 0.499 | S | S | * | . | G | 310 helix | trans | -58.6 | -40.2 | 179.6 | -109 | -85.1 | 0 | 0 | 0 | 112.4 | R1304 C1308 Q1309 Q1310 | R1304-H1306 PolarHBondContact O-N 3.05Å; H1306-C1308 PolarHBondContact O-N 2.81Å; H1306-C1308 VanDerWaalsContact O-N 3.16Å; H1306-Q1309 PolarHBondContact O-N 3.49Å; H1306-Q1310 PolarHBondContact O-N 3.32Å |
| 1307 | L | 38.1 | Very low | 51.2 | Low | 31 Ų | 31 | 98 Ų | 98 | 16% | 0.162 | 51% | 0.509 | C | S | . | . | G | 310 helix | trans | -56.2 | -31.7 | 176.1 | -54.7 | 168.8 | 0 | 0 | 0 | 112.3 | L1165 A1168 C1305 Q1309 Q1315 | L1165-L1307 HydrophobicContact CD2-CD1 3.85Å; L1165-L1307 HydrophobicContact CD2-CD2 3.75Å; L1165-L1307 HydrophobicContact CD2-CG 4.46Å; A1168-L1307 HydrophobicContact CB-CB 4.46Å; A1168-L1307 HydrophobicContact CB-CD1 4.07Å; C1305-L1307 VanDerWaalsContact C-N 3.29Å; C1305-L1307 PolarHBondContact O-N 3.01Å; L1307-Q1309 PolarHBondContact O-N 3.28Å; L1307-Q1315 VanDerWaalsContact O-CD 3.31Å; L1307-Q1315 PolarHBondContact O-NE2 3.33Å |
| 1308 | C | 44.2 | Very low | 52.6 | Low | 104 Ų | 104 | 93.6 Ų | 93.6 | 70% | 0.703 | 49% | 0.491 | S | S | * | . | G | 310 helix | trans | -78.1 | -1.6 | 179.6 | -62.6 | 0 | 0 | 0 | 0 | 114.3 | C1305 H1306 | C1305-C1308 HydrophobicContact CB-CB 4.16Å; C1305-C1308 WeakPolarHBondContact O-CB 3.44Å; C1305-C1308 PolarHBondContact O-N 3.26Å; C1305-C1308 VanDerWaalsContact O-N 3.08Å; H1306-C1308 PolarHBondContact O-N 2.81Å; H1306-C1308 VanDerWaalsContact O-N 3.16Å |
| 1309 | Q | 47 | Very low | 54.3 | Low | 116 Ų | 116 | 89 Ų | 89 | 54% | 0.542 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.3 | -22.6 | 173.3 | -67.9 | 176.4 | 98.5 | 0 | 0 | 112.5 | H1306 L1307 | H1306-Q1309 PolarHBondContact O-N 3.49Å; L1307-Q1309 PolarHBondContact O-N 3.28Å |
| 1310 | Q | 59.6 | Low | 56.4 | Low | 56 Ų | 56 | 83.5 Ų | 83.5 | 26% | 0.262 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -61.8 | 143.9 | 170.7 | -86 | -176.4 | -26 | 0 | 0 | 112.1 | H1306 D1314 Q1315 T1318 | H1306-Q1310 PolarHBondContact O-N 3.32Å; Q1310-D1314 HydrophobicContact CB-CB 3.76Å; Q1310-D1314 HydrophobicContact CG-CB 3.76Å; Q1310-Q1315 HydrophobicContact CB-CG 3.75Å; Q1310-Q1315 PolarHBondContact O-NE2 3.36Å; Q1310-T1318 PolarHBondContact NE2-OG1 3.39Å |
| 1311 | T | 69.7 | Low | 58.4 | Low | 79 Ų | 79 | 84.4 Ų | 84.4 | 49% | 0.485 | 44% | 0.44 | S | S | . | . | trans | -66.8 | 169.1 | 171.2 | 71.8 | 0 | 0 | 0 | 0 | 111.1 | Q1313 D1314 Q1315 | T1311-Q1313 PolarHBondContact O-N 2.84Å; T1311-Q1313 PolarHBondContact OG1-N 2.88Å; T1311-D1314 VanDerWaalsContact CB-OD2 3.24Å; T1311-D1314 WeakPolarHBondContact CB-OD2 3.49Å; T1311-D1314 VanDerWaalsContact CG2-OD2 3.32Å; T1311-D1314 WeakPolarHBondContact CG2-OD2 3.22Å; T1311-D1314 PolarHBondContact N-OD2 3.19Å; T1311-D1314 PolarHBondContact O-N 2.94Å; T1311-D1314 PolarHBondContact OG1-N 3.4Å; T1311-D1314 PolarHBondContact OG1-OD2 3.47Å; T1311-Q1315 WeakPolarHBondContact O-CG 3.38Å; T1311-Q1315 PolarHBondContact O-N 2.83Å | ||
| 1312 | F | 60.2 | Low | 60.1 | Low | 76 Ų | 76 | 80.3 Ų | 80.3 | 33% | 0.333 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -55.2 | -40 | 172.1 | 178.2 | -100.3 | 0 | 0 | 0 | 111.9 | A1172 V1173 S1176 Q1315 V1316 | A1172-F1312 HydrophobicContact CB-CD2 3.71Å; A1172-F1312 HydrophobicContact CB-CE2 4.18Å; V1173-F1312 HydrophobicContact CB-CE2 4.46Å; V1173-F1312 HydrophobicContact CG2-CE2 3.73Å; V1173-F1312 HydrophobicContact CG2-CZ 4.09Å; S1176-F1312 WeakPolarHBondContact OG-CB 3.5Å; S1176-F1312 WeakPolarHBondContact OG-CD2 3.43Å; S1176-F1312 WeakPolarHBondContact OG-CG 3.36Å; F1312-Q1315 PolarHBondContact O-N 3.5Å; F1312-V1316 HydrophobicContact CD1-CG2 4.29Å; F1312-V1316 HydrophobicContact CD2-CG2 4.49Å; F1312-V1316 HydrophobicContact CE1-CG2 3.85Å; F1312-V1316 HydrophobicContact CE2-CG2 4.06Å; F1312-V1316 HydrophobicContact CZ-CG2 3.72Å; F1312-V1316 WeakPolarHBondContact O-CB 3.26Å; F1312-V1316 WeakPolarHBondContact O-CG2 3.47Å; F1312-V1316 PolarHBondContact O-N 2.9Å |
| 1313 | Q | 69.9 | Low | 62.1 | Low | 126 Ų | 126 | 75.8 Ų | 75.8 | 59% | 0.589 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -68.1 | -40.6 | 180 | -167.1 | 66.1 | 9.7 | 0 | 0 | 111.7 | T1311 V1316 S1317 | T1311-Q1313 PolarHBondContact O-N 2.84Å; T1311-Q1313 PolarHBondContact OG1-N 2.88Å; Q1313-V1316 PolarHBondContact O-N 2.86Å; Q1313-S1317 WeakPolarHBondContact O-CB 3.45Å; Q1313-S1317 PolarHBondContact O-N 3.26Å; Q1313-S1317 PolarHBondContact O-OG 3.36Å |
| 1314 | D | 70.7 | Confident | 64.3 | Low | 65 Ų | 65 | 72.8 Ų | 72.8 | 35% | 0.348 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -68.2 | -35.5 | 177.5 | -52.1 | -47.9 | 0 | 0 | 0 | 112.2 | Q1310 T1311 S1317 T1318 | Q1310-D1314 HydrophobicContact CB-CB 3.76Å; Q1310-D1314 HydrophobicContact CG-CB 3.76Å; T1311-D1314 VanDerWaalsContact CB-OD2 3.24Å; T1311-D1314 WeakPolarHBondContact CB-OD2 3.49Å; T1311-D1314 VanDerWaalsContact CG2-OD2 3.32Å; T1311-D1314 WeakPolarHBondContact CG2-OD2 3.22Å; T1311-D1314 PolarHBondContact N-OD2 3.19Å; T1311-D1314 PolarHBondContact O-N 2.94Å; T1311-D1314 PolarHBondContact OG1-N 3.4Å; T1311-D1314 PolarHBondContact OG1-OD2 3.47Å; D1314-S1317 WeakPolarHBondContact CA-OG 3.39Å; D1314-S1317 PolarHBondContact O-OG 3.27Å; D1314-S1317 VanDerWaalsContact O-OG 3.04Å; D1314-T1318 VanDerWaalsContact O-CB 3.27Å; D1314-T1318 WeakPolarHBondContact O-CB 3.4Å; D1314-T1318 PolarHBondContact O-N 3.43Å; D1314-T1318 PolarHBondContact O-OG1 3.4Å |
| 1315 | Q | 62.6 | Low | 66.3 | Low | 27 Ų | 27 | 70.6 Ų | 70.6 | 13% | 0.126 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -68.5 | -42.1 | 174.8 | -70.1 | 176.7 | 52.6 | 0 | 0 | 110.9 | L1307 Q1310 T1311 F1312 L1319 | L1307-Q1315 VanDerWaalsContact O-CD 3.31Å; L1307-Q1315 PolarHBondContact O-NE2 3.33Å; Q1310-Q1315 HydrophobicContact CB-CG 3.75Å; Q1310-Q1315 PolarHBondContact O-NE2 3.36Å; T1311-Q1315 WeakPolarHBondContact O-CG 3.38Å; T1311-Q1315 PolarHBondContact O-N 2.83Å; F1312-Q1315 PolarHBondContact O-N 3.5Å; Q1315-L1319 VanDerWaalsContact O-CB 3.28Å; Q1315-L1319 WeakPolarHBondContact O-CB 3.4Å; Q1315-L1319 PolarHBondContact O-N 3.31Å |
| 1316 | V | 76.3 | Confident | 67.9 | Low | 35 Ų | 35 | 69.8 Ų | 69.8 | 21% | 0.212 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -66.8 | -41.4 | 175.5 | 170.2 | 0 | 0 | 0 | 0 | 111.2 | F1312 Q1313 L1319 T1320 | F1312-V1316 HydrophobicContact CD1-CG2 4.29Å; F1312-V1316 HydrophobicContact CD2-CG2 4.49Å; F1312-V1316 HydrophobicContact CE1-CG2 3.85Å; F1312-V1316 HydrophobicContact CE2-CG2 4.06Å; F1312-V1316 HydrophobicContact CZ-CG2 3.72Å; F1312-V1316 WeakPolarHBondContact O-CB 3.26Å; F1312-V1316 WeakPolarHBondContact O-CG2 3.47Å; F1312-V1316 PolarHBondContact O-N 2.9Å; Q1313-V1316 PolarHBondContact O-N 2.86Å; V1316-L1319 PolarHBondContact O-N 2.99Å; V1316-T1320 WeakPolarHBondContact O-CB 3.36Å; V1316-T1320 PolarHBondContact O-N 2.93Å; V1316-T1320 PolarHBondContact O-OG1 2.78Å |
| 1317 | S | 74.5 | Confident | 69.7 | Low | 62 Ų | 62 | 66.1 Ų | 66.1 | 43% | 0.434 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.4 | -44.2 | 176.9 | 68 | 0 | 0 | 0 | 0 | 111.6 | Q1313 D1314 L1319 T1320 H1321 | Q1313-S1317 WeakPolarHBondContact O-CB 3.45Å; Q1313-S1317 PolarHBondContact O-N 3.26Å; Q1313-S1317 PolarHBondContact O-OG 3.36Å; D1314-S1317 WeakPolarHBondContact CA-OG 3.39Å; D1314-S1317 PolarHBondContact O-OG 3.27Å; D1314-S1317 VanDerWaalsContact O-OG 3.04Å; S1317-L1319 VanDerWaalsContact C-N 3.3Å; S1317-L1319 PolarHBondContact O-N 2.64Å; S1317-T1320 PolarHBondContact O-N 2.96Å; S1317-H1321 WeakPolarHBondContact O-CB 3.32Å; S1317-H1321 PolarHBondContact O-N 3.44Å |
| 1318 | T | 76.6 | Confident | 71.6 | Confident | 46 Ų | 46 | 70.3 Ų | 70.3 | 28% | 0.282 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -56.5 | -43.4 | 173.7 | -56.8 | 0 | 0 | 0 | 0 | 111.5 | Q1310 D1314 W1322 | Q1310-T1318 PolarHBondContact NE2-OG1 3.39Å; D1314-T1318 VanDerWaalsContact O-CB 3.27Å; D1314-T1318 WeakPolarHBondContact O-CB 3.4Å; D1314-T1318 PolarHBondContact O-N 3.43Å; D1314-T1318 PolarHBondContact O-OG1 3.4Å; T1318-W1322 PolarHBondContact O-N 3.36Å |
| 1319 | L | 80.8 | Confident | 72.9 | Confident | 20 Ų | 20 | 68.9 Ų | 68.9 | 11% | 0.105 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -74.9 | -30 | -179.2 | -156.5 | 155 | 0 | 0 | 0 | 112.1 | L1165 A1169 Q1315 V1316 S1317 A1323 W1330 | L1165-L1319 HydrophobicContact CB-CD1 4.01Å; L1165-L1319 HydrophobicContact CB-CG 4.43Å; A1169-L1319 HydrophobicContact CB-CD1 3.58Å; Q1315-L1319 VanDerWaalsContact O-CB 3.28Å; Q1315-L1319 WeakPolarHBondContact O-CB 3.4Å; Q1315-L1319 PolarHBondContact O-N 3.31Å; V1316-L1319 PolarHBondContact O-N 2.99Å; S1317-L1319 VanDerWaalsContact C-N 3.3Å; S1317-L1319 PolarHBondContact O-N 2.64Å; L1319-A1323 WeakPolarHBondContact O-CB 3.42Å; L1319-A1323 PolarHBondContact O-N 2.92Å; L1319-W1330 HydrophobicContact CD2-CH2 3.67Å; L1319-W1330 HydrophobicContact CD2-CZ3 3.53Å |
| 1320 | T | 78.4 | Confident | 74.6 | Confident | 39 Ų | 39 | 65.4 Ų | 65.4 | 24% | 0.239 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -70.6 | -42.2 | 172.3 | -52.8 | 0 | 0 | 0 | 0 | 111.2 | V1316 S1317 A1323 I1324 L1354 | V1316-T1320 WeakPolarHBondContact O-CB 3.36Å; V1316-T1320 PolarHBondContact O-N 2.93Å; V1316-T1320 PolarHBondContact O-OG1 2.78Å; S1317-T1320 PolarHBondContact O-N 2.96Å; T1320-A1323 PolarHBondContact O-N 3.21Å; T1320-I1324 HydrophobicContact CG2-CD1 4.15Å; T1320-I1324 WeakPolarHBondContact O-CG1 3.46Å; T1320-I1324 PolarHBondContact O-N 3.5Å; T1320-L1354 HydrophobicContact CG2-CD2 4.46Å |
| 1321 | H | 78.1 | Confident | 75.2 | Confident | 112 Ų | 112 | 65.4 Ų | 65.4 | 52% | 0.519 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -58.8 | -49.6 | 174.2 | -158.5 | -84.1 | 0 | 0 | 0 | 110.3 | S1317 A1323 I1324 E1325 | S1317-H1321 WeakPolarHBondContact O-CB 3.32Å; S1317-H1321 PolarHBondContact O-N 3.44Å; H1321-A1323 VanDerWaalsContact C-N 3.32Å; H1321-A1323 PolarHBondContact O-N 2.96Å; H1321-I1324 PolarHBondContact O-N 3.24Å; H1321-E1325 IonicContact CE1-OE1 3.23Å; H1321-E1325 PolarHBondContact CE1-OE1 3.28Å; H1321-E1325 VanDerWaalsContact CE1-OE1 3.23Å; H1321-E1325 IonicContact CE1-OE2 3.35Å; H1321-E1325 PolarHBondContact CE1-OE2 2.9Å; H1321-E1325 IonicContact CG-OE2 3.89Å; H1321-E1325 IonicContact ND1-OE1 3.5Å; H1321-E1325 IonicContact ND1-OE2 2.72Å; H1321-E1325 PolarHBondContact ND1-OE2 3.41Å; H1321-E1325 PolarHBondContact O-N 3.1Å |
| 1322 | W | 80.8 | Confident | 75.4 | Confident | 12 Ų | 12 | 67.6 Ų | 67.6 | 5% | 0.045 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -60.1 | -38.5 | 175.8 | -169.1 | 76 | 0 | 0 | 0 | 113 | P1162 L1165 T1318 I1324 H1326 E1329 W1330 | P1162-W1322 HydrophobicContact CB-CE3 4.3Å; P1162-W1322 HydrophobicContact CB-CH2 3.51Å; P1162-W1322 HydrophobicContact CB-CZ2 4.14Å; P1162-W1322 HydrophobicContact CB-CZ3 3.57Å; P1162-W1322 HydrophobicContact CG-CH2 3.67Å; P1162-W1322 HydrophobicContact CG-CZ2 4.13Å; P1162-W1322 HydrophobicContact CG-CZ3 4.25Å; L1165-W1322 HydrophobicContact CD1-CB 4.42Å; L1165-W1322 HydrophobicContact CD1-CD2 4.25Å; L1165-W1322 HydrophobicContact CD1-CG 4.12Å; T1318-W1322 PolarHBondContact O-N 3.36Å; W1322-I1324 VanDerWaalsContact C-N 3.28Å; W1322-I1324 PolarHBondContact O-N 3.06Å; W1322-H1326 AromaticContact CD1-CD2 3.16Å; W1322-H1326 AromaticContact CD1-CG 3.93Å; W1322-H1326 AromaticContact CD1-NE2 3.52Å; W1322-H1326 HydrophobicContact CD2-CB 4.37Å; W1322-H1326 AromaticContact CE2-CD2 3.88Å; W1322-H1326 AromaticContact CE2-CG 3.85Å; W1322-H1326 AromaticContact CG-CD2 3.89Å; W1322-H1326 HydrophobicContact CH2-CB 4.49Å; W1322-H1326 HydrophobicContact CZ2-CB 3.89Å; W1322-H1326 AromaticContact NE1-CD2 3.15Å; W1322-H1326 PolarHBondContact NE1-CD2 2.83Å; W1322-H1326 AromaticContact NE1-CE1 3.96Å; W1322-H1326 AromaticContact NE1-CG 3.45Å; W1322-H1326 AromaticContact NE1-ND1 3.93Å; W1322-H1326 AromaticContact NE1-NE2 3.48Å; W1322-H1326 PolarHBondContact NE1-NE2 2.84Å; W1322-H1326 WeakPolarHBondContact O-CB 3.29Å; W1322-H1326 PolarHBondContact O-N 3.12Å; W1322-E1329 HydrophobicContact CH2-CB 3.75Å; W1322-E1329 HydrophobicContact CZ2-CB 3.94Å; W1322-W1330 HydrophobicContact CE3-CE3 4.01Å; W1322-W1330 HydrophobicContact CZ3-CB 4.45Å; W1322-W1330 AromaticContact CZ3-CE3 3.85Å; W1322-W1330 HydrophobicContact CZ3-CE3 3.85Å |
