| 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 | 34 | Very low | 33.4 | Very low | 216 Ų | 216 | 159.5 Ų | 159.5 | 100% | 1.064 | 80% | 0.801 | S | S | * | * | 0 | 106.6 | 0 | -54.1 | 74 | 179 | 0 | 0 | 106.9 | |||||
| 2 | D | 31.1 | Very low | 34.7 | Very low | 142 Ų | 142 | 155.6 Ų | 155.6 | 76% | 0.759 | 80% | 0.795 | S | S | * | * | 81.1 | 130.9 | 81.6 | -61.7 | -47 | 0 | 0 | 0 | 110.6 | |||||
| 3 | T | 35.7 | Very low | 34.5 | Very low | 124 Ų | 124 | 152.8 Ų | 152.8 | 76% | 0.761 | 79% | 0.791 | S | S | * | * | cis | -154.1 | 179 | 4 | -4.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 4 | S | 34.4 | Very low | 34.4 | Very low | 97 Ų | 97 | 153.4 Ų | 153.4 | 68% | 0.678 | 79% | 0.788 | S | S | * | * | trans | -20.8 | 139.3 | 166 | -50.1 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 5 | W | 29.4 | Very low | 34 | Very low | 240 Ų | 240 | 152.5 Ų | 152.5 | 91% | 0.909 | 79% | 0.793 | S | S | * | * | 81.4 | 130.3 | 56.4 | -133.7 | 5.7 | 0 | 0 | 0 | 114.6 | |||||
| 6 | S | 37.3 | Very low | 33.8 | Very low | 87 Ų | 87 | 154.3 Ų | 154.3 | 61% | 0.608 | 80% | 0.796 | S | S | * | * | trans | 73.5 | 154.4 | 154.8 | -61.7 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 7 | N | 34.6 | Very low | 35 | Very low | 129 Ų | 129 | 150.6 Ų | 150.6 | 69% | 0.69 | 78% | 0.784 | S | S | * | * | cis | -163.7 | 147.4 | -17.5 | -107.7 | -20.4 | 0 | 0 | 0 | 113.4 | ||||
| 8 | F | 33.9 | Very low | 34.5 | Very low | 182 Ų | 182 | 151.4 Ų | 151.4 | 80% | 0.798 | 78% | 0.783 | S | S | * | * | trans | 49.6 | 142.7 | 141.4 | -84.8 | -69.1 | 0 | 0 | 0 | 126.5 | ||||
| 9 | L | 31.6 | Very low | 34.3 | Very low | 156 Ų | 156 | 149.8 Ų | 149.8 | 82% | 0.817 | 78% | 0.782 | S | S | * | * | trans | 114.4 | 159.5 | 131.4 | -88.9 | 165.8 | 0 | 0 | 0 | 121.9 | ||||
| 10 | F | 31.6 | Very low | 35 | Very low | 199 Ų | 199 | 147.5 Ų | 147.5 | 87% | 0.873 | 78% | 0.776 | S | S | * | * | trans | -94 | 159.9 | -157.8 | -91.8 | -121.4 | 0 | 0 | 0 | 115 | ||||
| 11 | Q | 34 | Very low | 34.8 | Very low | 182 Ų | 182 | 147 Ų | 147 | 85% | 0.85 | 77% | 0.773 | S | S | * | * | trans | -71 | 175.2 | 159.8 | -76 | -179 | -34.1 | 0 | 0 | 112.8 | ||||
| 12 | P | 49.4 | Very low | 34.6 | Very low | 113 Ų | 113 | 145 Ų | 145 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | cis | -127.9 | -157.5 | 11.8 | 31.6 | -5.5 | 0 | 0 | 0 | 112.8 | ||||
| 13 | T | 31.9 | Very low | 34.7 | Very low | 120 Ų | 120 | 142.1 Ų | 142.1 | 74% | 0.736 | 76% | 0.757 | S | S | * | * | cis | -160.8 | 155.2 | 17.1 | -23.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 14 | Q | 33.6 | Very low | 34.4 | Very low | 160 Ų | 160 | 143.7 Ų | 143.7 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | trans | 9.9 | 121.1 | 150 | -68.4 | -79.1 | 30.1 | 0 | 0 | 121.6 | ||||
| 15 | T | 27.7 | Very low | 34.1 | Very low | 141 Ų | 141 | 146.9 Ų | 146.9 | 87% | 0.865 | 77% | 0.767 | S | S | * | * | -168 | 174.4 | 93.9 | 32.1 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 16 | Q | 31.4 | Very low | 34.4 | Very low | 180 Ų | 180 | 142.9 Ų | 142.9 | 84% | 0.841 | 76% | 0.763 | S | S | * | * | trans | -137.3 | 174.7 | -172.1 | -105.8 | -165.6 | 3.7 | 0 | 0 | 110.8 | ||||
| 17 | P | 53.8 | Low | 35.5 | Very low | 92 Ų | 92 | 143.8 Ų | 143.8 | 60% | 0.597 | 77% | 0.767 | S | S | * | * | cis | -130.3 | -173.8 | -20.4 | 30.2 | -8.1 | 0 | 0 | 0 | 112.6 | ||||
| 18 | E | 26.1 | Very low | 35.1 | Very low | 165 Ų | 165 | 144 Ų | 144 | 77% | 0.771 | 77% | 0.767 | S | S | * | * | trans | 165.9 | 168.1 | 132.4 | -84.5 | -49 | 90.3 | 0 | 0 | 111 | ||||
| 19 | T | 30.2 | Very low | 34.9 | Very low | 122 Ų | 122 | 141.7 Ų | 141.7 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | trans | -151.6 | 171.4 | -166.1 | 46 | 0 | 0 | 0 | 0 | 112 | ||||
| 20 | P | 47.8 | Very low | 34.8 | Very low | 102 Ų | 102 | 141.1 Ų | 141.1 | 66% | 0.662 | 77% | 0.766 | S | S | * | * | cis | -139.4 | -169.1 | -32.2 | 34.7 | -14.2 | 0 | 0 | 0 | 114.5 | ||||
| 21 | L | 31 | Very low | 34.6 | Very low | 139 Ų | 139 | 134.7 Ų | 134.7 | 73% | 0.728 | 76% | 0.756 | S | S | * | * | trans | 81.1 | 125.3 | 154.1 | -63.7 | 174.2 | 0 | 0 | 0 | 122.6 | ||||
| 22 | Q | 31.3 | Very low | 34.4 | Very low | 172 Ų | 172 | 132.5 Ų | 132.5 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | trans | 62 | 152.8 | 138.4 | -66.1 | 168.8 | -80.9 | 0 | 0 | 120.8 | ||||
| 23 | A | 31.8 | Very low | 33.5 | Very low | 83 Ų | 83 | 131.7 Ų | 131.7 | 69% | 0.686 | 76% | 0.764 | S | S | * | * | cis | -168.8 | 162.5 | -24.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 24 | D | 29.5 | Very low | 33.4 | Very low | 156 Ų | 156 | 135 Ų | 135 | 83% | 0.834 | 77% | 0.771 | S | S | * | * | trans | 75.3 | 171.3 | 154.6 | -129.7 | -79.9 | 0 | 0 | 0 | 121.6 | ||||
| 25 | M | 28.2 | Very low | 33.3 | Very low | 165 Ų | 165 | 132.7 Ų | 132.7 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | trans | 75.9 | 98.1 | 169.9 | -52.7 | -138.2 | 74.5 | 0 | 0 | 120.9 | ||||
| 26 | L | 35.1 | Very low | 35 | Very low | 156 Ų | 156 | 131.4 Ų | 131.4 | 82% | 0.817 | 77% | 0.767 | S | S | * | * | trans | -89.9 | 179.9 | 140.8 | -74.9 | 171 | 0 | 0 | 0 | 109.2 | ||||
| 27 | P | 61.5 | Low | 35.6 | Very low | 106 Ų | 106 | 128.5 Ų | 128.5 | 69% | 0.688 | 76% | 0.763 | S | S | * | * | cis | -125.3 | -173.7 | -14.8 | 25.9 | -2.1 | 0 | 0 | 0 | 112.2 | ||||
| 28 | D | 26.7 | Very low | 34.6 | Very low | 132 Ų | 132 | 128.5 Ų | 128.5 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | -179.6 | 145.4 | 108.2 | -115.9 | -154.1 | 0 | 0 | 0 | 117.4 | |||||
| 29 | L | 28.4 | Very low | 34.8 | Very low | 135 Ų | 135 | 128 Ų | 128 | 71% | 0.707 | 77% | 0.768 | S | S | * | * | trans | 59.1 | 136.9 | 145.3 | -71.3 | 173.1 | 0 | 0 | 0 | 125.4 | ||||
| 30 | T | 29.4 | Very low | 35.1 | Very low | 143 Ų | 143 | 130.7 Ų | 130.7 | 88% | 0.877 | 77% | 0.772 | S | S | * | * | trans | 66.6 | 142.9 | 156.7 | 58 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 31 | G | 27.1 | Very low | 34.3 | Very low | 64 Ų | 64 | 131.9 Ų | 131.9 | 66% | 0.66 | 77% | 0.772 | S | S | * | * | cis | 169.8 | 173.5 | -6.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 32 | S | 30.8 | Very low | 34.3 | Very low | 136 Ų | 136 | 132.2 Ų | 132.2 | 95% | 0.951 | 78% | 0.779 | S | S | * | * | trans | 68.6 | 120.7 | 169.9 | -58 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 33 | A | 30.2 | Very low | 34.4 | Very low | 97 Ų | 97 | 130 Ų | 130 | 80% | 0.802 | 78% | 0.777 | S | S | * | * | trans | -101.9 | 157.7 | 162.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 34 | Q | 30.9 | Very low | 34.7 | Very low | 189 Ų | 189 | 130.2 Ų | 130.2 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | trans | -155.9 | 149.3 | 158.6 | -117.5 | 166.6 | 13.6 | 0 | 0 | 112.7 | ||||
| 35 | S | 30.6 | Very low | 35.4 | Very low | 112 Ų | 112 | 128.5 Ų | 128.5 | 78% | 0.783 | 78% | 0.777 | S | S | * | * | trans | -156.3 | -172.8 | 178.6 | -59 | 0 | 0 | 0 | 0 | 108 | ||||
| 36 | P | 64.1 | Low | 35.6 | Very low | 114 Ų | 114 | 125.9 Ų | 125.9 | 74% | 0.74 | 78% | 0.775 | S | S | * | * | -105.2 | -171.3 | -95 | 40.7 | -27.6 | 0 | 0 | 0 | 113 | |||||