| 1323 | A | 82.6 | Confident | 76.1 | Confident | 18 Ų | 18 | 64.7 Ų | 64.7 | 15% | 0.149 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -67.6 | -26.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | L1319 T1320 H1321 S1327 W1330 | L1319-A1323 WeakPolarHBondContact O-CB 3.42Å; L1319-A1323 PolarHBondContact O-N 2.92Å; T1320-A1323 PolarHBondContact O-N 3.21Å; H1321-A1323 VanDerWaalsContact C-N 3.32Å; H1321-A1323 PolarHBondContact O-N 2.96Å; A1323-S1327 WeakPolarHBondContact O-CA 3.46Å; A1323-W1330 HydrophobicContact CB-CB 4.43Å; A1323-W1330 HydrophobicContact CB-CD2 3.5Å; A1323-W1330 VanDerWaalsContact CB-CD2 3.5Å; A1323-W1330 HydrophobicContact CB-CE3 3.7Å; A1323-W1330 HydrophobicContact CB-CG 3.81Å; A1323-W1330 HydrophobicContact CB-CZ2 4.33Å; A1323-W1330 HydrophobicContact CB-CZ3 4.23Å |
| 1324 | I | 78.5 | Confident | 76.4 | Confident | 126 Ų | 126 | 60.6 Ų | 60.6 | 65% | 0.646 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -81.1 | -54.8 | 175.2 | -68.1 | 164 | 0 | 0 | 0 | 110 | T1320 H1321 W1322 H1326 | T1320-I1324 HydrophobicContact CG2-CD1 4.15Å; T1320-I1324 WeakPolarHBondContact O-CG1 3.46Å; T1320-I1324 PolarHBondContact O-N 3.5Å; H1321-I1324 PolarHBondContact O-N 3.24Å; W1322-I1324 VanDerWaalsContact C-N 3.28Å; W1322-I1324 PolarHBondContact O-N 3.06Å; I1324-H1326 PolarHBondContact O-N 3.41Å |
| 1325 | E | 75.1 | Confident | 76.5 | Confident | 121 Ų | 121 | 65.3 Ų | 65.3 | 57% | 0.565 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -61.3 | -45.5 | -178.8 | -71.2 | 176.9 | 127.2 | 0 | 0 | 112.4 | H1321 | H1321-E1325 IonicContact CE1-OE1 3.23Å; H1321-E1325 PolarHBondContact CE1-OE1 3.28Å; H1321-E1325 VanDerWaalsContact CE1-OE1 3.23Å; H1321-E1325 IonicContact CE1-OE2 3.35Å; H1321-E1325 PolarHBondContact CE1-OE2 2.9Å; H1321-E1325 IonicContact CG-OE2 3.89Å; H1321-E1325 IonicContact ND1-OE1 3.5Å; H1321-E1325 IonicContact ND1-OE2 2.72Å; H1321-E1325 PolarHBondContact ND1-OE2 3.41Å; H1321-E1325 PolarHBondContact O-N 3.1Å |
| 1326 | H | 80.7 | Confident | 76.7 | Confident | 51 Ų | 51 | 70 Ų | 70 | 24% | 0.236 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | 40.3 | -175.6 | -52.6 | -103.1 | 0 | 0 | 0 | 111.5 | E1159 W1322 I1324 N1328 E1329 W1330 | E1159-H1326 IonicContact OE1-CE1 3.07Å; E1159-H1326 PolarHBondContact OE1-CE1 3.5Å; E1159-H1326 IonicContact OE1-ND1 2.65Å; E1159-H1326 PolarHBondContact OE1-ND1 3.17Å; W1322-H1326 AromaticContact CD1-CD2 3.16Å; W1322-H1326 AromaticContact CD1-CG 3.93Å; W1322-H1326 AromaticContact CD1-NE2 3.52Å; W1322-H1326 HydrophobicContact CD2-CB 4.37Å; W1322-H1326 AromaticContact CE2-CD2 3.88Å; W1322-H1326 AromaticContact CE2-CG 3.85Å; W1322-H1326 AromaticContact CG-CD2 3.89Å; W1322-H1326 HydrophobicContact CH2-CB 4.49Å; W1322-H1326 HydrophobicContact CZ2-CB 3.89Å; W1322-H1326 AromaticContact NE1-CD2 3.15Å; W1322-H1326 PolarHBondContact NE1-CD2 2.83Å; W1322-H1326 AromaticContact NE1-CE1 3.96Å; W1322-H1326 AromaticContact NE1-CG 3.45Å; W1322-H1326 AromaticContact NE1-ND1 3.93Å; W1322-H1326 AromaticContact NE1-NE2 3.48Å; W1322-H1326 PolarHBondContact NE1-NE2 2.84Å; W1322-H1326 WeakPolarHBondContact O-CB 3.29Å; W1322-H1326 PolarHBondContact O-N 3.12Å; I1324-H1326 PolarHBondContact O-N 3.41Å; H1326-N1328 PolarHBondContact O-N 3.21Å; H1326-E1329 HydrophobicContact CB-CB 4.24Å; H1326-E1329 CarbonylContact O-C 3.57Å; H1326-E1329 WeakPolarHBondContact O-CA 3.4Å; H1326-E1329 PolarHBondContact O-N 3.42Å; H1326-W1330 PolarHBondContact O-N 2.87Å |
| 1327 | S | 79.6 | Confident | 75.4 | Confident | 66 Ų | 66 | 69.3 Ų | 69.3 | 46% | 0.462 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -46.5 | -34.7 | -177 | 59.7 | 0 | 0 | 0 | 0 | 115 | A1323 A1331 | A1323-S1327 WeakPolarHBondContact O-CA 3.46Å; S1327-A1331 WeakPolarHBondContact O-CB 3.18Å; S1327-A1331 PolarHBondContact O-N 3.09Å |
| 1328 | N | 76.8 | Confident | 74.7 | Confident | 120 Ų | 120 | 70.2 Ų | 70.2 | 64% | 0.642 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -69.6 | -41.9 | 174 | -75.7 | -48.4 | 0 | 0 | 0 | 113.7 | H1326 A1331 K1332 | H1326-N1328 PolarHBondContact O-N 3.21Å; N1328-A1331 PolarHBondContact O-N 3.49Å; N1328-K1332 WeakPolarHBondContact O-CG 3.46Å; N1328-K1332 PolarHBondContact O-N 3.46Å |
| 1329 | E | 72.9 | Confident | 73.6 | Confident | 73 Ų | 73 | 72.9 Ų | 72.9 | 34% | 0.341 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -73.8 | -33.1 | 173.8 | -61.2 | -47.5 | 127.1 | 0 | 0 | 111.4 | W1322 H1326 K1332 F1333 | W1322-E1329 HydrophobicContact CH2-CB 3.75Å; W1322-E1329 HydrophobicContact CZ2-CB 3.94Å; H1326-E1329 HydrophobicContact CB-CB 4.24Å; H1326-E1329 CarbonylContact O-C 3.57Å; H1326-E1329 WeakPolarHBondContact O-CA 3.4Å; H1326-E1329 PolarHBondContact O-N 3.42Å; E1329-K1332 PolarHBondContact O-N 2.92Å; E1329-K1332 WeakPolarHBondContact OE1-CD 3.49Å; E1329-K1332 IonicContact OE1-NZ 2.79Å; E1329-K1332 PolarHBondContact OE1-NZ 3.42Å; E1329-K1332 WeakPolarHBondContact OE2-CD 3.39Å; E1329-K1332 IonicContact OE2-NZ 3.52Å; E1329-F1333 WeakPolarHBondContact O-CB 3.29Å; E1329-F1333 PolarHBondContact O-N 2.73Å |
| 1330 | W | 81.3 | Confident | 72.1 | Confident | 44 Ų | 44 | 74.2 Ų | 74.2 | 17% | 0.167 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -59.3 | -46.2 | 168.1 | -176.8 | -108 | 0 | 0 | 0 | 111.2 | L1319 W1322 A1323 H1326 F1333 V1334 I1350 | L1319-W1330 HydrophobicContact CD2-CH2 3.67Å; L1319-W1330 HydrophobicContact CD2-CZ3 3.53Å; W1322-W1330 HydrophobicContact CE3-CE3 4.01Å; W1322-W1330 HydrophobicContact CZ3-CB 4.45Å; W1322-W1330 AromaticContact CZ3-CE3 3.85Å; W1322-W1330 HydrophobicContact CZ3-CE3 3.85Å; A1323-W1330 HydrophobicContact CB-CB 4.43Å; A1323-W1330 HydrophobicContact CB-CD2 3.5Å; A1323-W1330 VanDerWaalsContact CB-CD2 3.5Å; A1323-W1330 HydrophobicContact CB-CE3 3.7Å; A1323-W1330 HydrophobicContact CB-CG 3.81Å; A1323-W1330 HydrophobicContact CB-CZ2 4.33Å; A1323-W1330 HydrophobicContact CB-CZ3 4.23Å; H1326-W1330 PolarHBondContact O-N 2.87Å; W1330-F1333 HydrophobicContact CE3-CD1 4.08Å; W1330-F1333 AromaticContact CZ3-CD1 3.99Å; W1330-F1333 HydrophobicContact CZ3-CD1 3.99Å; W1330-F1333 HydrophobicContact CZ3-CE1 4.14Å; W1330-F1333 PolarHBondContact O-N 3.31Å; W1330-V1334 HydrophobicContact CD2-CG2 4.11Å; W1330-V1334 HydrophobicContact CG-CG2 4.4Å; W1330-V1334 HydrophobicContact CZ2-CG2 3.98Å; W1330-V1334 WeakPolarHBondContact O-CB 3.37Å; W1330-V1334 VanDerWaalsContact O-CG2 3.3Å; W1330-V1334 WeakPolarHBondContact O-CG2 3.45Å; W1330-V1334 PolarHBondContact O-N 3.48Å; W1330-I1350 HydrophobicContact CZ2-CG2 4.44Å |
| 1331 | A | 72.8 | Confident | 70.6 | Confident | 56 Ų | 56 | 81.7 Ų | 81.7 | 46% | 0.463 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63.5 | -42.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | S1327 N1328 K1335 | S1327-A1331 WeakPolarHBondContact O-CB 3.18Å; S1327-A1331 PolarHBondContact O-N 3.09Å; N1328-A1331 PolarHBondContact O-N 3.49Å; A1331-K1335 VanDerWaalsContact O-CB 3.22Å; A1331-K1335 WeakPolarHBondContact O-CB 3.39Å; A1331-K1335 PolarHBondContact O-N 2.87Å |
| 1332 | K | 74.4 | Confident | 69.2 | Low | 125 Ų | 125 | 85.9 Ų | 85.9 | 54% | 0.543 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -61.8 | -42.8 | 172.7 | -72 | 162.6 | 179.1 | 175.6 | 0 | 111.7 | N1328 E1329 K1335 K1336 | N1328-K1332 WeakPolarHBondContact O-CG 3.46Å; N1328-K1332 PolarHBondContact O-N 3.46Å; E1329-K1332 PolarHBondContact O-N 2.92Å; E1329-K1332 WeakPolarHBondContact OE1-CD 3.49Å; E1329-K1332 IonicContact OE1-NZ 2.79Å; E1329-K1332 PolarHBondContact OE1-NZ 3.42Å; E1329-K1332 WeakPolarHBondContact OE2-CD 3.39Å; E1329-K1332 IonicContact OE2-NZ 3.52Å; K1332-K1335 PolarHBondContact O-N 3.27Å; K1332-K1336 WeakPolarHBondContact O-CB 3.36Å; K1332-K1336 PolarHBondContact O-N 2.74Å |
| 1333 | F | 75.9 | Confident | 68 | Low | 15 Ų | 15 | 85.4 Ų | 85.4 | 7% | 0.066 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -65.9 | -46.9 | 178.8 | 176.2 | -107.4 | 0 | 0 | 0 | 111.8 | P1162 E1163 Y1166 E1329 W1330 K1335 K1336 L1337 | P1162-F1333 HydrophobicContact CB-CD2 3.98Å; P1162-F1333 HydrophobicContact CB-CE2 4.22Å; P1162-F1333 HydrophobicContact CB-CG 4.23Å; P1162-F1333 HydrophobicContact CG-CD2 4.2Å; E1163-F1333 HydrophobicContact CG-CE2 4.11Å; Y1166-F1333 HydrophobicContact CD1-CZ 4.15Å; Y1166-F1333 HydrophobicContact CD2-CE1 4.35Å; Y1166-F1333 HydrophobicContact CD2-CZ 4.16Å; Y1166-F1333 HydrophobicContact CG-CE1 4.32Å; Y1166-F1333 AromaticContact CG-CZ 3.7Å; Y1166-F1333 HydrophobicContact CG-CZ 3.7Å; E1329-F1333 WeakPolarHBondContact O-CB 3.29Å; E1329-F1333 PolarHBondContact O-N 2.73Å; W1330-F1333 HydrophobicContact CE3-CD1 4.08Å; W1330-F1333 AromaticContact CZ3-CD1 3.99Å; W1330-F1333 HydrophobicContact CZ3-CD1 3.99Å; W1330-F1333 HydrophobicContact CZ3-CE1 4.14Å; W1330-F1333 PolarHBondContact O-N 3.31Å; F1333-K1335 VanDerWaalsContact C-N 3.35Å; F1333-K1335 PolarHBondContact O-N 2.6Å; F1333-K1336 CarbonylContact O-C 3.46Å; F1333-K1336 WeakPolarHBondContact O-CB 3.39Å; F1333-K1336 PolarHBondContact O-N 3.26Å; F1333-L1337 HydrophobicContact CD1-CD1 4.05Å; F1333-L1337 HydrophobicContact CE1-CD1 3.4Å; F1333-L1337 VanDerWaalsContact CE1-CD1 3.4Å; F1333-L1337 HydrophobicContact CE1-CG 4.12Å; F1333-L1337 HydrophobicContact CE2-CD1 4.39Å; F1333-L1337 HydrophobicContact CE2-CG 4.29Å; F1333-L1337 HydrophobicContact CZ-CD1 3.58Å; F1333-L1337 HydrophobicContact CZ-CD2 4.28Å; F1333-L1337 HydrophobicContact CZ-CG 3.95Å; F1333-L1337 WeakPolarHBondContact O-CG 3.12Å; F1333-L1337 PolarHBondContact O-N 3.39Å |
| 1334 | V | 75.9 | Confident | 66.5 | Low | 40 Ų | 40 | 87 Ų | 87 | 24% | 0.242 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -64.2 | -37.7 | 174.7 | 171.8 | 0 | 0 | 0 | 0 | 111.2 | W1330 L1337 S1338 L1347 | W1330-V1334 HydrophobicContact CD2-CG2 4.11Å; W1330-V1334 HydrophobicContact CG-CG2 4.4Å; W1330-V1334 HydrophobicContact CZ2-CG2 3.98Å; W1330-V1334 WeakPolarHBondContact O-CB 3.37Å; W1330-V1334 VanDerWaalsContact O-CG2 3.3Å; W1330-V1334 WeakPolarHBondContact O-CG2 3.45Å; W1330-V1334 PolarHBondContact O-N 3.48Å; V1334-L1337 CarbonylContact O-C 3.13Å; V1334-L1337 PolarHBondContact O-N 3.01Å; V1334-S1338 WeakPolarHBondContact O-CB 3.36Å; V1334-S1338 PolarHBondContact O-N 2.86Å; V1334-S1338 PolarHBondContact O-OG 2.78Å; V1334-L1347 HydrophobicContact CG1-CD1 4.43Å; V1334-L1347 HydrophobicContact CG1-CD2 4.21Å; V1334-L1347 HydrophobicContact CG2-CD2 4.21Å |