| 37 | P | 43.4 | Very low | 35.7 | Very low | 118 Ų | 118 | 124.3 Ų | 124.3 | 77% | 0.766 | 77% | 0.772 | S | S | * | * | -124 | 154.5 | 121 | 1.3 | 20.6 | 0 | 0 | 0 | 111.3 | |||||
| 38 | A | 31.9 | Very low | 34.7 | Very low | 92 Ų | 92 | 125.6 Ų | 125.6 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | cis | 73.8 | 138.6 | 45.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 39 | E | 30.8 | Very low | 34.9 | Very low | 154 Ų | 154 | 125.7 Ų | 125.7 | 72% | 0.72 | 78% | 0.778 | S | S | * | * | cis | -133.1 | 173.2 | 11.2 | -59.5 | -177.9 | 101.3 | 0 | 0 | 110.7 | ||||
| 40 | H | 36.7 | Very low | 35.8 | Very low | 180 Ų | 180 | 125.3 Ų | 125.3 | 83% | 0.833 | 78% | 0.781 | S | S | * | * | -165.2 | 163.3 | 70.5 | -122.3 | -84.4 | 0 | 0 | 0 | 113.9 | |||||
| 41 | I | 32.1 | Very low | 35.8 | Very low | 126 Ų | 126 | 122.9 Ų | 122.9 | 65% | 0.646 | 78% | 0.776 | S | S | * | * | trans | -112.4 | 141.1 | -164.9 | -61.6 | 155.1 | 0 | 0 | 0 | 113.3 | T43 | I41-T43 HydrophobicContact CG2-CG2 4.21Š| ||
| 42 | V | 30.6 | Very low | 35.9 | Very low | 146 Ų | 146 | 124.4 Ų | 124.4 | 89% | 0.885 | 78% | 0.782 | S | S | * | * | trans | -142.5 | 151.8 | 142.4 | -176.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 43 | T | 32.6 | Very low | 36 | Very low | 125 Ų | 125 | 126 Ų | 126 | 77% | 0.767 | 78% | 0.779 | S | S | * | * | trans | -104 | 165.9 | -157 | 47.3 | 0 | 0 | 0 | 0 | 117.4 | I41 | I41-T43 HydrophobicContact CG2-CG2 4.21Š| ||
| 44 | A | 37.6 | Very low | 36.7 | Very low | 89 Ų | 89 | 127.3 Ų | 127.3 | 74% | 0.736 | 78% | 0.782 | S | S | * | * | trans | -98.8 | 176.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 45 | P | 45.1 | Very low | 37 | Very low | 119 Ų | 119 | 127.2 Ų | 127.2 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | -127.2 | 147.5 | 121.8 | 6.5 | 15.3 | 0 | 0 | 0 | 112.1 | |||||
| 46 | S | 33.2 | Very low | 37.7 | Very low | 110 Ų | 110 | 131.2 Ų | 131.2 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | 68.2 | 132.4 | 71.6 | -141.4 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 47 | T | 36.8 | Very low | 36.4 | Very low | 124 Ų | 124 | 131.7 Ų | 131.7 | 76% | 0.761 | 79% | 0.791 | S | S | * | * | cis | -147.3 | 171.7 | 22.3 | 53.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 48 | V | 39.4 | Very low | 36.4 | Very low | 132 Ų | 132 | 133.5 Ų | 133.5 | 80% | 0.8 | 79% | 0.794 | S | S | * | * | cis | -160.1 | -179.6 | -3.3 | 115.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 49 | D | 31.8 | Very low | 36.9 | Very low | 134 Ų | 134 | 135 Ų | 135 | 72% | 0.717 | 80% | 0.796 | S | S | * | * | trans | -52.8 | 145.6 | -174.3 | -77.8 | -88.9 | 0 | 0 | 0 | 123.2 | ||||
| 50 | T | 46 | Very low | 37.4 | Very low | 127 Ų | 127 | 134.3 Ų | 134.3 | 78% | 0.779 | 80% | 0.802 | S | S | * | * | 8.2 | 120.7 | 118.6 | -23.9 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 51 | A | 30.9 | Very low | 37.7 | Very low | 93 Ų | 93 | 134.8 Ų | 134.8 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | 159.7 | 156.3 | 117.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 52 | A | 28.9 | Very low | 38 | Very low | 95 Ų | 95 | 134.7 Ų | 134.7 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | trans | 74.3 | 160.7 | 158.5 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 53 | L | 32.5 | Very low | 38.7 | Very low | 171 Ų | 171 | 135.3 Ų | 135.3 | 90% | 0.895 | 81% | 0.806 | S | S | * | * | trans | 69 | 95 | 173.2 | -56.6 | -177 | 0 | 0 | 0 | 118.1 | ||||