| 1335 | K | 71.4 | Confident | 65.2 | Low | 164 Ų | 164 | 87 Ų | 87 | 71% | 0.713 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -65.7 | -36.5 | 172.9 | -172.6 | 173 | -176.5 | 174.3 | 0 | 112.6 | A1331 K1332 F1333 S1338 S1339 | A1331-K1335 VanDerWaalsContact O-CB 3.22Å; A1331-K1335 WeakPolarHBondContact O-CB 3.39Å; A1331-K1335 PolarHBondContact O-N 2.87Å; K1332-K1335 PolarHBondContact O-N 3.27Å; F1333-K1335 VanDerWaalsContact C-N 3.35Å; F1333-K1335 PolarHBondContact O-N 2.6Å; K1335-S1338 PolarHBondContact O-OG 2.74Å; K1335-S1339 PolarHBondContact O-N 2.77Å |
| 1336 | K | 67.4 | Low | 64.1 | Low | 124 Ų | 124 | 83 Ų | 83 | 54% | 0.539 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -67 | -42 | 171.7 | -165.9 | -177.1 | -174.9 | -174.5 | 0 | 110.8 | E1163 K1332 F1333 S1339 | E1163-K1336 IonicContact OE1-NZ 2.66Å; E1163-K1336 PolarHBondContact OE1-NZ 3.42Å; K1332-K1336 WeakPolarHBondContact O-CB 3.36Å; K1332-K1336 PolarHBondContact O-N 2.74Å; F1333-K1336 CarbonylContact O-C 3.46Å; F1333-K1336 WeakPolarHBondContact O-CB 3.39Å; F1333-K1336 PolarHBondContact O-N 3.26Å; K1336-S1339 PolarHBondContact O-N 2.89Å; K1336-S1339 PolarHBondContact O-OG 3.46Å |
| 1337 | L | 49.3 | Very low | 63 | Low | 21 Ų | 21 | 81.7 Ų | 81.7 | 11% | 0.11 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -65.7 | -43.1 | 175.2 | -76.8 | -177.6 | 0 | 0 | 0 | 112.7 | Y1166 F1333 V1334 S1339 S1340 S1343 L1347 | Y1166-L1337 HydrophobicContact CD1-CD2 4.38Å; Y1166-L1337 HydrophobicContact CD2-CD1 4.36Å; Y1166-L1337 HydrophobicContact CE1-CD2 3.87Å; Y1166-L1337 HydrophobicContact CE2-CD1 4.06Å; F1333-L1337 HydrophobicContact CD1-CD1 4.05Å; F1333-L1337 HydrophobicContact CE1-CD1 3.4Å; F1333-L1337 VanDerWaalsContact CE1-CD1 3.4Å; F1333-L1337 HydrophobicContact CE1-CG 4.12Å; F1333-L1337 HydrophobicContact CE2-CD1 4.39Å; F1333-L1337 HydrophobicContact CE2-CG 4.29Å; F1333-L1337 HydrophobicContact CZ-CD1 3.58Å; F1333-L1337 HydrophobicContact CZ-CD2 4.28Å; F1333-L1337 HydrophobicContact CZ-CG 3.95Å; F1333-L1337 WeakPolarHBondContact O-CG 3.12Å; F1333-L1337 PolarHBondContact O-N 3.39Å; V1334-L1337 CarbonylContact O-C 3.13Å; V1334-L1337 PolarHBondContact O-N 3.01Å; L1337-S1339 PolarHBondContact O-N 3.06Å; L1337-S1340 CarbonylContact O-C 3.58Å; L1337-S1340 WeakPolarHBondContact O-CA 3.47Å; L1337-S1340 VanDerWaalsContact O-CB 3.3Å; L1337-S1340 WeakPolarHBondContact O-CB 3.49Å; L1337-S1340 PolarHBondContact O-N 3.41Å; L1337-S1343 WeakPolarHBondContact O-CB 3.44Å; L1337-S1343 PolarHBondContact O-OG 2.77Å; L1337-L1347 HydrophobicContact CB-CD1 4.07Å; L1337-L1347 HydrophobicContact CD1-CD2 4.06Å |
| 1338 | S | 59.5 | Low | 62.2 | Low | 81 Ų | 81 | 82 Ų | 82 | 57% | 0.566 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -70.6 | -18 | -179.5 | 61 | 0 | 0 | 0 | 0 | 113.5 | V1334 K1335 S1340 | V1334-S1338 WeakPolarHBondContact O-CB 3.36Å; V1334-S1338 PolarHBondContact O-N 2.86Å; V1334-S1338 PolarHBondContact O-OG 2.78Å; K1335-S1338 PolarHBondContact O-OG 2.74Å; S1338-S1340 PolarHBondContact O-N 3.39Å |
| 1339 | S | 53.2 | Low | 61 | Low | 102 Ų | 102 | 82 Ų | 82 | 71% | 0.713 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -11.9 | 164 | 81.7 | 0 | 0 | 0 | 0 | 114 | K1335 K1336 L1337 | K1335-S1339 PolarHBondContact O-N 2.77Å; K1336-S1339 PolarHBondContact O-N 2.89Å; K1336-S1339 PolarHBondContact O-OG 3.46Å; L1337-S1339 PolarHBondContact O-N 3.06Å |
| 1340 | S | 50.4 | Low | 60.3 | Low | 49 Ų | 49 | 80.8 Ų | 80.8 | 34% | 0.343 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -105.5 | 112.3 | 174.3 | 152.7 | 0 | 0 | 0 | 0 | 110.1 | L1337 S1338 R1342 S1343 | L1337-S1340 CarbonylContact O-C 3.58Å; L1337-S1340 WeakPolarHBondContact O-CA 3.47Å; L1337-S1340 VanDerWaalsContact O-CB 3.3Å; L1337-S1340 WeakPolarHBondContact O-CB 3.49Å; L1337-S1340 PolarHBondContact O-N 3.41Å; S1338-S1340 PolarHBondContact O-N 3.39Å; S1340-R1342 PolarHBondContact O-N 3.45Å; S1340-S1343 VanDerWaalsContact CB-OG 3.3Å; S1340-S1343 WeakPolarHBondContact CB-OG 3.14Å; S1340-S1343 WeakPolarHBondContact O-CB 3.21Å; S1340-S1343 PolarHBondContact O-N 2.9Å; S1340-S1343 PolarHBondContact O-OG 2.82Å; S1340-S1343 PolarHBondContact OG-OG 3.48Å |
| 1341 | E | 46.2 | Very low | 59 | Low | 196 Ų | 196 | 84.7 Ų | 84.7 | 92% | 0.916 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -19.9 | 176.9 | -163.8 | 175.1 | -133.3 | 0 | 0 | 113.7 | ||
| 1342 | R | 48.4 | Very low | 58.3 | Low | 199 Ų | 199 | 86.8 Ų | 86.8 | 75% | 0.751 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -6 | 177.6 | -66.1 | -178.9 | 177.4 | 175.6 | -2 | 114.8 | S1340 | S1340-R1342 PolarHBondContact O-N 3.45Š|
| 1343 | S | 54.9 | Low | 57.2 | Low | 3 Ų | 3 | 83.7 Ų | 83.7 | 2% | 0.021 | 44% | 0.436 | C | S | . | . | S | Bend | trans | -93.6 | -19.9 | -175.6 | -37.2 | 0 | 0 | 0 | 0 | 112.5 | L1337 S1340 D1345 V1346 L1347 | L1337-S1343 WeakPolarHBondContact O-CB 3.44Å; L1337-S1343 PolarHBondContact O-OG 2.77Å; S1340-S1343 VanDerWaalsContact CB-OG 3.3Å; S1340-S1343 WeakPolarHBondContact CB-OG 3.14Å; S1340-S1343 WeakPolarHBondContact O-CB 3.21Å; S1340-S1343 PolarHBondContact O-N 2.9Å; S1340-S1343 PolarHBondContact O-OG 2.82Å; S1340-S1343 PolarHBondContact OG-OG 3.48Å; S1343-D1345 PolarHBondContact O-N 3.31Å; S1343-V1346 PolarHBondContact O-N 2.79Å; S1343-V1346 VanDerWaalsContact O-N 3.17Å; S1343-L1347 WeakPolarHBondContact O-CB 3.45Å; S1343-L1347 WeakPolarHBondContact O-CG 3.23Å; S1343-L1347 PolarHBondContact O-N 3.16Å |
| 1344 | A | 51.6 | Low | 56.1 | Low | 52 Ų | 52 | 85.9 Ų | 85.9 | 43% | 0.43 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -57 | -49.7 | -171.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | V1346 L1347 T1348 | A1344-V1346 VanDerWaalsContact C-N 3.26Å; A1344-V1346 PolarHBondContact O-N 3.16Å; A1344-L1347 PolarHBondContact O-N 3.08Å; A1344-T1348 WeakPolarHBondContact O-CG2 3.22Å; A1344-T1348 PolarHBondContact O-N 3.01Å; A1344-T1348 PolarHBondContact O-OG1 3.02Å |
| 1345 | D | 52.1 | Low | 55.3 | Low | 126 Ų | 126 | 87 Ų | 87 | 67% | 0.674 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -63.8 | -29.3 | -179.5 | -59.1 | -19.6 | 0 | 0 | 0 | 113.3 | S1343 T1348 Q1349 | S1343-D1345 PolarHBondContact O-N 3.31Å; D1345-T1348 WeakPolarHBondContact CA-OG1 3.16Å; D1345-T1348 PolarHBondContact O-OG1 2.77Å; D1345-T1348 VanDerWaalsContact O-OG1 3.06Å; D1345-Q1349 WeakPolarHBondContact O-CG 3.48Å; D1345-Q1349 PolarHBondContact O-N 3.16Å; D1345-Q1349 VanDerWaalsContact O-N 3.12Å |
| 1346 | V | 51.6 | Low | 54.4 | Low | 37 Ų | 37 | 85.5 Ų | 85.5 | 22% | 0.224 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -85.2 | -35.5 | 178.6 | -177.6 | 0 | 0 | 0 | 0 | 110.7 | Y1166 L1170 S1343 A1344 Q1349 I1350 | Y1166-V1346 HydrophobicContact CE2-CG1 3.82Å; L1170-V1346 HydrophobicContact CD2-CB 4.47Å; L1170-V1346 HydrophobicContact CD2-CG1 3.83Å; L1170-V1346 HydrophobicContact CD2-CG2 3.91Å; S1343-V1346 PolarHBondContact O-N 2.79Å; S1343-V1346 VanDerWaalsContact O-N 3.17Å; A1344-V1346 VanDerWaalsContact C-N 3.26Å; A1344-V1346 PolarHBondContact O-N 3.16Å; V1346-Q1349 PolarHBondContact O-N 3.37Å; V1346-I1350 HydrophobicContact CG1-CD1 4.07Å; V1346-I1350 WeakPolarHBondContact O-CB 3.41Å; V1346-I1350 VanDerWaalsContact O-CG1 3.3Å; V1346-I1350 WeakPolarHBondContact O-CG1 3.41Å; V1346-I1350 PolarHBondContact O-N 2.99Å |
| 1347 | L | 58.2 | Low | 53.3 | Low | 22 Ų | 22 | 84.4 Ų | 84.4 | 12% | 0.115 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -64.1 | -40.5 | 170.1 | -73.6 | 172.5 | 0 | 0 | 0 | 110.7 | V1334 L1337 S1343 A1344 I1350 Q1351 | V1334-L1347 HydrophobicContact CG1-CD1 4.43Å; V1334-L1347 HydrophobicContact CG1-CD2 4.21Å; V1334-L1347 HydrophobicContact CG2-CD2 4.21Å; L1337-L1347 HydrophobicContact CB-CD1 4.07Å; L1337-L1347 HydrophobicContact CD1-CD2 4.06Å; S1343-L1347 WeakPolarHBondContact O-CB 3.45Å; S1343-L1347 WeakPolarHBondContact O-CG 3.23Å; S1343-L1347 PolarHBondContact O-N 3.16Å; A1344-L1347 PolarHBondContact O-N 3.08Å; L1347-I1350 PolarHBondContact O-N 3.21Å; L1347-Q1351 WeakPolarHBondContact O-CB 3.09Å; L1347-Q1351 PolarHBondContact O-N 2.79Å |
| 1348 | T | 62.1 | Low | 52.9 | Low | 74 Ų | 74 | 89.5 Ų | 89.5 | 45% | 0.454 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -68.3 | -35.6 | 173.5 | 56.8 | 0 | 0 | 0 | 0 | 112.2 | A1344 D1345 Q1351 L1352 | A1344-T1348 WeakPolarHBondContact O-CG2 3.22Å; A1344-T1348 PolarHBondContact O-N 3.01Å; A1344-T1348 PolarHBondContact O-OG1 3.02Å; D1345-T1348 WeakPolarHBondContact CA-OG1 3.16Å; D1345-T1348 PolarHBondContact O-OG1 2.77Å; D1345-T1348 VanDerWaalsContact O-OG1 3.06Å; T1348-Q1351 PolarHBondContact O-N 3.08Å; T1348-L1352 WeakPolarHBondContact O-CB 3.48Å; T1348-L1352 WeakPolarHBondContact O-CD1 3.5Å; T1348-L1352 WeakPolarHBondContact O-CG 3.48Å; T1348-L1352 PolarHBondContact O-N 2.82Å |
| 1349 | Q | 52.6 | Low | 51.9 | Low | 120 Ų | 120 | 89 Ų | 89 | 56% | 0.561 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -60.5 | -49.9 | 169.8 | -73.4 | -94.5 | -37.3 | 0 | 0 | 112 | D1345 V1346 Q1351 L1352 T1353 | D1345-Q1349 WeakPolarHBondContact O-CG 3.48Å; D1345-Q1349 PolarHBondContact O-N 3.16Å; D1345-Q1349 VanDerWaalsContact O-N 3.12Å; V1346-Q1349 PolarHBondContact O-N 3.37Å; Q1349-Q1351 VanDerWaalsContact C-N 3.35Å; Q1349-Q1351 PolarHBondContact O-N 3.36Å; Q1349-L1352 PolarHBondContact O-N 3.23Å; Q1349-T1353 PolarHBondContact O-N 2.75Å; Q1349-T1353 PolarHBondContact O-OG1 2.95Å |
| 1350 | I | 56.7 | Low | 51.5 | Low | 46 Ų | 46 | 88.9 Ų | 88.9 | 24% | 0.236 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -62 | -43.6 | 177.5 | -69.6 | 166.5 | 0 | 0 | 0 | 110.6 | Y1166 W1330 V1346 L1347 T1353 L1354 | Y1166-I1350 HydrophobicContact CE2-CD1 4.36Å; W1330-I1350 HydrophobicContact CZ2-CG2 4.44Å; V1346-I1350 HydrophobicContact CG1-CD1 4.07Å; V1346-I1350 WeakPolarHBondContact O-CB 3.41Å; V1346-I1350 VanDerWaalsContact O-CG1 3.3Å; V1346-I1350 WeakPolarHBondContact O-CG1 3.41Å; V1346-I1350 PolarHBondContact O-N 2.99Å; L1347-I1350 PolarHBondContact O-N 3.21Å; I1350-T1353 CarbonylContact O-C 3.57Å; I1350-T1353 WeakPolarHBondContact O-CB 3.33Å; I1350-T1353 PolarHBondContact O-N 3.38Å; I1350-T1353 VanDerWaalsContact O-N 3.15Å; I1350-L1354 HydrophobicContact CG2-CD1 4.01Å; I1350-L1354 HydrophobicContact CG2-CG 4.41Å; I1350-L1354 WeakPolarHBondContact O-CG 3.49Å; I1350-L1354 PolarHBondContact O-N 3.42Å |
| 1351 | Q | 54.2 | Low | 51.3 | Low | 126 Ų | 126 | 94.2 Ų | 94.2 | 59% | 0.589 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -71.3 | -32.2 | -178.6 | -166.3 | 164 | -8.1 | 0 | 0 | 112 | L1347 T1348 Q1349 L1354 S1355 | L1347-Q1351 WeakPolarHBondContact O-CB 3.09Å; L1347-Q1351 PolarHBondContact O-N 2.79Å; T1348-Q1351 PolarHBondContact O-N 3.08Å; Q1349-Q1351 VanDerWaalsContact C-N 3.35Å; Q1349-Q1351 PolarHBondContact O-N 3.36Å; Q1351-L1354 PolarHBondContact O-N 3.1Å; Q1351-S1355 WeakPolarHBondContact O-CB 3.37Å; Q1351-S1355 PolarHBondContact O-N 3.39Å; Q1351-S1355 PolarHBondContact O-OG 3.34Å; Q1351-S1355 VanDerWaalsContact O-OG 3.06Å |
| 1352 | L | 57.9 | Low | 51.3 | Low | 101 Ų | 101 | 88.2 Ų | 88.2 | 53% | 0.529 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -66.1 | -37 | 167.1 | -76.6 | 166.7 | 0 | 0 | 0 | 112 | T1348 Q1349 K1356 | T1348-L1352 WeakPolarHBondContact O-CB 3.48Å; T1348-L1352 WeakPolarHBondContact O-CD1 3.5Å; T1348-L1352 WeakPolarHBondContact O-CG 3.48Å; T1348-L1352 PolarHBondContact O-N 2.82Å; Q1349-L1352 PolarHBondContact O-N 3.23Å; L1352-K1356 WeakPolarHBondContact O-CB 3.47Å; L1352-K1356 VanDerWaalsContact O-CG 3.27Å; L1352-K1356 WeakPolarHBondContact O-CG 3.22Å; L1352-K1356 PolarHBondContact O-N 2.73Å |