| 54 | S | 43.9 | Very low | 39.3 | Very low | 123 Ų | 123 | 134.7 Ų | 134.7 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | -63.7 | 132.9 | 158.9 | -36.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 55 | E | 38.1 | Very low | 39.4 | Very low | 188 Ų | 188 | 139.7 Ų | 139.7 | 88% | 0.879 | 81% | 0.81 | S | S | * | * | trans | -142.5 | 140.9 | 152.9 | -72.4 | -156.3 | 123.3 | 0 | 0 | 110.1 | ||||
| 56 | E | 45.6 | Very low | 39.1 | Very low | 195 Ų | 195 | 139.8 Ų | 139.8 | 91% | 0.911 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -91.6 | 123.7 | 175.7 | -78.8 | -174 | 72 | 0 | 0 | 111.8 | ||
| 57 | P | 37.4 | Very low | 39.9 | Very low | 124 Ų | 124 | 141.2 Ų | 141.2 | 81% | 0.805 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 126.1 | 165.5 | 31.2 | -27.2 | 0 | 0 | 0 | 111.9 | ||
| 58 | L | 42.8 | Very low | 40.8 | Very low | 156 Ų | 156 | 146.5 Ų | 146.5 | 82% | 0.817 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 157.3 | -174.4 | -70 | 169.2 | 0 | 0 | 0 | 116.3 | V60 | L58-V60 PolarHBondContact O-N 2.66Å; L58-V60 VanDerWaalsContact O-N 3.13Å |
| 59 | P | 41.6 | Very low | 41.6 | Very low | 124 Ų | 124 | 145.4 Ų | 145.4 | 81% | 0.805 | 82% | 0.816 | S | S | * | * | trans | -61.9 | 113.4 | -170 | 23.4 | -35.7 | 0 | 0 | 0 | 114.3 | K61 | P59-K61 PolarHBondContact O-N 2.99Š| ||
| 60 | V | 41.8 | Very low | 43.1 | Very low | 140 Ų | 140 | 141.6 Ų | 141.6 | 85% | 0.848 | 80% | 0.803 | S | S | * | * | trans | -69.4 | 113.1 | 178.8 | -170.3 | 0 | 0 | 0 | 0 | 110.8 | L58 | L58-V60 PolarHBondContact O-N 2.66Å; L58-V60 VanDerWaalsContact O-N 3.13Å | ||
| 61 | K | 44.1 | Very low | 44.7 | Very low | 190 Ų | 190 | 138.9 Ų | 138.9 | 83% | 0.826 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 130.3 | 178.1 | -139.7 | 170.3 | -170.3 | 170.8 | 0 | 110.2 | P59 L63 | P59-K61 PolarHBondContact O-N 2.99Å; K61-L63 PolarHBondContact O-N 3.41Å; K61-L63 VanDerWaalsContact O-N 3.13Å |
| 62 | P | 38.2 | Very low | 47 | Very low | 124 Ų | 124 | 138 Ų | 138 | 81% | 0.805 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 118.3 | -177.9 | -26.7 | 35.2 | 0 | 0 | 0 | 112.7 | ||
| 63 | L | 44.1 | Very low | 49.6 | Very low | 158 Ų | 158 | 133.4 Ų | 133.4 | 83% | 0.827 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 133.9 | 175.7 | -162.5 | 74.4 | 0 | 0 | 0 | 109.6 | K61 K65 | K61-L63 PolarHBondContact O-N 3.41Å; K61-L63 VanDerWaalsContact O-N 3.13Å; L63-K65 PolarHBondContact O-N 3.34Å |
| 64 | P | 45.6 | Very low | 51.9 | Low | 113 Ų | 113 | 130.1 Ų | 130.1 | 73% | 0.734 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 126.7 | 179.6 | 23.6 | -33.4 | 0 | 0 | 0 | 110.6 | ||
| 65 | K | 40.4 | Very low | 53.5 | Low | 193 Ų | 193 | 128.7 Ų | 128.7 | 84% | 0.839 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 137.9 | 175.7 | -69.2 | 172.6 | -179.5 | 170.2 | 0 | 109.3 | L63 T67 | L63-K65 PolarHBondContact O-N 3.34Å; K65-T67 PolarHBondContact O-N 3.21Å; K65-T67 VanDerWaalsContact O-N 3.15Å |
| 66 | P | 37.6 | Very low | 55.7 | Low | 122 Ų | 122 | 121.9 Ų | 121.9 | 79% | 0.792 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 124.1 | -179.5 | 23 | -33.4 | 0 | 0 | 0 | 110.1 | R68 | P66-R68 PolarHBondContact O-N 2.96Š|
| 67 | T | 50.2 | Low | 57.4 | Low | 139 Ų | 139 | 118.5 Ų | 118.5 | 85% | 0.853 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 126.6 | 176.8 | -15.2 | 0 | 0 | 0 | 0 | 108.3 | K65 | K65-T67 PolarHBondContact O-N 3.21Å; K65-T67 VanDerWaalsContact O-N 3.15Å |
| 68 | R | 56.4 | Low | 59.6 | Low | 236 Ų | 236 | 118.8 Ų | 118.8 | 89% | 0.891 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 130.9 | 178.7 | -72.5 | -176.3 | 177.9 | -178.9 | -0.6 | 108.7 | P66 A70 | P66-R68 PolarHBondContact O-N 2.96Å; R68-A70 PolarHBondContact O-N 3.25Å; R68-A70 VanDerWaalsContact O-N 3.09Å |