| 1353 | T | 52.5 | Low | 51.2 | Low | 59 Ų | 59 | 83.5 Ų | 83.5 | 36% | 0.362 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -69.2 | -40.2 | 173.6 | -65 | 0 | 0 | 0 | 0 | 111.7 | Q1349 I1350 K1356 N1357 | Q1349-T1353 PolarHBondContact O-N 2.75Å; Q1349-T1353 PolarHBondContact O-OG1 2.95Å; I1350-T1353 CarbonylContact O-C 3.57Å; I1350-T1353 WeakPolarHBondContact O-CB 3.33Å; I1350-T1353 PolarHBondContact O-N 3.38Å; I1350-T1353 VanDerWaalsContact O-N 3.15Å; T1353-K1356 PolarHBondContact O-N 3.26Å; T1353-N1357 WeakPolarHBondContact O-CB 3.23Å; T1353-N1357 VanDerWaalsContact O-CG 3.24Å; T1353-N1357 PolarHBondContact O-N 3.28Å; T1353-N1357 PolarHBondContact O-OD1 2.87Å |
| 1354 | L | 51.1 | Low | 50.7 | Low | 61 Ų | 61 | 87.8 Ų | 87.8 | 32% | 0.319 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.4 | -42.4 | 172.7 | -69 | 170.1 | 0 | 0 | 0 | 111.2 | T1320 I1350 Q1351 K1356 N1357 N1358 | T1320-L1354 HydrophobicContact CG2-CD2 4.46Å; I1350-L1354 HydrophobicContact CG2-CD1 4.01Å; I1350-L1354 HydrophobicContact CG2-CG 4.41Å; I1350-L1354 WeakPolarHBondContact O-CG 3.49Å; I1350-L1354 PolarHBondContact O-N 3.42Å; Q1351-L1354 PolarHBondContact O-N 3.1Å; L1354-K1356 PolarHBondContact O-N 3.09Å; L1354-N1357 PolarHBondContact O-N 3.08Å; L1354-N1358 WeakPolarHBondContact O-CB 3.3Å; L1354-N1358 PolarHBondContact O-N 3.16Å; L1354-N1358 PolarHBondContact O-OD1 3.06Å |
| 1355 | S | 60.2 | Low | 50.4 | Low | 65 Ų | 65 | 91.2 Ų | 91.2 | 46% | 0.455 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60 | -42.5 | 172 | -68.7 | 0 | 0 | 0 | 0 | 112.2 | Q1351 N1358 Q1359 | Q1351-S1355 WeakPolarHBondContact O-CB 3.37Å; Q1351-S1355 PolarHBondContact O-N 3.39Å; Q1351-S1355 PolarHBondContact O-OG 3.34Å; Q1351-S1355 VanDerWaalsContact O-OG 3.06Å; S1355-N1358 CarbonylContact O-C 3.57Å; S1355-N1358 PolarHBondContact O-N 3.26Å; S1355-Q1359 WeakPolarHBondContact O-CG 3.38Å; S1355-Q1359 PolarHBondContact O-N 2.84Å |
| 1356 | K | 51.8 | Low | 50.1 | Low | 131 Ų | 131 | 93.9 Ų | 93.9 | 57% | 0.57 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -66.1 | -33.7 | 175.5 | -77.4 | 174.4 | 177.5 | -172.5 | 0 | 113.6 | L1352 T1353 L1354 | L1352-K1356 WeakPolarHBondContact O-CB 3.47Å; L1352-K1356 VanDerWaalsContact O-CG 3.27Å; L1352-K1356 WeakPolarHBondContact O-CG 3.22Å; L1352-K1356 PolarHBondContact O-N 2.73Å; T1353-K1356 PolarHBondContact O-N 3.26Å; L1354-K1356 PolarHBondContact O-N 3.09Å |
| 1357 | N | 44.8 | Very low | 49.4 | Very low | 102 Ų | 102 | 97.8 Ų | 97.8 | 55% | 0.545 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -75.3 | -27.2 | 174.8 | -69 | -3.1 | 0 | 0 | 0 | 112.1 | T1353 L1354 | T1353-N1357 WeakPolarHBondContact O-CB 3.23Å; T1353-N1357 VanDerWaalsContact O-CG 3.24Å; T1353-N1357 PolarHBondContact O-N 3.28Å; T1353-N1357 PolarHBondContact O-OD1 2.87Å; L1354-N1357 PolarHBondContact O-N 3.08Å |
| 1358 | N | 41.5 | Very low | 48.5 | Very low | 128 Ų | 128 | 104.6 Ų | 104.6 | 68% | 0.684 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -84.5 | -16.1 | 175.1 | -68.9 | 1.3 | 0 | 0 | 0 | 113.1 | L1354 S1355 T1360 | L1354-N1358 WeakPolarHBondContact O-CB 3.3Å; L1354-N1358 PolarHBondContact O-N 3.16Å; L1354-N1358 PolarHBondContact O-OD1 3.06Å; S1355-N1358 CarbonylContact O-C 3.57Å; S1355-N1358 PolarHBondContact O-N 3.26Å; N1358-T1360 PolarHBondContact O-N 3.46Å |
| 1359 | Q | 37.9 | Very low | 47.5 | Very low | 70 Ų | 70 | 109.1 Ų | 109.1 | 33% | 0.327 | 55% | 0.548 | S | S | . | . | S | Bend | trans | -67.8 | 114.8 | 167.6 | -77.3 | -174.4 | -67.6 | 0 | 0 | 109 | S1355 E1363 | S1355-Q1359 WeakPolarHBondContact O-CG 3.38Å; S1355-Q1359 PolarHBondContact O-N 2.84Å; Q1359-E1363 PolarHBondContact NE2-OE2 3.34Å |
| 1360 | T | 45.5 | Very low | 46.9 | Very low | 100 Ų | 100 | 108.6 Ų | 108.6 | 61% | 0.613 | 55% | 0.553 | S | S | * | * | trans | -61.3 | 148.1 | -179.9 | 69.1 | 0 | 0 | 0 | 0 | 110.3 | N1358 A1362 E1363 | N1358-T1360 PolarHBondContact O-N 3.46Å; T1360-A1362 PolarHBondContact O-N 3.17Å; T1360-E1363 PolarHBondContact O-N 2.71Å | ||
| 1361 | K | 46.1 | Very low | 45.7 | Very low | 160 Ų | 160 | 113 Ų | 113 | 70% | 0.696 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -49.6 | -32.7 | -174.1 | -176.1 | -179.7 | 170 | -169 | 0 | 114 | E1363 L1364 E1365 | K1361-E1363 VanDerWaalsContact C-N 3.26Å; K1361-E1363 PolarHBondContact O-N 3.22Å; K1361-L1364 PolarHBondContact O-N 3.37Å; K1361-E1365 WeakPolarHBondContact CE-OE1 3.49Å; K1361-E1365 IonicContact NZ-OE1 3.84Å; K1361-E1365 PolarHBondContact O-N 3.47Å |
| 1362 | A | 46.6 | Very low | 44.8 | Very low | 70 Ų | 70 | 116.1 Ų | 116.1 | 58% | 0.579 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -62.8 | -24.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | T1360 | T1360-A1362 PolarHBondContact O-N 3.17Å |
| 1363 | E | 45.8 | Very low | 43.4 | Very low | 100 Ų | 100 | 118.8 Ų | 118.8 | 47% | 0.467 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -87 | -30.4 | -179.1 | -163.1 | 165.4 | -123.3 | 0 | 0 | 112.5 | Q1359 T1360 K1361 K1366 Q1367 | Q1359-E1363 PolarHBondContact NE2-OE2 3.34Å; T1360-E1363 PolarHBondContact O-N 2.71Å; K1361-E1363 VanDerWaalsContact C-N 3.26Å; K1361-E1363 PolarHBondContact O-N 3.22Å; E1363-K1366 PolarHBondContact O-N 2.8Å; E1363-Q1367 PolarHBondContact O-N 3.06Å |
| 1364 | L | 44.6 | Very low | 42.4 | Very low | 94 Ų | 94 | 124.3 Ų | 124.3 | 49% | 0.492 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -66.7 | -39.8 | 173.2 | -76.4 | 166.9 | 0 | 0 | 0 | 112.2 | K1361 K1366 Q1367 | K1361-L1364 PolarHBondContact O-N 3.37Å; L1364-K1366 PolarHBondContact O-N 3.32Å; L1364-Q1367 PolarHBondContact O-N 3.47Å |
| 1365 | E | 45.4 | Very low | 41.4 | Very low | 124 Ų | 124 | 129.8 Ų | 129.8 | 58% | 0.579 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -64 | -28.5 | 176 | -70.8 | 174 | -178.8 | 0 | 0 | 111.6 | K1361 | K1361-E1365 WeakPolarHBondContact CE-OE1 3.49Å; K1361-E1365 IonicContact NZ-OE1 3.84Å; K1361-E1365 PolarHBondContact O-N 3.47Å |
| 1366 | K | 45.4 | Very low | 39.7 | Very low | 181 Ų | 181 | 133.9 Ų | 133.9 | 79% | 0.787 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -80.8 | -17.7 | -179.2 | -126.5 | 177.6 | -174 | 177.6 | 0 | 115.4 | E1363 L1364 | E1363-K1366 PolarHBondContact O-N 2.8Å; L1364-K1366 PolarHBondContact O-N 3.32Å |
| 1367 | Q | 37.3 | Very low | 38.9 | Very low | 119 Ų | 119 | 133.2 Ų | 133.2 | 56% | 0.556 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -99.2 | -5.3 | 177.1 | -66.6 | -156.6 | -0.1 | 0 | 0 | 114.1 | E1363 L1364 E1369 T1370 | E1363-Q1367 PolarHBondContact O-N 3.06Å; L1364-Q1367 PolarHBondContact O-N 3.47Å; Q1367-E1369 VanDerWaalsContact C-N 3.28Å; Q1367-E1369 PolarHBondContact O-N 3.43Å; Q1367-T1370 PolarHBondContact O-OG1 3.07Å |
| 1368 | H | 38.7 | Very low | 38.3 | Very low | 165 Ų | 165 | 136.4 Ų | 136.4 | 76% | 0.764 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | -16.6 | -174.5 | -128.7 | -72.6 | 0 | 0 | 0 | 114.3 | ||
| 1369 | E | 40 | Very low | 37.7 | Very low | 169 Ų | 169 | 136.9 Ų | 136.9 | 79% | 0.79 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | -26.1 | -178.8 | -136.3 | 63.1 | -125.8 | 0 | 0 | 114 | Q1367 | Q1367-E1369 VanDerWaalsContact C-N 3.28Å; Q1367-E1369 PolarHBondContact O-N 3.43Å |
| 1370 | T | 41.3 | Very low | 37.5 | Very low | 109 Ų | 109 | 139.1 Ų | 139.1 | 67% | 0.669 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -97.3 | -11.6 | -163.5 | 51.3 | 0 | 0 | 0 | 0 | 115.4 | Q1367 | Q1367-T1370 PolarHBondContact O-OG1 3.07Š|
| 1371 | N | 32.2 | Very low | 36.8 | Very low | 138 Ų | 138 | 141.9 Ų | 141.9 | 74% | 0.738 | 72% | 0.724 | S | S | * | * | trans | -102.7 | 29.4 | -169.7 | -95.2 | -46 | 0 | 0 | 0 | 115.5 | ||||
| 1372 | K | 33.7 | Very low | 36 | Very low | 192 Ų | 192 | 141.4 Ų | 141.4 | 84% | 0.835 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -89 | -9.9 | -178.2 | -149.6 | 172.7 | -176 | 178.5 | 0 | 115.4 | ||
| 1373 | N | 29.7 | Very low | 35.1 | Very low | 158 Ų | 158 | 146.6 Ų | 146.6 | 85% | 0.845 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -129.2 | 57.9 | -166.9 | -76.7 | -35 | 0 | 0 | 0 | 115.4 | ||
| 1374 | L | 31.8 | Very low | 34.4 | Very low | 174 Ų | 174 | 146.5 Ų | 146.5 | 91% | 0.911 | 75% | 0.745 | S | S | * | * | trans | -154.7 | 65.7 | 157.9 | -157.2 | 69.8 | 0 | 0 | 0 | 114.1 | ||||
| 1375 | L | 28.5 | Very low | 34 | Very low | 176 Ų | 176 | 150 Ų | 150 | 92% | 0.921 | 76% | 0.763 | S | S | * | * | trans | -125.9 | 58.6 | 175.6 | -166.1 | 72.4 | 0 | 0 | 0 | 112.7 | ||||
| 1376 | E | 26 | Very low | 33.7 | Very low | 152 Ų | 152 | 151 Ų | 151 | 71% | 0.71 | 77% | 0.766 | S | S | * | * | trans | -145 | 76.6 | 164.9 | -139.1 | 177.4 | -165.4 | 0 | 0 | 114.8 | K1378 | E1376-K1378 IonicContact OE1-NZ 2.62Å; E1376-K1378 PolarHBondContact OE1-NZ 2.85Å | ||
| 1377 | S | 34.8 | Very low | 33.1 | Very low | 116 Ų | 116 | 148.2 Ų | 148.2 | 81% | 0.811 | 76% | 0.764 | S | S | * | * | trans | -128.8 | 101.4 | 154.9 | 50.4 | 0 | 0 | 0 | 0 | 109.8 | D1379 | S1377-D1379 VanDerWaalsContact C-N 3.34Å; S1377-D1379 PolarHBondContact O-N 2.91Å | ||
| 1378 | K | 31.3 | Very low | 33 | Very low | 169 Ų | 169 | 147.2 Ų | 147.2 | 74% | 0.735 | 77% | 0.766 | S | S | * | * | trans | -83.2 | 73 | -177.4 | -74.7 | 165.2 | 175.7 | 145.3 | 0 | 111.3 | E1376 | E1376-K1378 IonicContact OE1-NZ 2.62Å; E1376-K1378 PolarHBondContact OE1-NZ 2.85Å | ||
| 1379 | D | 29.6 | Very low | 33.3 | Very low | 139 Ų | 139 | 145 Ų | 145 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -158.4 | 122.2 | 152.4 | -110.6 | -29.7 | 0 | 0 | 0 | 110.8 | S1377 I1381 | S1377-D1379 VanDerWaalsContact C-N 3.34Å; S1377-D1379 PolarHBondContact O-N 2.91Å; D1379-I1381 PolarHBondContact O-N 2.94Å |
| 1380 | P | 33.6 | Very low | 33.6 | Very low | 117 Ų | 117 | 147.3 Ų | 147.3 | 76% | 0.76 | 77% | 0.767 | S | S | * | * | trans | -69.9 | 123 | -178.4 | 27.7 | -33.3 | 0 | 0 | 0 | 110.8 | N1382 | P1380-N1382 PolarHBondContact O-N 3.31Š| ||
| 1381 | I | 31.1 | Very low | 34 | Very low | 158 Ų | 158 | 146.8 Ų | 146.8 | 81% | 0.81 | 76% | 0.761 | S | S | * | * | trans | -72.2 | 68.2 | -176 | -51 | 177.2 | 0 | 0 | 0 | 111.3 | D1379 Y1383 | D1379-I1381 PolarHBondContact O-N 2.94Å; I1381-Y1383 PolarHBondContact O-N 3.49Å | ||
| 1382 | N | 29.4 | Very low | 35.1 | Very low | 150 Ų | 150 | 148.6 Ų | 148.6 | 80% | 0.802 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | 47.4 | 174.8 | -167.6 | 0.7 | 0 | 0 | 0 | 111.2 | P1380 | P1380-N1382 PolarHBondContact O-N 3.31Š|
| 1383 | Y | 27.5 | Very low | 37.6 | Very low | 179 Ų | 179 | 148.3 Ų | 148.3 | 70% | 0.702 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -146.7 | 25.9 | -171.5 | -111.2 | -73.7 | 0 | 0 | 0 | 116.3 | I1381 K1386 | I1381-Y1383 PolarHBondContact O-N 3.49Å; Y1383-K1386 HydrophobicContact CE1-CD 4.26Å; Y1383-K1386 PolarHBondContact OH-NZ 3.42Å |
| 1384 | S | 31 | Very low | 40.5 | Very low | 98 Ų | 98 | 146.9 Ų | 146.9 | 69% | 0.685 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -139.1 | 46.5 | 168.7 | -142.7 | 0 | 0 | 0 | 0 | 116.2 | ||
| 1385 | L | 36.9 | Very low | 43.5 | Very low | 167 Ų | 167 | 141.4 Ų | 141.4 | 87% | 0.874 | 72% | 0.718 | S | S | * | * | trans | -125.7 | 42.6 | 160.3 | -78.1 | 176.1 | 0 | 0 | 0 | 111.2 | ||||
| 1386 | K | 37.2 | Very low | 46.7 | Very low | 145 Ų | 145 | 136.1 Ų | 136.1 | 63% | 0.63 | 70% | 0.695 | S | S | * | * | trans | -106.2 | 14.3 | -175.1 | -135.6 | 169.1 | -171 | 169.9 | 0 | 113.9 | Y1383 | Y1383-K1386 HydrophobicContact CE1-CD 4.26Å; Y1383-K1386 PolarHBondContact OH-NZ 3.42Å | ||