| 69 | P | 55.8 | Low | 61.5 | Low | 108 Ų | 108 | 117.9 Ų | 117.9 | 70% | 0.701 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 120.2 | 174.6 | 24.7 | -33 | 0 | 0 | 0 | 108.4 | H71 | P69-H71 PolarHBondContact O-N 3.13Š|
| 70 | A | 63.3 | Low | 63.5 | Low | 54 Ų | 54 | 114.3 Ų | 114.3 | 45% | 0.446 | 62% | 0.616 | S | S | . | * | P | Polyproline II helix | trans | -58.1 | 135.5 | 176 | 0 | 0 | 0 | 0 | 0 | 109 | R68 I72 E79 | R68-A70 PolarHBondContact O-N 3.25Å; R68-A70 VanDerWaalsContact O-N 3.09Å; A70-I72 HydrophobicContact CB-CD1 4.01Å; A70-I72 HydrophobicContact CB-CG1 3.66Å; A70-I72 PolarHBondContact O-N 2.9Å; A70-E79 WeakPolarHBondContact CB-OE1 3.47Å |
| 71 | H | 78.8 | Confident | 65 | Low | 71 Ų | 71 | 117.9 Ų | 117.9 | 33% | 0.329 | 62% | 0.62 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -80.4 | 71 | 178.5 | -61.1 | -61.4 | 0 | 0 | 0 | 109.6 | P69 F80 N82 S83 L86 | P69-H71 PolarHBondContact O-N 3.13Å; H71-F80 HydrophobicContact CB-CB 4.37Å; H71-F80 WeakPolarHBondContact CB-O 3.43Å; H71-F80 WeakPolarHBondContact O-CD2 3.4Å; H71-F80 PolarHBondContact O-N 3.13Å; H71-N82 VanDerWaalsContact CD2-CA 3.44Å; H71-N82 WeakPolarHBondContact CD2-CA 3.38Å; H71-S83 PolarHBondContact CD2-N 3.2Å; H71-S83 VanDerWaalsContact CD2-N 3.33Å; H71-S83 PolarHBondContact NE2-N 3.3Å; H71-L86 HydrophobicContact CB-CB 4.08Å; H71-L86 HydrophobicContact CB-CD2 3.81Å |
| 72 | I | 80.4 | Confident | 66.7 | Low | 73 Ų | 73 | 111.6 Ų | 111.6 | 37% | 0.374 | 60% | 0.596 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81.5 | 138.4 | -179.4 | -48.6 | -168.6 | 0 | 0 | 0 | 109.9 | A70 S74 N77 K78 E79 | A70-I72 HydrophobicContact CB-CD1 4.01Å; A70-I72 HydrophobicContact CB-CG1 3.66Å; A70-I72 PolarHBondContact O-N 2.9Å; I72-S74 PolarHBondContact O-N 3.05Å; I72-N77 HydrophobicContact CG2-CB 4.26Å; I72-K78 WeakPolarHBondContact CA-O 3.16Å; I72-E79 HydrophobicContact CD1-CG 4.38Å; I72-E79 HydrophobicContact CG1-CG 4.16Å |
| 73 | C | 82.9 | Confident | 68.7 | Low | 0 Ų | 0 | 109.3 Ų | 109.3 | 0% | 0 | 58% | 0.582 | C | S | . | * | trans | -84.2 | 107.8 | 172.1 | -176.4 | 0 | 0 | 0 | 0 | 110.9 | T75 C76 N77 K78 F80 L86 | C73-T75 PolarHBondContact O-N 3.39Å; C73-C76 PolarHBondContact O-N 3.46Å; C73-C76 VanDerWaalsContact SG-SG 3.69Å; C73-N77 WeakPolarHBondContact O-CA 3.47Å; C73-N77 PolarHBondContact O-N 3.09Å; C73-K78 PolarHBondContact N-O 3.31Å; C73-F80 HydrophobicContact CB-CE2 3.94Å; C73-L86 VanDerWaalsContact CA-CD1 3.47Å; C73-L86 HydrophobicContact CB-CD1 3.56Å | ||
| 74 | S | 80.5 | Confident | 70.4 | Confident | 101 Ų | 101 | 106 Ų | 106 | 71% | 0.706 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.6 | -17.6 | 179.7 | 48.7 | 0 | 0 | 0 | 0 | 115.7 | I72 | I72-S74 PolarHBondContact O-N 3.05Š|
| 75 | T | 78.4 | Confident | 71.9 | Confident | 93 Ų | 93 | 103.5 Ų | 103.5 | 57% | 0.571 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -16.1 | 176.3 | -36.6 | 0 | 0 | 0 | 0 | 114 | C73 H93 | C73-T75 PolarHBondContact O-N 3.39Å; T75-H93 HydrophobicContact CG2-CB 4.02Å |
| 76 | C | 83.6 | Confident | 74 | Confident | 45 Ų | 45 | 95.3 Ų | 95.3 | 30% | 0.304 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -153.2 | 6.6 | -172 | 68.9 | 0 | 0 | 0 | 0 | 115.5 | C73 K78 H89 H93 | C73-C76 PolarHBondContact O-N 3.46Å; C73-C76 VanDerWaalsContact SG-SG 3.69Å; C76-K78 PolarHBondContact O-N 2.85Å; C76-H89 PolarHBondContact SG-NE2 3.42Å; C76-H93 PolarHBondContact SG-NE2 3.48Å; C76-H93 VanDerWaalsContact SG-NE2 3.44Å |