| 1387 | T | 33.9 | Very low | 50.1 | Low | 123 Ų | 123 | 128.9 Ų | 128.9 | 76% | 0.755 | 66% | 0.661 | S | S | * | * | trans | -108.8 | 10.5 | -170.6 | 41.9 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1388 | T | 35.2 | Very low | 52.9 | Low | 98 Ų | 98 | 128 Ų | 128 | 60% | 0.601 | 65% | 0.654 | S | S | * | * | trans | -110.2 | 47.4 | 172.7 | 50.9 | 0 | 0 | 0 | 0 | 112.9 | Y1390 | T1388-Y1390 PolarHBondContact O-N 2.89Š| ||
| 1389 | T | 43.9 | Very low | 55.9 | Low | 117 Ų | 117 | 124.2 Ų | 124.2 | 72% | 0.718 | 65% | 0.645 | S | S | * | * | trans | -72.9 | 83.1 | 171.1 | 47.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1390 | Y | 46.9 | Very low | 59.1 | Low | 218 Ų | 218 | 119.6 Ų | 119.6 | 86% | 0.855 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -170.1 | 137.5 | 137.9 | -97 | -61.9 | 0 | 0 | 0 | 113.1 | T1388 | T1388-Y1390 PolarHBondContact O-N 2.89Š|
| 1391 | D | 50 | Low | 61.9 | Low | 99 Ų | 99 | 120.1 Ų | 120.1 | 53% | 0.529 | 62% | 0.619 | S | S | . | * | trans | 57.7 | 40.5 | 175.6 | -142.7 | 38.2 | 0 | 0 | 0 | 119.6 | R1393 | D1391-R1393 PolarHBondContact O-N 3.07Å; D1391-R1393 WeakPolarHBondContact OD1-CB 3.39Å; D1391-R1393 WeakPolarHBondContact OD1-CD 3.48Å | ||
| 1392 | M | 56.1 | Low | 65 | Low | 176 Ų | 176 | 115.9 Ų | 115.9 | 87% | 0.867 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61 | 30.2 | 160 | -78.8 | -78.8 | -78.2 | 0 | 0 | 114.7 | ||
| 1393 | R | 84.9 | Confident | 68.1 | Low | 186 Ų | 186 | 116.9 Ų | 116.9 | 70% | 0.702 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | -13.1 | -177 | -85.8 | -174.7 | 165.8 | 158.6 | 0.5 | 115 | D1391 | D1391-R1393 PolarHBondContact O-N 3.07Å; D1391-R1393 WeakPolarHBondContact OD1-CB 3.39Å; D1391-R1393 WeakPolarHBondContact OD1-CD 3.48Å |
| 1394 | Y | 90.8 | Very high | 71.4 | Confident | 127 Ų | 127 | 110.3 Ų | 110.3 | 50% | 0.498 | 56% | 0.563 | S | S | . | * | trans | -135 | 138.2 | -172.8 | -58.2 | -82.5 | 0 | 0 | 0 | 110.8 | F1404 | Y1394-F1404 CarbonylContact C-O 3.58Å; Y1394-F1404 VanDerWaalsContact CA-O 3.3Å; Y1394-F1404 WeakPolarHBondContact CA-O 3.38Å | ||
| 1395 | V | 94.5 | Very high | 74.5 | Confident | 59 Ų | 59 | 108.4 Ų | 108.4 | 36% | 0.358 | 56% | 0.559 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -112.5 | 129.7 | 168.8 | -156.3 | 0 | 0 | 0 | 0 | 108.4 | F1404 L1410 | V1395-F1404 PolarHBondContact N-O 3.01Å; V1395-F1404 PolarHBondContact O-N 3.24Å; V1395-L1410 HydrophobicContact CB-CD2 3.85Å; V1395-L1410 HydrophobicContact CG1-CD2 3.5Å |
| 1396 | S | 96.2 | Very high | 77.3 | Confident | 65 Ų | 65 | 102.2 Ų | 102.2 | 46% | 0.455 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 151 | -178.9 | 40 | 0 | 0 | 0 | 0 | 112.7 | H1402 L1410 | S1396-H1402 CarbonylContact C-O 3.56Å; S1396-H1402 VanDerWaalsContact CA-O 3.3Å; S1396-H1402 WeakPolarHBondContact CA-O 3.41Å; S1396-L1410 VanDerWaalsContact O-CD2 3.31Å; S1396-L1410 WeakPolarHBondContact O-CD2 3.4Å |
| 1397 | C | 96.7 | Very high | 80 | Confident | 0 Ų | 0 | 101 Ų | 101 | 0% | 0 | 53% | 0.526 | C | S | . | . | trans | -73 | 131.9 | 164.2 | 179.1 | 0 | 0 | 0 | 0 | 110.5 | V1399 C1400 L1401 H1402 F1404 L1410 H1413 M1414 | C1397-V1399 VanDerWaalsContact C-N 3.27Å; C1397-V1399 PolarHBondContact O-N 3.26Å; C1397-V1399 PolarHBondContact SG-N 3.07Å; C1397-C1400 PolarHBondContact SG-N 3.48Å; C1397-L1401 WeakPolarHBondContact O-CA 3.44Å; C1397-L1401 PolarHBondContact O-N 2.81Å; C1397-H1402 PolarHBondContact N-O 3.34Å; C1397-F1404 HydrophobicContact CB-CE2 4.18Å; C1397-L1410 HydrophobicContact CB-CD1 3.83Å; C1397-H1413 WeakPolarHBondContact CB-NE2 3.43Å; C1397-H1413 PolarHBondContact SG-NE2 2.98Å; C1397-M1414 HydrophobicContact CB-SD 4.41Å; C1397-M1414 PolarHBondContact SG-SD 3.48Å | ||
| 1398 | C | 94.6 | Very high | 83 | Confident | 98 Ų | 98 | 102 Ų | 102 | 66% | 0.662 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -21.3 | 173.3 | 51.4 | 0 | 0 | 0 | 0 | 114.1 | ||
| 1399 | V | 94.7 | Very high | 85.8 | Confident | 89 Ų | 89 | 99.9 Ų | 99.9 | 54% | 0.539 | 51% | 0.508 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -32.5 | -174.9 | -170.2 | 0 | 0 | 0 | 0 | 113.1 | C1397 M1414 H1417 | C1397-V1399 VanDerWaalsContact C-N 3.27Å; C1397-V1399 PolarHBondContact O-N 3.26Å; C1397-V1399 PolarHBondContact SG-N 3.07Å; V1399-M1414 HydrophobicContact CG2-CE 4.16Å; V1399-H1417 WeakPolarHBondContact CG1-ND1 3.41Å; V1399-H1417 HydrophobicContact CG2-CB 4.48Å |
| 1400 | C | 96.2 | Very high | 88.4 | Confident | 42 Ų | 42 | 95 Ų | 95 | 28% | 0.284 | 48% | 0.477 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -130.9 | 7.4 | -179.8 | 72.5 | 0 | 0 | 0 | 0 | 115.1 | C1397 H1402 H1413 H1417 | C1397-C1400 PolarHBondContact SG-N 3.48Å; C1400-H1402 PolarHBondContact O-N 2.98Å; C1400-H1413 PolarHBondContact SG-CE1 3.15Å; C1400-H1413 PolarHBondContact SG-NE2 3.44Å; C1400-H1417 PolarHBondContact SG-NE2 2.85Å |
| 1401 | L | 92.2 | Very high | 90.7 | Very high | 128 Ų | 128 | 90.1 Ų | 90.1 | 67% | 0.67 | 46% | 0.462 | S | S | * | . | trans | 59.4 | -2.6 | 176.7 | -53.3 | 179.5 | 0 | 0 | 0 | 116.7 | C1397 R1403 | C1397-L1401 WeakPolarHBondContact O-CA 3.44Å; C1397-L1401 PolarHBondContact O-N 2.81Å; L1401-R1403 PolarHBondContact O-N 2.84Å | ||
| 1402 | H | 95.6 | Very high | 93 | Very high | 70 Ų | 70 | 90.2 Ų | 90.2 | 32% | 0.324 | 46% | 0.455 | S | S | . | . | trans | -53.7 | 132.9 | 173.7 | -75.8 | -20.2 | 0 | 0 | 0 | 111.8 | S1396 C1397 C1400 F1404 | S1396-H1402 CarbonylContact C-O 3.56Å; S1396-H1402 VanDerWaalsContact CA-O 3.3Å; S1396-H1402 WeakPolarHBondContact CA-O 3.41Å; C1397-H1402 PolarHBondContact N-O 3.34Å; C1400-H1402 PolarHBondContact O-N 2.98Å; H1402-F1404 HydrophobicContact CB-CE2 3.76Å; H1402-F1404 HydrophobicContact CB-CZ 3.83Å; H1402-F1404 VanDerWaalsContact O-CD2 3.29Å; H1402-F1404 WeakPolarHBondContact O-CD2 3.38Å; H1402-F1404 WeakPolarHBondContact O-CE2 3.47Å | ||
| 1403 | R | 95.4 | Very high | 94.9 | Very high | 171 Ų | 171 | 82.9 Ų | 82.9 | 65% | 0.645 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 128.8 | -177.2 | -64.2 | -173.3 | -172.7 | -164.3 | 4.2 | 111.3 | L1401 | L1401-R1403 PolarHBondContact O-N 2.84Å |
| 1404 | F | 96.3 | Very high | 95.4 | Very high | 40 Ų | 40 | 76.2 Ų | 76.2 | 18% | 0.175 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 135.1 | -179 | -61.7 | -84.7 | 0 | 0 | 0 | 110.9 | Y1394 V1395 C1397 H1402 S1406 D1409 L1410 H1413 | Y1394-F1404 CarbonylContact C-O 3.58Å; Y1394-F1404 VanDerWaalsContact CA-O 3.3Å; Y1394-F1404 WeakPolarHBondContact CA-O 3.38Å; V1395-F1404 PolarHBondContact N-O 3.01Å; V1395-F1404 PolarHBondContact O-N 3.24Å; C1397-F1404 HydrophobicContact CB-CE2 4.18Å; H1402-F1404 HydrophobicContact CB-CE2 3.76Å; H1402-F1404 HydrophobicContact CB-CZ 3.83Å; H1402-F1404 VanDerWaalsContact O-CD2 3.29Å; H1402-F1404 WeakPolarHBondContact O-CD2 3.38Å; H1402-F1404 WeakPolarHBondContact O-CE2 3.47Å; F1404-S1406 PolarHBondContact O-N 2.92Å; F1404-S1406 VanDerWaalsContact O-N 3.12Å; F1404-D1409 HydrophobicContact CB-CB 4.12Å; F1404-D1409 HydrophobicContact CD1-CB 4.02Å; F1404-D1409 HydrophobicContact CG-CB 4.43Å; F1404-L1410 HydrophobicContact CB-CB 4.1Å; F1404-L1410 HydrophobicContact CD2-CB 3.93Å; F1404-L1410 HydrophobicContact CD2-CD1 3.87Å; F1404-L1410 HydrophobicContact CD2-CG 4.46Å; F1404-L1410 HydrophobicContact CE2-CD1 4.08Å; F1404-L1410 HydrophobicContact CG-CB 4.12Å; F1404-H1413 HydrophobicContact CE1-CB 3.71Å; F1404-H1413 AromaticContact CE1-CG 3.96Å; F1404-H1413 HydrophobicContact CE2-CB 4.14Å; F1404-H1413 AromaticContact CE2-CD2 3.21Å; F1404-H1413 WeakPolarHBondContact CE2-CD2 3.46Å; F1404-H1413 AromaticContact CE2-CG 3.77Å; F1404-H1413 AromaticContact CE2-NE2 3.9Å; F1404-H1413 HydrophobicContact CZ-CB 3.51Å; F1404-H1413 AromaticContact CZ-CD2 3.18Å; F1404-H1413 WeakPolarHBondContact CZ-CD2 3.48Å; F1404-H1413 AromaticContact CZ-CG 3.24Å; F1404-H1413 AromaticContact CZ-ND1 3.97Å; F1404-H1413 AromaticContact CZ-NE2 3.86Å |
| 1405 | G | 96.2 | Very high | 95.7 | Very high | 58 Ų | 58 | 72.3 Ų | 72.3 | 60% | 0.598 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -71.9 | 3.2 | 178 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 1406 | S | 95.2 | Very high | 95.8 | Very high | 37 Ų | 37 | 72.4 Ų | 72.4 | 26% | 0.259 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -156.3 | 152.5 | 170.3 | 86.9 | 0 | 0 | 0 | 0 | 111.8 | F1404 Q1408 D1409 L1410 | F1404-S1406 PolarHBondContact O-N 2.92Å; F1404-S1406 VanDerWaalsContact O-N 3.12Å; S1406-Q1408 PolarHBondContact O-N 3.42Å; S1406-Q1408 PolarHBondContact OG-N 3.2Å; S1406-D1409 WeakPolarHBondContact CB-OD2 3.08Å; S1406-D1409 PolarHBondContact O-N 3.46Å; S1406-D1409 VanDerWaalsContact O-N 3.17Å; S1406-D1409 VanDerWaalsContact OG-CG 3.31Å; S1406-D1409 PolarHBondContact OG-N 2.84Å; S1406-D1409 PolarHBondContact OG-OD2 3.01Å; S1406-L1410 PolarHBondContact O-N 2.65Å; S1406-L1410 VanDerWaalsContact O-N 3.09Å |
| 1407 | Q | 95.4 | Very high | 95.8 | Very high | 119 Ų | 119 | 72.7 Ų | 72.7 | 56% | 0.556 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -60 | -28.4 | 172.3 | -174.6 | 64.5 | -4 | 0 | 0 | 112.6 | Q1411 | Q1407-Q1411 WeakPolarHBondContact O-CB 3.44Å; Q1407-Q1411 PolarHBondContact O-N 2.92Å |
| 1408 | Q | 95.1 | Very high | 95.7 | Very high | 145 Ų | 145 | 76.4 Ų | 76.4 | 68% | 0.678 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -74.2 | -32.3 | 178.2 | -62.7 | -176.2 | 4.6 | 0 | 0 | 112.3 | S1406 R1412 | S1406-Q1408 PolarHBondContact O-N 3.42Å; S1406-Q1408 PolarHBondContact OG-N 3.2Å; Q1408-R1412 WeakPolarHBondContact O-CB 3.12Å; Q1408-R1412 PolarHBondContact O-N 3.18Å |
| 1409 | D | 95.9 | Very high | 95.7 | Very high | 54 Ų | 54 | 74.1 Ų | 74.1 | 29% | 0.289 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -74.7 | -37.8 | 173.7 | -62.6 | -61.9 | 0 | 0 | 0 | 110.8 | F1404 S1406 R1412 H1413 | F1404-D1409 HydrophobicContact CB-CB 4.12Å; F1404-D1409 HydrophobicContact CD1-CB 4.02Å; F1404-D1409 HydrophobicContact CG-CB 4.43Å; S1406-D1409 WeakPolarHBondContact CB-OD2 3.08Å; S1406-D1409 PolarHBondContact O-N 3.46Å; S1406-D1409 VanDerWaalsContact O-N 3.17Å; S1406-D1409 VanDerWaalsContact OG-CG 3.31Å; S1406-D1409 PolarHBondContact OG-N 2.84Å; S1406-D1409 PolarHBondContact OG-OD2 3.01Å; D1409-R1412 WeakPolarHBondContact O-CB 3.33Å; D1409-R1412 PolarHBondContact O-N 3.37Å; D1409-R1412 IonicContact OD1-CZ 2.66Å; D1409-R1412 IonicContact OD1-NH1 3.03Å; D1409-R1412 PolarHBondContact OD1-NH1 3.04Å; D1409-R1412 IonicContact OD1-NH2 3.24Å; D1409-R1412 PolarHBondContact OD1-NH2 2.8Å; D1409-H1413 WeakPolarHBondContact O-CB 3.49Å; D1409-H1413 PolarHBondContact O-N 3.35Å |
| 1410 | L | 97 | Very high | 95.8 | Very high | 14 Ų | 14 | 74 Ų | 74 | 7% | 0.073 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -60.1 | -54.9 | 169.6 | 172.1 | 54.7 | 0 | 0 | 0 | 111.4 | V1395 S1396 C1397 F1404 S1406 R1412 H1413 M1414 | V1395-L1410 HydrophobicContact CB-CD2 3.85Å; V1395-L1410 HydrophobicContact CG1-CD2 3.5Å; S1396-L1410 VanDerWaalsContact O-CD2 3.31Å; S1396-L1410 WeakPolarHBondContact O-CD2 3.4Å; C1397-L1410 HydrophobicContact CB-CD1 3.83Å; F1404-L1410 HydrophobicContact CB-CB 4.1Å; F1404-L1410 HydrophobicContact CD2-CB 3.93Å; F1404-L1410 HydrophobicContact CD2-CD1 3.87Å; F1404-L1410 HydrophobicContact CD2-CG 4.46Å; F1404-L1410 HydrophobicContact CE2-CD1 4.08Å; F1404-L1410 HydrophobicContact CG-CB 4.12Å; S1406-L1410 PolarHBondContact O-N 2.65Å; S1406-L1410 VanDerWaalsContact O-N 3.09Å; L1410-R1412 PolarHBondContact O-N 2.96Å; L1410-H1413 CarbonylContact O-C 3.55Å; L1410-H1413 WeakPolarHBondContact O-CA 3.41Å; L1410-H1413 WeakPolarHBondContact O-CB 3.43Å; L1410-H1413 PolarHBondContact O-N 2.98Å; L1410-M1414 HydrophobicContact CD1-CG 3.97Å; L1410-M1414 HydrophobicContact CD1-SD 3.91Å; L1410-M1414 HydrophobicContact CG-CG 4.39Å; L1410-M1414 WeakPolarHBondContact O-CG 3.18Å; L1410-M1414 PolarHBondContact O-N 3.3Å |
| 1411 | Q | 96 | Very high | 95.8 | Very high | 116 Ų | 116 | 78.1 Ų | 78.1 | 54% | 0.542 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -59.2 | -33.4 | 178.6 | -165.9 | -163.5 | 34.2 | 0 | 0 | 112 | Q1407 | Q1407-Q1411 WeakPolarHBondContact O-CB 3.44Å; Q1407-Q1411 PolarHBondContact O-N 2.92Å |
| 1412 | R | 97 | Very high | 95.9 | Very high | 101 Ų | 101 | 75.5 Ų | 75.5 | 38% | 0.381 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -64.7 | -41.1 | 173.2 | -171.7 | -171.8 | -51.9 | 133.4 | 23.1 | 112 | Q1408 D1409 L1410 L1434 | Q1408-R1412 WeakPolarHBondContact O-CB 3.12Å; Q1408-R1412 PolarHBondContact O-N 3.18Å; D1409-R1412 WeakPolarHBondContact O-CB 3.33Å; D1409-R1412 PolarHBondContact O-N 3.37Å; D1409-R1412 IonicContact OD1-CZ 2.66Å; D1409-R1412 IonicContact OD1-NH1 3.03Å; D1409-R1412 PolarHBondContact OD1-NH1 3.04Å; D1409-R1412 IonicContact OD1-NH2 3.24Å; D1409-R1412 PolarHBondContact OD1-NH2 2.8Å; L1410-R1412 PolarHBondContact O-N 2.96Å; R1412-L1434 HydrophobicContact CG-CD2 3.21Å |
| 1413 | H | 96.4 | Very high | 96 | Very high | 21 Ų | 21 | 74.9 Ų | 74.9 | 10% | 0.097 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -73.3 | -34.9 | 176.8 | 157.5 | 63.3 | 0 | 0 | 0 | 112.9 | C1397 C1400 F1404 D1409 L1410 R1415 S1416 H1417 | C1397-H1413 WeakPolarHBondContact CB-NE2 3.43Å; C1397-H1413 PolarHBondContact SG-NE2 2.98Å; C1400-H1413 PolarHBondContact SG-CE1 3.15Å; C1400-H1413 PolarHBondContact SG-NE2 3.44Å; F1404-H1413 HydrophobicContact CE1-CB 3.71Å; F1404-H1413 AromaticContact CE1-CG 3.96Å; F1404-H1413 HydrophobicContact CE2-CB 4.14Å; F1404-H1413 AromaticContact CE2-CD2 3.21Å; F1404-H1413 WeakPolarHBondContact CE2-CD2 3.46Å; F1404-H1413 AromaticContact CE2-CG 3.77Å; F1404-H1413 AromaticContact CE2-NE2 3.9Å; F1404-H1413 HydrophobicContact CZ-CB 3.51Å; F1404-H1413 AromaticContact CZ-CD2 3.18Å; F1404-H1413 WeakPolarHBondContact CZ-CD2 3.48Å; F1404-H1413 AromaticContact CZ-CG 3.24Å; F1404-H1413 AromaticContact CZ-ND1 3.97Å; F1404-H1413 AromaticContact CZ-NE2 3.86Å; D1409-H1413 WeakPolarHBondContact O-CB 3.49Å; D1409-H1413 PolarHBondContact O-N 3.35Å; L1410-H1413 CarbonylContact O-C 3.55Å; L1410-H1413 WeakPolarHBondContact O-CA 3.41Å; L1410-H1413 WeakPolarHBondContact O-CB 3.43Å; L1410-H1413 PolarHBondContact O-N 2.98Å; H1413-R1415 PolarHBondContact O-N 3.37Å; H1413-S1416 PolarHBondContact ND1-OG 3.33Å; H1413-S1416 PolarHBondContact O-N 3.24Å; H1413-S1416 PolarHBondContact O-OG 3.48Å; H1413-H1417 AromaticContact CE1-CD2 3.58Å; H1413-H1417 AromaticContact CE1-NE2 3.2Å; H1413-H1417 PolarHBondContact CE1-NE2 3.44Å; H1413-H1417 AromaticContact NE2-CD2 3.63Å; H1413-H1417 AromaticContact NE2-NE2 3.39Å; H1413-H1417 PolarHBondContact NE2-NE2 3.34Å |
| 1414 | M | 96.7 | Very high | 96.1 | Very high | 46 Ų | 46 | 70.4 Ų | 70.4 | 23% | 0.227 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -54.6 | -26.8 | 177.1 | -69.8 | -54.9 | -65 | 0 | 0 | 112.9 | C1397 V1399 L1410 S1416 H1417 T1418 | C1397-M1414 HydrophobicContact CB-SD 4.41Å; C1397-M1414 PolarHBondContact SG-SD 3.48Å; V1399-M1414 HydrophobicContact CG2-CE 4.16Å; L1410-M1414 HydrophobicContact CD1-CG 3.97Å; L1410-M1414 HydrophobicContact CD1-SD 3.91Å; L1410-M1414 HydrophobicContact CG-CG 4.39Å; L1410-M1414 WeakPolarHBondContact O-CG 3.18Å; L1410-M1414 PolarHBondContact O-N 3.3Å; M1414-S1416 PolarHBondContact O-N 2.85Å; M1414-H1417 WeakPolarHBondContact O-CA 3.3Å; M1414-H1417 WeakPolarHBondContact O-CB 3.49Å; M1414-H1417 PolarHBondContact O-N 3.21Å; M1414-T1418 PolarHBondContact O-N 3.34Å; M1414-T1418 PolarHBondContact O-OG1 2.77Å |
| 1415 | R | 96.5 | Very high | 96.2 | Very high | 46 Ų | 46 | 68.5 Ų | 68.5 | 17% | 0.174 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -64.6 | -15.4 | 172.7 | -57.9 | -164.2 | -178.7 | 89.9 | 9.4 | 115.2 | H1413 H1417 G1419 E1420 | H1413-R1415 PolarHBondContact O-N 3.37Å; R1415-H1417 VanDerWaalsContact C-N 3.34Å; R1415-G1419 CarbonylContact O-C 3.53Å; R1415-G1419 WeakPolarHBondContact O-CA 3.38Å; R1415-G1419 PolarHBondContact O-N 2.62Å; R1415-G1419 VanDerWaalsContact O-N 3.14Å; R1415-E1420 HydrophobicContact CB-CB 4.13Å; R1415-E1420 HydrophobicContact CG-CB 3.92Å; R1415-E1420 IonicContact NE-OE2 2.66Å; R1415-E1420 PolarHBondContact NE-OE2 3.19Å |
| 1416 | S | 95.7 | Very high | 96.2 | Very high | 60 Ų | 60 | 70.8 Ų | 70.8 | 42% | 0.42 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -80.3 | -15.9 | 167.5 | 64.2 | 0 | 0 | 0 | 0 | 113.1 | H1413 M1414 | H1413-S1416 PolarHBondContact ND1-OG 3.33Å; H1413-S1416 PolarHBondContact O-N 3.24Å; H1413-S1416 PolarHBondContact O-OG 3.48Å; M1414-S1416 PolarHBondContact O-N 2.85Å |
| 1417 | H | 96.3 | Very high | 96.1 | Very high | 71 Ų | 71 | 74.7 Ų | 74.7 | 33% | 0.329 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -96.6 | -44.3 | 173.2 | -66.9 | -67.8 | 0 | 0 | 0 | 112 | V1399 C1400 H1413 M1414 R1415 G1419 | V1399-H1417 WeakPolarHBondContact CG1-ND1 3.41Å; V1399-H1417 HydrophobicContact CG2-CB 4.48Å; C1400-H1417 PolarHBondContact SG-NE2 2.85Å; H1413-H1417 AromaticContact CE1-CD2 3.58Å; H1413-H1417 AromaticContact CE1-NE2 3.2Å; H1413-H1417 PolarHBondContact CE1-NE2 3.44Å; H1413-H1417 AromaticContact NE2-CD2 3.63Å; H1413-H1417 AromaticContact NE2-NE2 3.39Å; H1413-H1417 PolarHBondContact NE2-NE2 3.34Å; M1414-H1417 WeakPolarHBondContact O-CA 3.3Å; M1414-H1417 WeakPolarHBondContact O-CB 3.49Å; M1414-H1417 PolarHBondContact O-N 3.21Å; R1415-H1417 VanDerWaalsContact C-N 3.34Å; H1417-G1419 VanDerWaalsContact C-N 3.28Å; H1417-G1419 PolarHBondContact O-N 3.22Å |
| 1418 | T | 95.6 | Very high | 96.2 | Very high | 79 Ų | 79 | 71.3 Ų | 71.3 | 49% | 0.485 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -76.2 | -15.2 | 175.9 | 64.1 | 0 | 0 | 0 | 0 | 113.3 | M1414 E1420 | M1414-T1418 PolarHBondContact O-N 3.34Å; M1414-T1418 PolarHBondContact O-OG1 2.77Å; T1418-E1420 WeakPolarHBondContact CB-OE1 3.41Å; T1418-E1420 PolarHBondContact O-N 3.39Å; T1418-E1420 VanDerWaalsContact OG1-CD 3.28Å; T1418-E1420 WeakPolarHBondContact OG1-CG 3.49Å; T1418-E1420 PolarHBondContact OG1-OE1 3.39Å |
| 1419 | G | 95 | Very high | 96.2 | Very high | 49 Ų | 49 | 66.7 Ų | 66.7 | 51% | 0.505 | 37% | 0.365 | S | S | . | . | trans | 74.7 | 0.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | R1415 H1417 R1421 | R1415-G1419 CarbonylContact O-C 3.53Å; R1415-G1419 WeakPolarHBondContact O-CA 3.38Å; R1415-G1419 PolarHBondContact O-N 2.62Å; R1415-G1419 VanDerWaalsContact O-N 3.14Å; H1417-G1419 VanDerWaalsContact C-N 3.28Å; H1417-G1419 PolarHBondContact O-N 3.22Å; G1419-R1421 WeakPolarHBondContact O-CG 3.36Å | ||
| 1420 | E | 96.1 | Very high | 96.2 | Very high | 88 Ų | 88 | 70 Ų | 70 | 41% | 0.411 | 38% | 0.377 | S | S | . | . | trans | -50.9 | 131.7 | -177 | -84.2 | 166.8 | -118.1 | 0 | 0 | 114.8 | R1415 T1418 P1422 S1433 | R1415-E1420 HydrophobicContact CB-CB 4.13Å; R1415-E1420 HydrophobicContact CG-CB 3.92Å; R1415-E1420 IonicContact NE-OE2 2.66Å; R1415-E1420 PolarHBondContact NE-OE2 3.19Å; T1418-E1420 WeakPolarHBondContact CB-OE1 3.41Å; T1418-E1420 PolarHBondContact O-N 3.39Å; T1418-E1420 VanDerWaalsContact OG1-CD 3.28Å; T1418-E1420 WeakPolarHBondContact OG1-CG 3.49Å; T1418-E1420 PolarHBondContact OG1-OE1 3.39Å; E1420-P1422 VanDerWaalsContact C-CD 3.4Å; E1420-S1433 WeakPolarHBondContact O-CA 3.38Å; E1420-S1433 VanDerWaalsContact O-CB 3.24Å; E1420-S1433 WeakPolarHBondContact O-CB 3.24Å | ||
| 1421 | R | 96.6 | Very high | 96.2 | Very high | 127 Ų | 127 | 74.3 Ų | 74.3 | 48% | 0.479 | 40% | 0.397 | S | S | . | . | trans | -125.8 | 48.4 | -178.7 | -45.1 | -173 | 70.1 | 97.6 | -4.4 | 114.7 | G1419 F1423 E1431 F1432 | G1419-R1421 WeakPolarHBondContact O-CG 3.36Å; R1421-F1423 PolarHBondContact O-N 2.8Å; R1421-E1431 HydrophobicContact CB-CB 3.53Å; R1421-E1431 HydrophobicContact CG-CB 4.41Å; R1421-E1431 PolarHBondContact NE-O 3.35Å; R1421-E1431 PolarHBondContact NH2-O 3.39Å; R1421-F1432 CarbonylContact C-O 3.54Å; R1421-F1432 WeakPolarHBondContact CA-O 3.35Å | ||
| 1422 | P | 94.7 | Very high | 96.3 | Very high | 73 Ų | 73 | 70.7 Ų | 70.7 | 47% | 0.474 | 38% | 0.379 | S | S | . | . | B | Isolated β-bridge | trans | -66.5 | 1.7 | -165.4 | 28.4 | -38.1 | 0 | 0 | 0 | 116.6 | E1420 | E1420-P1422 VanDerWaalsContact C-CD 3.4Å |
| 1423 | F | 97.7 | Very high | 96.3 | Very high | 57 Ų | 57 | 67.7 Ų | 67.7 | 25% | 0.25 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 88.2 | 178.8 | -54.7 | -75.8 | 0 | 0 | 0 | 111.1 | R1421 F1432 S1433 K1435 M1438 | R1421-F1423 PolarHBondContact O-N 2.8Å; F1423-F1432 HydrophobicContact CB-CB 4.48Å; F1423-F1432 WeakPolarHBondContact CB-O 3.28Å; F1423-F1432 WeakPolarHBondContact CD2-O 3.27Å; F1423-F1432 PolarHBondContact N-O 3.16Å; F1423-F1432 WeakPolarHBondContact O-CD2 3.2Å; F1423-F1432 PolarHBondContact O-N 3.13Å; F1423-S1433 WeakPolarHBondContact CE2-O 3.32Å; F1423-K1435 HydrophobicContact CD1-CB 3.69Å; F1423-K1435 HydrophobicContact CD1-CG 4.01Å; F1423-K1435 HydrophobicContact CD2-CB 4.34Å; F1423-K1435 HydrophobicContact CE1-CB 3.63Å; F1423-K1435 HydrophobicContact CE1-CD 4.24Å; F1423-K1435 HydrophobicContact CE1-CG 4.1Å; F1423-K1435 HydrophobicContact CE2-CB 4.28Å; F1423-K1435 HydrophobicContact CG-CB 4.05Å; F1423-K1435 HydrophobicContact CZ-CB 3.93Å; F1423-M1438 HydrophobicContact CB-CB 3.91Å; F1423-M1438 HydrophobicContact CB-CG 4.4Å |
| 1424 | V | 97.7 | Very high | 96.3 | Very high | 77 Ų | 77 | 67.7 Ų | 67.7 | 47% | 0.467 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 139.4 | 174.3 | -168.8 | 0 | 0 | 0 | 0 | 110.6 | G1429 E1431 | V1424-G1429 WeakPolarHBondContact CG1-O 3.34Å; V1424-E1431 HydrophobicContact CG2-CG 4.4Å |
| 1425 | C | 97.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 39% | 0.39 | C | S | . | . | trans | -84.8 | 119.9 | 172.6 | 179.6 | 0 | 0 | 0 | 0 | 110.9 | H1427 C1428 G1429 K1430 F1432 M1438 H1441 | C1425-H1427 VanDerWaalsContact C-N 3.28Å; C1425-H1427 PolarHBondContact O-N 3.48Å; C1425-C1428 PolarHBondContact O-N 2.81Å; C1425-G1429 PolarHBondContact O-N 3.15Å; C1425-K1430 WeakPolarHBondContact CB-O 3.42Å; C1425-K1430 PolarHBondContact N-O 3.48Å; C1425-F1432 HydrophobicContact CB-CE2 4.14Å; C1425-M1438 HydrophobicContact CB-CG 4.05Å; C1425-H1441 VanDerWaalsContact SG-CD2 3.57Å | ||
| 1426 | P | 95.1 | Very high | 96.3 | Very high | 106 Ų | 106 | 74.7 Ų | 74.7 | 69% | 0.688 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -31.6 | -172.1 | 24.1 | -34.4 | 0 | 0 | 0 | 113.7 | C1428 | P1426-C1428 VanDerWaalsContact C-N 3.35Å; P1426-C1428 PolarHBondContact O-N 2.97Å |
| 1427 | H | 94.6 | Very high | 96.4 | Very high | 119 Ų | 119 | 72.8 Ų | 72.8 | 55% | 0.551 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -8.3 | -177.6 | -54 | -67.3 | 0 | 0 | 0 | 115.4 | C1425 H1445 | C1425-H1427 VanDerWaalsContact C-N 3.28Å; C1425-H1427 PolarHBondContact O-N 3.48Å; H1427-H1445 HydrophobicContact CB-CB 4.08Å; H1427-H1445 AromaticContact CD2-CD2 3.94Å |