| 77 | N | 81.9 | Confident | 76 | Confident | 125 Ų | 125 | 98 Ų | 98 | 67% | 0.668 | 50% | 0.5 | S | S | * | . | trans | 47.9 | 19.4 | -174.6 | -76.4 | -2.9 | 0 | 0 | 0 | 117.5 | I72 C73 | I72-N77 HydrophobicContact CG2-CB 4.26Å; C73-N77 WeakPolarHBondContact O-CA 3.47Å; C73-N77 PolarHBondContact O-N 3.09Å | ||
| 78 | K | 83.3 | Confident | 77.3 | Confident | 129 Ų | 129 | 98.1 Ų | 98.1 | 56% | 0.561 | 48% | 0.484 | S | S | * | . | trans | -74.6 | 130.4 | 172.5 | -67.1 | -173.3 | 177.5 | -176.1 | 0 | 110.9 | I72 C73 C76 F80 | I72-K78 WeakPolarHBondContact CA-O 3.16Å; C73-K78 PolarHBondContact N-O 3.31Å; C76-K78 PolarHBondContact O-N 2.85Å; K78-F80 HydrophobicContact CB-CE2 3.77Å; K78-F80 HydrophobicContact CB-CZ 3.9Å; K78-F80 VanDerWaalsContact O-CD2 3.28Å; K78-F80 WeakPolarHBondContact O-CD2 3.28Å; K78-F80 WeakPolarHBondContact O-CE2 3.33Å | ||
| 79 | E | 82.9 | Confident | 78.6 | Confident | 138 Ų | 138 | 88.8 Ų | 88.8 | 65% | 0.645 | 45% | 0.451 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 143.2 | 176.7 | -53.1 | -162.6 | 94.1 | 0 | 0 | 112.3 | A70 I72 | A70-E79 WeakPolarHBondContact CB-OE1 3.47Å; I72-E79 HydrophobicContact CD1-CG 4.38Å; I72-E79 HydrophobicContact CG1-CG 4.16Å |
| 80 | F | 82.9 | Confident | 79.8 | Confident | 48 Ų | 48 | 86.7 Ų | 86.7 | 21% | 0.211 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 140.9 | 178.3 | -65.4 | -82.3 | 0 | 0 | 0 | 112.7 | H71 C73 K78 N82 N85 L86 H89 | H71-F80 HydrophobicContact CB-CB 4.37Å; H71-F80 WeakPolarHBondContact CB-O 3.43Å; H71-F80 WeakPolarHBondContact O-CD2 3.4Å; H71-F80 PolarHBondContact O-N 3.13Å; C73-F80 HydrophobicContact CB-CE2 3.94Å; K78-F80 HydrophobicContact CB-CE2 3.77Å; K78-F80 HydrophobicContact CB-CZ 3.9Å; K78-F80 VanDerWaalsContact O-CD2 3.28Å; K78-F80 WeakPolarHBondContact O-CD2 3.28Å; K78-F80 WeakPolarHBondContact O-CE2 3.33Å; F80-N82 PolarHBondContact O-N 3.46Å; F80-N82 VanDerWaalsContact O-N 3.15Å; F80-N85 HydrophobicContact CB-CB 4.21Å; F80-N85 HydrophobicContact CD1-CB 3.92Å; F80-N85 HydrophobicContact CG-CB 4.39Å; F80-L86 HydrophobicContact CB-CB 4.05Å; F80-L86 HydrophobicContact CD2-CB 4.09Å; F80-L86 HydrophobicContact CD2-CD1 3.97Å; F80-L86 HydrophobicContact CE2-CD1 4.43Å; F80-L86 HydrophobicContact CG-CB 4.23Å; F80-H89 HydrophobicContact CE1-CB 3.87Å; F80-H89 HydrophobicContact CE2-CB 3.84Å; F80-H89 AromaticContact CE2-CD2 3.49Å; F80-H89 VanDerWaalsContact CE2-CD2 3.49Å; F80-H89 WeakPolarHBondContact CE2-CD2 3.49Å; F80-H89 AromaticContact CE2-CG 3.78Å; F80-H89 HydrophobicContact CZ-CB 3.44Å; F80-H89 VanDerWaalsContact CZ-CB 3.44Å; F80-H89 AromaticContact CZ-CD2 3.32Å; F80-H89 WeakPolarHBondContact CZ-CD2 3.26Å; F80-H89 AromaticContact CZ-CG 3.25Å; F80-H89 AromaticContact CZ-ND1 3.92Å |
| 81 | K | 73.9 | Confident | 80.6 | Confident | 215 Ų | 215 | 85.8 Ų | 85.8 | 94% | 0.935 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -68.2 | -11.8 | -178.1 | -64.1 | -174.9 | 178.1 | -176.2 | 0 | 114.5 | ||
| 82 | N | 79.9 | Confident | 80.6 | Confident | 59 Ų | 59 | 87.4 Ų | 87.4 | 32% | 0.316 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -158.8 | 162.9 | 169.7 | 64.8 | 16.7 | 0 | 0 | 0 | 111.8 | H71 F80 Y84 N85 L86 | H71-N82 VanDerWaalsContact CD2-CA 3.44Å; H71-N82 WeakPolarHBondContact CD2-CA 3.38Å; F80-N82 PolarHBondContact O-N 3.46Å; F80-N82 VanDerWaalsContact O-N 3.15Å; N82-Y84 VanDerWaalsContact C-N 3.26Å; N82-Y84 PolarHBondContact O-N 3.02Å; N82-N85 PolarHBondContact O-N 2.79Å; N82-N85 WeakPolarHBondContact OD1-CB 3.31Å; N82-N85 PolarHBondContact OD1-N 2.95Å; N82-N85 PolarHBondContact OD1-ND2 3.29Å; N82-L86 PolarHBondContact O-N 3.15Å |