| 1428 | C | 96.2 | Very high | 96.4 | Very high | 48 Ų | 48 | 70.6 Ų | 70.6 | 32% | 0.324 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -160.4 | 9.3 | -173.3 | 68 | 0 | 0 | 0 | 0 | 116.4 | C1425 P1426 K1430 H1441 H1445 | C1425-C1428 PolarHBondContact O-N 2.81Å; P1426-C1428 VanDerWaalsContact C-N 3.35Å; P1426-C1428 PolarHBondContact O-N 2.97Å; C1428-K1430 PolarHBondContact O-N 3.27Å; C1428-H1441 PolarHBondContact SG-NE2 2.82Å; C1428-H1445 PolarHBondContact SG-NE2 3.31Å |
| 1429 | G | 95.9 | Very high | 96.5 | Very high | 49 Ų | 49 | 71.4 Ų | 71.4 | 51% | 0.505 | 38% | 0.381 | S | S | . | . | trans | 67.1 | -3.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | V1424 C1425 E1431 | V1424-G1429 WeakPolarHBondContact CG1-O 3.34Å; C1425-G1429 PolarHBondContact O-N 3.15Å; G1429-E1431 PolarHBondContact O-N 3.12Å | ||
| 1430 | K | 96.9 | Very high | 96.6 | Very high | 124 Ų | 124 | 73.9 Ų | 73.9 | 54% | 0.539 | 38% | 0.375 | S | S | . | . | trans | -67.3 | 124.9 | -176.6 | -70.9 | 176.5 | -178.9 | 171.3 | 0 | 111.5 | C1425 C1428 F1432 | C1425-K1430 WeakPolarHBondContact CB-O 3.42Å; C1425-K1430 PolarHBondContact N-O 3.48Å; C1428-K1430 PolarHBondContact O-N 3.27Å; K1430-F1432 HydrophobicContact CB-CE2 3.92Å; K1430-F1432 HydrophobicContact CB-CZ 4.21Å; K1430-F1432 VanDerWaalsContact O-CD2 3.27Å; K1430-F1432 WeakPolarHBondContact O-CD2 3.3Å; K1430-F1432 WeakPolarHBondContact O-CE2 3.33Å | ||
| 1431 | E | 96.8 | Very high | 96.6 | Very high | 104 Ų | 104 | 71.3 Ų | 71.3 | 49% | 0.486 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 143.2 | -175.1 | -48.6 | -179 | 162.8 | 0 | 0 | 112.9 | R1421 V1424 G1429 | R1421-E1431 HydrophobicContact CB-CB 3.53Å; R1421-E1431 HydrophobicContact CG-CB 4.41Å; R1421-E1431 PolarHBondContact NE-O 3.35Å; R1421-E1431 PolarHBondContact NH2-O 3.39Å; V1424-E1431 HydrophobicContact CG2-CG 4.4Å; G1429-E1431 PolarHBondContact O-N 3.12Å |
| 1432 | F | 97.9 | Very high | 96.5 | Very high | 40 Ų | 40 | 66.1 Ų | 66.1 | 18% | 0.175 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 142.8 | 179.1 | -59.3 | -92.4 | 0 | 0 | 0 | 111.5 | R1421 F1423 C1425 K1430 L1434 M1438 H1441 | R1421-F1432 CarbonylContact C-O 3.54Å; R1421-F1432 WeakPolarHBondContact CA-O 3.35Å; F1423-F1432 HydrophobicContact CB-CB 4.48Å; F1423-F1432 WeakPolarHBondContact CB-O 3.28Å; F1423-F1432 WeakPolarHBondContact CD2-O 3.27Å; F1423-F1432 PolarHBondContact N-O 3.16Å; F1423-F1432 WeakPolarHBondContact O-CD2 3.2Å; F1423-F1432 PolarHBondContact O-N 3.13Å; C1425-F1432 HydrophobicContact CB-CE2 4.14Å; K1430-F1432 HydrophobicContact CB-CE2 3.92Å; K1430-F1432 HydrophobicContact CB-CZ 4.21Å; K1430-F1432 VanDerWaalsContact O-CD2 3.27Å; K1430-F1432 WeakPolarHBondContact O-CD2 3.3Å; K1430-F1432 WeakPolarHBondContact O-CE2 3.33Å; F1432-L1434 PolarHBondContact O-N 3.49Å; F1432-M1438 HydrophobicContact CB-CB 4.08Å; F1432-M1438 HydrophobicContact CD2-CB 3.63Å; F1432-M1438 HydrophobicContact CD2-CG 4.01Å; F1432-M1438 HydrophobicContact CE2-CB 4.41Å; F1432-M1438 HydrophobicContact CG-CB 4.03Å; F1432-H1441 HydrophobicContact CE1-CB 4.09Å; F1432-H1441 HydrophobicContact CE2-CB 4.03Å; F1432-H1441 AromaticContact CE2-CD2 3.5Å; F1432-H1441 AromaticContact CE2-CG 3.94Å; F1432-H1441 HydrophobicContact CZ-CB 3.51Å; F1432-H1441 AromaticContact CZ-CD2 3.43Å; F1432-H1441 VanDerWaalsContact CZ-CD2 3.43Å; F1432-H1441 WeakPolarHBondContact CZ-CD2 3.5Å; F1432-H1441 AromaticContact CZ-CG 3.44Å; F1432-H1441 VanDerWaalsContact CZ-CG 3.44Å |
| 1433 | S | 96.7 | Very high | 96.5 | Very high | 37 Ų | 37 | 70.4 Ų | 70.4 | 26% | 0.259 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -68.8 | -15.9 | 173.8 | 53.2 | 0 | 0 | 0 | 0 | 114 | E1420 F1423 | E1420-S1433 WeakPolarHBondContact O-CA 3.38Å; E1420-S1433 VanDerWaalsContact O-CB 3.24Å; E1420-S1433 WeakPolarHBondContact O-CB 3.24Å; F1423-S1433 WeakPolarHBondContact CE2-O 3.32Å |
| 1434 | L | 97 | Very high | 96.3 | Very high | 22 Ų | 22 | 71.3 Ų | 71.3 | 12% | 0.115 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -134.2 | 129.4 | -173.5 | -54.6 | 177.4 | 0 | 0 | 0 | 112.9 | R1412 F1432 H1436 S1437 M1438 | R1412-L1434 HydrophobicContact CG-CD2 3.21Å; F1432-L1434 PolarHBondContact O-N 3.49Å; L1434-H1436 VanDerWaalsContact C-N 3.31Å; L1434-H1436 VanDerWaalsContact CD1-CE1 3.49Å; L1434-H1436 WeakPolarHBondContact CD1-CE1 3.08Å; L1434-H1436 PolarHBondContact O-N 3.02Å; L1434-S1437 WeakPolarHBondContact O-CB 3.48Å; L1434-S1437 PolarHBondContact O-N 2.83Å; L1434-M1438 PolarHBondContact O-N 2.92Å; L1434-M1438 VanDerWaalsContact O-N 3.16Å |
| 1435 | K | 96.1 | Very high | 96 | Very high | 127 Ų | 127 | 69 Ų | 69 | 55% | 0.552 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -52.1 | -44.9 | 179.9 | -169.7 | 170.1 | -179.5 | 173.7 | 0 | 112.9 | F1423 S1437 M1438 H1439 | F1423-K1435 HydrophobicContact CD1-CB 3.69Å; F1423-K1435 HydrophobicContact CD1-CG 4.01Å; F1423-K1435 HydrophobicContact CD2-CB 4.34Å; F1423-K1435 HydrophobicContact CE1-CB 3.63Å; F1423-K1435 HydrophobicContact CE1-CD 4.24Å; F1423-K1435 HydrophobicContact CE1-CG 4.1Å; F1423-K1435 HydrophobicContact CE2-CB 4.28Å; F1423-K1435 HydrophobicContact CG-CB 4.05Å; F1423-K1435 HydrophobicContact CZ-CB 3.93Å; K1435-S1437 VanDerWaalsContact C-N 3.3Å; K1435-S1437 PolarHBondContact O-N 3.43Å; K1435-M1438 PolarHBondContact O-N 2.62Å; K1435-H1439 PolarHBondContact O-N 3.23Å; K1435-H1439 PolarHBondContact O-ND1 3.49Å |
| 1436 | H | 95.7 | Very high | 95.6 | Very high | 112 Ų | 112 | 74.2 Ų | 74.2 | 52% | 0.519 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -68.6 | -26.1 | 179.4 | 62.9 | 62.3 | 0 | 0 | 0 | 113.4 | L1434 R1440 | L1434-H1436 VanDerWaalsContact C-N 3.31Å; L1434-H1436 VanDerWaalsContact CD1-CE1 3.49Å; L1434-H1436 WeakPolarHBondContact CD1-CE1 3.08Å; L1434-H1436 PolarHBondContact O-N 3.02Å; H1436-R1440 WeakPolarHBondContact O-CB 3.44Å; H1436-R1440 PolarHBondContact O-N 2.85Å |
| 1437 | S | 97.3 | Very high | 94.9 | Very high | 19 Ų | 19 | 77 Ų | 77 | 13% | 0.133 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -74.4 | -40.8 | 176.3 | -63.8 | 0 | 0 | 0 | 0 | 110.6 | L1434 K1435 R1440 H1441 | L1434-S1437 WeakPolarHBondContact O-CB 3.48Å; L1434-S1437 PolarHBondContact O-N 2.83Å; K1435-S1437 VanDerWaalsContact C-N 3.3Å; K1435-S1437 PolarHBondContact O-N 3.43Å; S1437-R1440 PolarHBondContact O-N 2.92Å; S1437-H1441 WeakPolarHBondContact O-CB 3.14Å; S1437-H1441 PolarHBondContact O-N 3.07Å |
| 1438 | M | 97.4 | Very high | 94 | Very high | 26 Ų | 26 | 76.9 Ų | 76.9 | 13% | 0.128 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -59.2 | -48.9 | 169 | -179.9 | -85.2 | -86.3 | 0 | 0 | 111.3 | F1423 C1425 F1432 L1434 K1435 R1440 H1441 A1442 | F1423-M1438 HydrophobicContact CB-CB 3.91Å; F1423-M1438 HydrophobicContact CB-CG 4.4Å; C1425-M1438 HydrophobicContact CB-CG 4.05Å; F1432-M1438 HydrophobicContact CB-CB 4.08Å; F1432-M1438 HydrophobicContact CD2-CB 3.63Å; F1432-M1438 HydrophobicContact CD2-CG 4.01Å; F1432-M1438 HydrophobicContact CE2-CB 4.41Å; F1432-M1438 HydrophobicContact CG-CB 4.03Å; L1434-M1438 PolarHBondContact O-N 2.92Å; L1434-M1438 VanDerWaalsContact O-N 3.16Å; K1435-M1438 PolarHBondContact O-N 2.62Å; M1438-R1440 VanDerWaalsContact C-N 3.35Å; M1438-R1440 PolarHBondContact O-N 3.06Å; M1438-H1441 CarbonylContact O-C 3.52Å; M1438-H1441 WeakPolarHBondContact O-CB 3.21Å; M1438-H1441 PolarHBondContact O-N 3.35Å; M1438-H1441 VanDerWaalsContact O-N 3.14Å; M1438-A1442 PolarHBondContact O-N 3.27Å |
| 1439 | H | 96.9 | Very high | 92.6 | Very high | 96 Ų | 96 | 77.2 Ų | 77.2 | 44% | 0.444 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.7 | -36.8 | 178.1 | -72.1 | 57.8 | 0 | 0 | 0 | 112.4 | K1435 H1441 A1442 R1443 | K1435-H1439 PolarHBondContact O-N 3.23Å; K1435-H1439 PolarHBondContact O-ND1 3.49Å; H1439-H1441 VanDerWaalsContact C-N 3.3Å; H1439-H1441 PolarHBondContact O-N 2.72Å; H1439-A1442 PolarHBondContact O-N 2.67Å; H1439-R1443 PolarHBondContact O-N 2.81Å |
| 1440 | R | 96.9 | Very high | 91.6 | Very high | 101 Ų | 101 | 77.5 Ų | 77.5 | 38% | 0.381 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62 | -39.8 | 174.2 | -174.8 | 178.9 | 79.7 | -163 | 13 | 111.2 | H348 H1436 S1437 M1438 | H348-R1440 PolarHBondContact O-NH2 3.08Å; H1436-R1440 WeakPolarHBondContact O-CB 3.44Å; H1436-R1440 PolarHBondContact O-N 2.85Å; S1437-R1440 PolarHBondContact O-N 2.92Å; M1438-R1440 VanDerWaalsContact C-N 3.35Å; M1438-R1440 PolarHBondContact O-N 3.06Å |
| 1441 | H | 96.3 | Very high | 90.1 | Very high | 34 Ų | 34 | 80.9 Ų | 80.9 | 16% | 0.157 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -71.3 | -38 | 175 | 170.8 | 58.5 | 0 | 0 | 0 | 112.7 | C1425 C1428 F1432 S1437 M1438 H1439 R1443 V1444 H1445 | C1425-H1441 VanDerWaalsContact SG-CD2 3.57Å; C1428-H1441 PolarHBondContact SG-NE2 2.82Å; F1432-H1441 HydrophobicContact CE1-CB 4.09Å; F1432-H1441 HydrophobicContact CE2-CB 4.03Å; F1432-H1441 AromaticContact CE2-CD2 3.5Å; F1432-H1441 AromaticContact CE2-CG 3.94Å; F1432-H1441 HydrophobicContact CZ-CB 3.51Å; F1432-H1441 AromaticContact CZ-CD2 3.43Å; F1432-H1441 VanDerWaalsContact CZ-CD2 3.43Å; F1432-H1441 WeakPolarHBondContact CZ-CD2 3.5Å; F1432-H1441 AromaticContact CZ-CG 3.44Å; F1432-H1441 VanDerWaalsContact CZ-CG 3.44Å; S1437-H1441 WeakPolarHBondContact O-CB 3.14Å; S1437-H1441 PolarHBondContact O-N 3.07Å; M1438-H1441 CarbonylContact O-C 3.52Å; M1438-H1441 WeakPolarHBondContact O-CB 3.21Å; M1438-H1441 PolarHBondContact O-N 3.35Å; M1438-H1441 VanDerWaalsContact O-N 3.14Å; H1439-H1441 VanDerWaalsContact C-N 3.3Å; H1439-H1441 PolarHBondContact O-N 2.72Å; H1441-R1443 PolarHBondContact O-N 3.02Å; H1441-R1443 VanDerWaalsContact O-N 3.12Å; H1441-V1444 VanDerWaalsContact O-CB 3.26Å; H1441-V1444 WeakPolarHBondContact O-CB 3.39Å; H1441-V1444 WeakPolarHBondContact O-CG2 3.33Å; H1441-V1444 PolarHBondContact O-N 3.06Å; H1441-H1445 AromaticContact CD2-NE2 3.88Å; H1441-H1445 AromaticContact CE1-NE2 3.44Å; H1441-H1445 PolarHBondContact CE1-NE2 3.35Å; H1441-H1445 AromaticContact NE2-CD2 3.97Å; H1441-H1445 AromaticContact NE2-CE1 3.89Å; H1441-H1445 AromaticContact NE2-NE2 3.04Å; H1441-H1445 PolarHBondContact NE2-NE2 3.35Å |
| 1442 | A | 94.3 | Very high | 88.5 | Confident | 17 Ų | 17 | 79.8 Ų | 79.8 | 14% | 0.14 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -56 | -31.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | M1438 H1439 V1444 H1445 I1446 | M1438-A1442 PolarHBondContact O-N 3.27Å; H1439-A1442 PolarHBondContact O-N 2.67Å; A1442-V1444 PolarHBondContact O-N 2.82Å; A1442-H1445 WeakPolarHBondContact O-CB 3.42Å; A1442-H1445 PolarHBondContact O-N 3.3Å; A1442-I1446 PolarHBondContact O-N 2.93Å |
| 1443 | R | 94.9 | Very high | 86.6 | Confident | 164 Ų | 164 | 82.8 Ų | 82.8 | 62% | 0.619 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -68.7 | -8.5 | 173.7 | -60.1 | -172.5 | -56.3 | -174.3 | 4.7 | 115 | H1439 H1441 | H1439-R1443 PolarHBondContact O-N 2.81Å; H1441-R1443 PolarHBondContact O-N 3.02Å; H1441-R1443 VanDerWaalsContact O-N 3.12Å |
| 1444 | V | 93.5 | Very high | 84.6 | Confident | 76 Ų | 76 | 85.4 Ų | 85.4 | 46% | 0.461 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -74.3 | -48 | 168.7 | -177.7 | 0 | 0 | 0 | 0 | 109.2 | H1441 A1442 I1446 K1447 E1448 | H1441-V1444 VanDerWaalsContact O-CB 3.26Å; H1441-V1444 WeakPolarHBondContact O-CB 3.39Å; H1441-V1444 WeakPolarHBondContact O-CG2 3.33Å; H1441-V1444 PolarHBondContact O-N 3.06Å; A1442-V1444 PolarHBondContact O-N 2.82Å; V1444-I1446 VanDerWaalsContact C-N 3.3Å; V1444-I1446 PolarHBondContact O-N 3.46Å; V1444-K1447 WeakPolarHBondContact O-CA 3.39Å; V1444-K1447 WeakPolarHBondContact O-CB 3.42Å; V1444-K1447 PolarHBondContact O-N 3.25Å; V1444-E1448 PolarHBondContact O-N 2.9Å; V1444-E1448 VanDerWaalsContact O-N 3.14Å |