| 83 | S | 79.2 | Confident | 80.4 | Confident | 75 Ų | 75 | 87.6 Ų | 87.6 | 52% | 0.524 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -60.5 | -27.4 | 178.3 | 56.4 | 0 | 0 | 0 | 0 | 114.5 | H71 R87 | H71-S83 PolarHBondContact CD2-N 3.2Å; H71-S83 VanDerWaalsContact CD2-N 3.33Å; H71-S83 PolarHBondContact NE2-N 3.3Å; S83-R87 VanDerWaalsContact O-CB 3.31Å; S83-R87 WeakPolarHBondContact O-CB 3.44Å; S83-R87 PolarHBondContact O-N 2.91Å |
| 84 | Y | 81 | Confident | 79.8 | Confident | 89 Ų | 89 | 91.7 Ų | 91.7 | 35% | 0.349 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -66.3 | -47.5 | 175.2 | 171 | -107.6 | 0 | 0 | 0 | 112.1 | N82 L86 R87 R88 D225 | N82-Y84 VanDerWaalsContact C-N 3.26Å; N82-Y84 PolarHBondContact O-N 3.02Å; Y84-L86 VanDerWaalsContact C-N 3.34Å; Y84-R87 PolarHBondContact O-N 3.16Å; Y84-R88 WeakPolarHBondContact O-CB 3.46Å; Y84-R88 PolarHBondContact O-N 2.97Å; Y84-D225 WeakPolarHBondContact CD2-OD2 3.47Å; Y84-D225 WeakPolarHBondContact CE2-OD2 3.34Å |
| 85 | N | 76.9 | Confident | 78.6 | Confident | 61 Ų | 61 | 89.9 Ų | 89.9 | 33% | 0.326 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -66.8 | -36.8 | 177.1 | -74.6 | -62.5 | 0 | 0 | 0 | 111.5 | F80 N82 R88 H89 | F80-N85 HydrophobicContact CB-CB 4.21Å; F80-N85 HydrophobicContact CD1-CB 3.92Å; F80-N85 HydrophobicContact CG-CB 4.39Å; N82-N85 PolarHBondContact O-N 2.79Å; N82-N85 WeakPolarHBondContact OD1-CB 3.31Å; N82-N85 PolarHBondContact OD1-N 2.95Å; N82-N85 PolarHBondContact OD1-ND2 3.29Å; N85-R88 PolarHBondContact O-N 3.07Å; N85-H89 WeakPolarHBondContact O-CB 3.5Å; N85-H89 PolarHBondContact O-N 3.44Å |
| 86 | L | 84.9 | Confident | 77.5 | Confident | 20 Ų | 20 | 88.7 Ų | 88.7 | 11% | 0.105 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -57.8 | -53.9 | 169.9 | 170.1 | 59.9 | 0 | 0 | 0 | 111.5 | H71 C73 F80 N82 Y84 R88 H89 Q90 | H71-L86 HydrophobicContact CB-CB 4.08Å; H71-L86 HydrophobicContact CB-CD2 3.81Å; C73-L86 VanDerWaalsContact CA-CD1 3.47Å; C73-L86 HydrophobicContact CB-CD1 3.56Å; F80-L86 HydrophobicContact CB-CB 4.05Å; F80-L86 HydrophobicContact CD2-CB 4.09Å; F80-L86 HydrophobicContact CD2-CD1 3.97Å; F80-L86 HydrophobicContact CE2-CD1 4.43Å; F80-L86 HydrophobicContact CG-CB 4.23Å; N82-L86 PolarHBondContact O-N 3.15Å; Y84-L86 VanDerWaalsContact C-N 3.34Å; L86-R88 VanDerWaalsContact C-N 3.28Å; L86-R88 PolarHBondContact O-N 3.18Å; L86-H89 CarbonylContact O-C 3.59Å; L86-H89 WeakPolarHBondContact O-CA 3.48Å; L86-H89 PolarHBondContact O-N 3.09Å; L86-Q90 HydrophobicContact CD1-CG 3.9Å; L86-Q90 HydrophobicContact CG-CG 4.43Å; L86-Q90 WeakPolarHBondContact O-CG 3.43Å; L86-Q90 PolarHBondContact O-N 2.96Å |
| 87 | R | 78 | Confident | 75.8 | Confident | 179 Ų | 179 | 94.5 Ų | 94.5 | 68% | 0.675 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -60 | -37.8 | 179.7 | -176 | 175.1 | -70.1 | -155.3 | -3.3 | 112.1 | S83 Y84 S91 M98 | S83-R87 VanDerWaalsContact O-CB 3.31Å; S83-R87 WeakPolarHBondContact O-CB 3.44Å; S83-R87 PolarHBondContact O-N 2.91Å; Y84-R87 PolarHBondContact O-N 3.16Å; R87-S91 PolarHBondContact O-N 2.77Å; R87-S91 VanDerWaalsContact O-N 3.16Å; R87-M98 HydrophobicContact CG-CE 4.47Å |
| 88 | R | 77.9 | Confident | 74.4 | Confident | 141 Ų | 141 | 93.5 Ų | 93.5 | 53% | 0.532 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -65.3 | -40.3 | 173.3 | -171.7 | 178.7 | 175.7 | -149.3 | -3.6 | 111.9 | Y84 N85 L86 S91 M98 | Y84-R88 WeakPolarHBondContact O-CB 3.46Å; Y84-R88 PolarHBondContact O-N 2.97Å; N85-R88 PolarHBondContact O-N 3.07Å; L86-R88 VanDerWaalsContact C-N 3.28Å; L86-R88 PolarHBondContact O-N 3.18Å; R88-S91 PolarHBondContact O-N 3.4Å; R88-S91 PolarHBondContact O-OG 3.33Å; R88-M98 HydrophobicContact CB-CE 4.14Å; R88-M98 HydrophobicContact CG-CE 4.42Å |