| 1445 | H | 91.8 | Very high | 82.4 | Confident | 27 Ų | 27 | 88.2 Ų | 88.2 | 13% | 0.125 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -56.5 | -43.1 | 176.3 | -59 | -60.2 | 0 | 0 | 0 | 111.8 | H1427 C1428 H1441 A1442 K1447 E1448 S1449 | H1427-H1445 HydrophobicContact CB-CB 4.08Å; H1427-H1445 AromaticContact CD2-CD2 3.94Å; C1428-H1445 PolarHBondContact SG-NE2 3.31Å; H1441-H1445 AromaticContact CD2-NE2 3.88Å; H1441-H1445 AromaticContact CE1-NE2 3.44Å; H1441-H1445 PolarHBondContact CE1-NE2 3.35Å; H1441-H1445 AromaticContact NE2-CD2 3.97Å; H1441-H1445 AromaticContact NE2-CE1 3.89Å; H1441-H1445 AromaticContact NE2-NE2 3.04Å; H1441-H1445 PolarHBondContact NE2-NE2 3.35Å; A1442-H1445 WeakPolarHBondContact O-CB 3.42Å; A1442-H1445 PolarHBondContact O-N 3.3Å; H1445-K1447 PolarHBondContact O-N 2.9Å; H1445-E1448 CarbonylContact O-C 3.36Å; H1445-E1448 WeakPolarHBondContact O-CA 3.38Å; H1445-E1448 WeakPolarHBondContact O-CB 3.38Å; H1445-E1448 PolarHBondContact O-N 3.26Å; H1445-S1449 WeakPolarHBondContact O-CB 3.35Å; H1445-S1449 PolarHBondContact O-N 3.46Å; H1445-S1449 PolarHBondContact O-OG 3.38Å; H1445-S1449 VanDerWaalsContact O-OG 3.07Å |
| 1446 | I | 88.7 | Confident | 80.3 | Confident | 111 Ų | 111 | 90.3 Ų | 90.3 | 57% | 0.569 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -57.3 | -35.4 | 175.7 | -58.8 | 175 | 0 | 0 | 0 | 112.3 | A1442 V1444 E1448 A1450 | A1442-I1446 PolarHBondContact O-N 2.93Å; V1444-I1446 VanDerWaalsContact C-N 3.3Å; V1444-I1446 PolarHBondContact O-N 3.46Å; I1446-E1448 VanDerWaalsContact C-N 3.35Å; I1446-A1450 VanDerWaalsContact O-CB 3.27Å; I1446-A1450 WeakPolarHBondContact O-CB 3.27Å; I1446-A1450 PolarHBondContact O-N 2.9Å; I1446-A1450 VanDerWaalsContact O-N 3.08Å |
| 1447 | K | 82.1 | Confident | 77.9 | Confident | 163 Ų | 163 | 91.9 Ų | 91.9 | 71% | 0.709 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -75.6 | -23.4 | 176.2 | -70.5 | -173.5 | 172.2 | -160.5 | 0 | 113.6 | V1444 H1445 | V1444-K1447 WeakPolarHBondContact O-CA 3.39Å; V1444-K1447 WeakPolarHBondContact O-CB 3.42Å; V1444-K1447 PolarHBondContact O-N 3.25Å; H1445-K1447 PolarHBondContact O-N 2.9Å |
| 1448 | E | 74 | Confident | 75.5 | Confident | 117 Ų | 117 | 96.4 Ų | 96.4 | 55% | 0.547 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -86.1 | -46.3 | 179.6 | -163.6 | 152.3 | -151.5 | 0 | 0 | 110.2 | V1444 H1445 I1446 A1450 R1451 T1452 | V1444-E1448 PolarHBondContact O-N 2.9Å; V1444-E1448 VanDerWaalsContact O-N 3.14Å; H1445-E1448 CarbonylContact O-C 3.36Å; H1445-E1448 WeakPolarHBondContact O-CA 3.38Å; H1445-E1448 WeakPolarHBondContact O-CB 3.38Å; H1445-E1448 PolarHBondContact O-N 3.26Å; I1446-E1448 VanDerWaalsContact C-N 3.35Å; E1448-A1450 VanDerWaalsContact C-N 3.26Å; E1448-A1450 PolarHBondContact O-N 2.95Å; E1448-R1451 WeakPolarHBondContact O-CA 3.41Å; E1448-R1451 WeakPolarHBondContact O-CB 3.37Å; E1448-R1451 PolarHBondContact O-N 3.36Å; E1448-T1452 PolarHBondContact O-N 3.4Å |
| 1449 | S | 68.5 | Low | 72.9 | Confident | 55 Ų | 55 | 102.6 Ų | 102.6 | 39% | 0.385 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -57.1 | -35.8 | 168.1 | -53.6 | 0 | 0 | 0 | 0 | 112.8 | H1445 R1451 T1452 N1453 | H1445-S1449 WeakPolarHBondContact O-CB 3.35Å; H1445-S1449 PolarHBondContact O-N 3.46Å; H1445-S1449 PolarHBondContact O-OG 3.38Å; H1445-S1449 VanDerWaalsContact O-OG 3.07Å; S1449-R1451 PolarHBondContact O-N 2.89Å; S1449-T1452 WeakPolarHBondContact CA-OG1 3.48Å; S1449-T1452 PolarHBondContact O-N 2.91Å; S1449-T1452 PolarHBondContact O-OG1 2.95Å; S1449-N1453 VanDerWaalsContact O-CB 3.26Å; S1449-N1453 WeakPolarHBondContact O-CB 3.44Å; S1449-N1453 PolarHBondContact O-N 3.49Å |
| 1450 | A | 73.6 | Confident | 70 | Confident | 56 Ų | 56 | 106 Ų | 106 | 46% | 0.463 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.2 | -30.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | I1446 E1448 T1454 | I1446-A1450 VanDerWaalsContact O-CB 3.27Å; I1446-A1450 WeakPolarHBondContact O-CB 3.27Å; I1446-A1450 PolarHBondContact O-N 2.9Å; I1446-A1450 VanDerWaalsContact O-N 3.08Å; E1448-A1450 VanDerWaalsContact C-N 3.26Å; E1448-A1450 PolarHBondContact O-N 2.95Å; A1450-T1454 PolarHBondContact O-OG1 3.3Å |
| 1451 | R | 65.4 | Low | 66.9 | Low | 195 Ų | 195 | 105.9 Ų | 105.9 | 74% | 0.736 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -81.7 | -42.1 | 176.2 | -74.4 | 177.3 | 159.7 | -173.4 | -9.1 | 112.4 | E1448 S1449 T1454 S1455 | E1448-R1451 WeakPolarHBondContact O-CA 3.41Å; E1448-R1451 WeakPolarHBondContact O-CB 3.37Å; E1448-R1451 PolarHBondContact O-N 3.36Å; S1449-R1451 PolarHBondContact O-N 2.89Å; R1451-T1454 WeakPolarHBondContact CA-OG1 3.47Å; R1451-T1454 PolarHBondContact O-N 3.39Å; R1451-T1454 PolarHBondContact O-OG1 3.33Å; R1451-S1455 PolarHBondContact O-N 3.23Å; R1451-S1455 PolarHBondContact O-OG 3.3Å |
| 1452 | T | 63.5 | Low | 64 | Low | 81 Ų | 81 | 111 Ų | 111 | 50% | 0.497 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -69.8 | -33.5 | 178.7 | 57.4 | 0 | 0 | 0 | 0 | 112.3 | E1448 S1449 S1455 K1456 | E1448-T1452 PolarHBondContact O-N 3.4Å; S1449-T1452 WeakPolarHBondContact CA-OG1 3.48Å; S1449-T1452 PolarHBondContact O-N 2.91Å; S1449-T1452 PolarHBondContact O-OG1 2.95Å; T1452-S1455 WeakPolarHBondContact O-CB 3.07Å; T1452-S1455 PolarHBondContact O-N 3.38Å; T1452-K1456 PolarHBondContact O-N 3.4Å |
| 1453 | N | 57.7 | Low | 61.3 | Low | 103 Ų | 103 | 115.8 Ų | 115.8 | 55% | 0.551 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -68.3 | -35.1 | 174.2 | -71.6 | 0.1 | 0 | 0 | 0 | 112.3 | S1449 S1455 K1456 N1457 | S1449-N1453 VanDerWaalsContact O-CB 3.26Å; S1449-N1453 WeakPolarHBondContact O-CB 3.44Å; S1449-N1453 PolarHBondContact O-N 3.49Å; N1453-S1455 PolarHBondContact O-N 3.36Å; N1453-K1456 PolarHBondContact O-N 3.17Å; N1453-N1457 PolarHBondContact O-N 3.47Å |
| 1454 | T | 54.5 | Low | 58.2 | Low | 91 Ų | 91 | 114.6 Ų | 114.6 | 56% | 0.558 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -64 | -29.6 | 171.4 | 42.3 | 0 | 0 | 0 | 0 | 112.9 | A1450 R1451 V1458 | A1450-T1454 PolarHBondContact O-OG1 3.3Å; R1451-T1454 WeakPolarHBondContact CA-OG1 3.47Å; R1451-T1454 PolarHBondContact O-N 3.39Å; R1451-T1454 PolarHBondContact O-OG1 3.33Å; T1454-V1458 WeakPolarHBondContact O-CG2 3.45Å |
| 1455 | S | 52 | Low | 55.5 | Low | 82 Ų | 82 | 119.1 Ų | 119.1 | 57% | 0.573 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -73.3 | -28.4 | 174.9 | -58.1 | 0 | 0 | 0 | 0 | 113.6 | R1451 T1452 N1453 | R1451-S1455 PolarHBondContact O-N 3.23Å; R1451-S1455 PolarHBondContact O-OG 3.3Å; T1452-S1455 WeakPolarHBondContact O-CB 3.07Å; T1452-S1455 PolarHBondContact O-N 3.38Å; N1453-S1455 PolarHBondContact O-N 3.36Å |
| 1456 | K | 51 | Low | 52.6 | Low | 170 Ų | 170 | 123 Ų | 123 | 74% | 0.739 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -79.5 | -23.9 | 178.8 | -73.1 | -162.5 | 171.7 | -165.7 | 0 | 114.3 | T1452 N1453 | T1452-K1456 PolarHBondContact O-N 3.4Å; N1453-K1456 PolarHBondContact O-N 3.17Å |
| 1457 | N | 45.8 | Very low | 49.8 | Very low | 146 Ų | 146 | 123.2 Ų | 123.2 | 78% | 0.781 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | 5.3 | 179.3 | -79.7 | 15.3 | 0 | 0 | 0 | 114.8 | N1453 | N1453-N1457 PolarHBondContact O-N 3.47Š|
| 1458 | V | 47.3 | Very low | 47.4 | Very low | 113 Ų | 113 | 121 Ų | 121 | 69% | 0.685 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.9 | 0.3 | -179.5 | 175.6 | 0 | 0 | 0 | 0 | 112.3 | T1454 | T1454-V1458 WeakPolarHBondContact O-CG2 3.45Š|
| 1459 | L | 42.2 | Very low | 45.5 | Very low | 156 Ų | 156 | 121.5 Ų | 121.5 | 82% | 0.817 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -116.3 | 23.4 | -174.5 | -119.6 | 161 | 0 | 0 | 0 | 113.7 | ||
| 1460 | L | 35.1 | Very low | 43.7 | Very low | 168 Ų | 168 | 127.8 Ų | 127.8 | 88% | 0.88 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -138.1 | 55.5 | 177.5 | -156.5 | 77.9 | 0 | 0 | 0 | 112 | ||
| 1461 | S | 33.1 | Very low | 41.7 | Very low | 99 Ų | 99 | 134.4 Ų | 134.4 | 69% | 0.692 | 74% | 0.735 | S | S | * | * | trans | -152.2 | 39.7 | -178.7 | 67.7 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1462 | T | 35.4 | Very low | 40.1 | Very low | 140 Ų | 140 | 130 Ų | 130 | 86% | 0.859 | 73% | 0.734 | S | S | * | * | trans | -157.3 | 94.2 | 158.4 | 44.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1463 | S | 36.7 | Very low | 38.7 | Very low | 119 Ų | 119 | 134.1 Ų | 134.1 | 83% | 0.832 | 75% | 0.748 | S | S | * | * | trans | -142 | 115 | 159.9 | 56.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1464 | N | 29.7 | Very low | 37.7 | Very low | 139 Ų | 139 | 138.3 Ų | 138.3 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | trans | -78.7 | 174.3 | -173.1 | -71.6 | -25.1 | 0 | 0 | 0 | 112.7 | ||||
| 1465 | H | 36.8 | Very low | 36.7 | Very low | 171 Ų | 171 | 142.1 Ų | 142.1 | 79% | 0.792 | 78% | 0.779 | S | S | * | * | trans | 96.1 | 121.5 | 162.8 | -57.2 | -80.8 | 0 | 0 | 0 | 118.1 | ||||
| 1466 | S | 32.2 | Very low | 36.3 | Very low | 109 Ų | 109 | 147.4 Ų | 147.4 | 76% | 0.762 | 82% | 0.816 | S | S | * | * | trans | 40.9 | 138.5 | 139.3 | 60 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1467 | C | 28.6 | Very low | 35.5 | Very low | 114 Ų | 114 | 146.3 Ų | 146.3 | 77% | 0.77 | 82% | 0.82 | S | S | * | * | cis | -159.2 | -168.4 | 10.9 | -136.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1468 | T | 31.6 | Very low | 35 | Very low | 116 Ų | 116 | 146.3 Ų | 146.3 | 71% | 0.712 | 82% | 0.822 | S | S | * | * | trans | -33.7 | 153.5 | 158.6 | 55.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1469 | T | 35.5 | Very low | 34.3 | Very low | 128 Ų | 128 | 148.2 Ų | 148.2 | 79% | 0.785 | 83% | 0.83 | S | S | * | * | cis | -158 | 161.4 | 39.8 | -42.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1470 | F | 29.1 | Very low | 33.9 | Very low | 187 Ų | 187 | 147.7 Ų | 147.7 | 82% | 0.82 | 83% | 0.83 | S | S | * | * | trans | -61.6 | 138 | 165.2 | -85.3 | -109.8 | 0 | 0 | 0 | 112.1 | ||||
| 1471 | K | 32.8 | Very low | 33.8 | Very low | 195 Ų | 195 | 146.4 Ų | 146.4 | 85% | 0.848 | 83% | 0.827 | S | S | * | * | trans | -139.8 | 135.5 | 141.4 | -89.7 | -155.4 | 170 | -160.5 | 0 | 109.5 | ||||
| 1472 | S | 30.7 | Very low | 33.8 | Very low | 102 Ų | 102 | 149.6 Ų | 149.6 | 71% | 0.713 | 84% | 0.836 | S | S | * | * | trans | -138.4 | 84.5 | -174.3 | 54 | 0 | 0 | 0 | 0 | 110 | ||||
| 1473 | E | 34 | Very low | 33.7 | Very low | 169 Ų | 169 | 150.3 Ų | 150.3 | 79% | 0.79 | 84% | 0.835 | S | S | * | * | trans | -168.9 | 138.3 | -176.3 | -104 | 151.2 | -160.8 | 0 | 0 | 105 | ||||
| 1474 | E | 36.8 | Very low | 33.5 | Very low | 191 Ų | 191 | 152.7 Ų | 152.7 | 89% | 0.893 | 84% | 0.835 | S | S | * | * | cis | -133.5 | -172.6 | 9.9 | -76.2 | -179.5 | 102.7 | 0 | 0 | 112.1 | ||||
| 1475 | I | 34.3 | Very low | 33.8 | Very low | 171 Ų | 171 | 153.8 Ų | 153.8 | 88% | 0.877 | 84% | 0.843 | S | S | * | * | trans | -121.1 | 117.6 | -173.7 | -60.2 | 170.5 | 0 | 0 | 0 | 111.3 | ||||
| 1476 | S | 43.4 | Very low | 33.5 | Very low | 193 Ų | 193 | 152.3 Ų | 152.3 | 100% | 1.35 | 85% | 0.847 | S | S | * | * | trans | -158.2 | 0 | 154.9 | 69.8 | 0 | 0 | 0 | 0 | 111.5 |
Retrieved 1,476 of 1,476 residues in 314.3 ms
(Link to these results)