| 89 | H | 83.6 | Confident | 72.7 | Confident | 41 Ų | 41 | 96 Ų | 96 | 19% | 0.19 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -69.8 | -42 | 176 | -172 | 61.2 | 0 | 0 | 0 | 112.7 | C76 F80 N85 L86 S91 V92 H93 | C76-H89 PolarHBondContact SG-NE2 3.42Å; F80-H89 HydrophobicContact CE1-CB 3.87Å; F80-H89 HydrophobicContact CE2-CB 3.84Å; F80-H89 AromaticContact CE2-CD2 3.49Å; F80-H89 VanDerWaalsContact CE2-CD2 3.49Å; F80-H89 WeakPolarHBondContact CE2-CD2 3.49Å; F80-H89 AromaticContact CE2-CG 3.78Å; F80-H89 HydrophobicContact CZ-CB 3.44Å; F80-H89 VanDerWaalsContact CZ-CB 3.44Å; F80-H89 AromaticContact CZ-CD2 3.32Å; F80-H89 WeakPolarHBondContact CZ-CD2 3.26Å; F80-H89 AromaticContact CZ-CG 3.25Å; F80-H89 AromaticContact CZ-ND1 3.92Å; N85-H89 WeakPolarHBondContact O-CB 3.5Å; N85-H89 PolarHBondContact O-N 3.44Å; L86-H89 CarbonylContact O-C 3.59Å; L86-H89 WeakPolarHBondContact O-CA 3.48Å; L86-H89 PolarHBondContact O-N 3.09Å; H89-S91 PolarHBondContact O-N 2.88Å; H89-V92 VanDerWaalsContact O-CB 3.26Å; H89-V92 WeakPolarHBondContact O-CB 3.32Å; H89-V92 PolarHBondContact O-N 3.16Å; H89-H93 AromaticContact CD2-NE2 3.5Å; H89-H93 AromaticContact CE1-NE2 3.68Å; H89-H93 AromaticContact NE2-CD2 3.98Å; H89-H93 AromaticContact NE2-CE1 3.83Å; H89-H93 AromaticContact NE2-NE2 3.02Å; H89-H93 PolarHBondContact NE2-NE2 3.27Å |
| 90 | Q | 81.3 | Confident | 71 | Confident | 64 Ų | 64 | 93.4 Ų | 93.4 | 30% | 0.299 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -56.7 | -37.2 | 174.3 | -74.1 | 170.5 | -38.9 | 0 | 0 | 112 | L86 V92 H93 T94 | L86-Q90 HydrophobicContact CD1-CG 3.9Å; L86-Q90 HydrophobicContact CG-CG 4.43Å; L86-Q90 WeakPolarHBondContact O-CG 3.43Å; L86-Q90 PolarHBondContact O-N 2.96Å; Q90-V92 PolarHBondContact O-N 3.31Å; Q90-V92 VanDerWaalsContact O-N 3.17Å; Q90-H93 PolarHBondContact O-N 3.35Å; Q90-H93 VanDerWaalsContact O-N 3.11Å; Q90-T94 PolarHBondContact O-N 3.1Å; Q90-T94 PolarHBondContact O-OG1 3.48Å |
| 91 | S | 80.3 | Confident | 69.5 | Low | 34 Ų | 34 | 98.1 Ų | 98.1 | 24% | 0.238 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -65.1 | -14.5 | 175.2 | 73.5 | 0 | 0 | 0 | 0 | 115 | R87 R88 H89 | R87-S91 PolarHBondContact O-N 2.77Å; R87-S91 VanDerWaalsContact O-N 3.16Å; R88-S91 PolarHBondContact O-N 3.4Å; R88-S91 PolarHBondContact O-OG 3.33Å; H89-S91 PolarHBondContact O-N 2.88Å |
| 92 | V | 79.3 | Confident | 68.4 | Low | 105 Ų | 105 | 91.4 Ų | 91.4 | 64% | 0.636 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -77.2 | -42.3 | 171.6 | -174 | 0 | 0 | 0 | 0 | 110.5 | H89 Q90 | H89-V92 VanDerWaalsContact O-CB 3.26Å; H89-V92 WeakPolarHBondContact O-CB 3.32Å; H89-V92 PolarHBondContact O-N 3.16Å; Q90-V92 PolarHBondContact O-N 3.31Å; Q90-V92 VanDerWaalsContact O-N 3.17Å |
| 93 | H | 75.7 | Confident | 66.9 | Low | 78 Ų | 78 | 91.3 Ų | 91.3 | 36% | 0.361 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -69.9 | -34.1 | 179.3 | -62.6 | -61.6 | 0 | 0 | 0 | 113 | T75 C76 H89 Q90 | T75-H93 HydrophobicContact CG2-CB 4.02Å; C76-H93 PolarHBondContact SG-NE2 3.48Å; C76-H93 VanDerWaalsContact SG-NE2 3.44Å; H89-H93 AromaticContact CD2-NE2 3.5Å; H89-H93 AromaticContact CE1-NE2 3.68Å; H89-H93 AromaticContact NE2-CD2 3.98Å; H89-H93 AromaticContact NE2-CE1 3.83Å; H89-H93 AromaticContact NE2-NE2 3.02Å; H89-H93 PolarHBondContact NE2-NE2 3.27Å; Q90-H93 PolarHBondContact O-N 3.35Å; Q90-H93 VanDerWaalsContact O-N 3.11Å |
| 94 | T | 71.1 | Confident | 65.6 | Low | 85 Ų | 85 | 95.2 Ų | 95.2 | 52% | 0.521 | 48% | 0.477 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -11.6 | -176.8 | 55.8 | 0 | 0 | 0 | 0 | 114.7 | Q90 V96 | Q90-T94 PolarHBondContact O-N 3.1Å; Q90-T94 PolarHBondContact O-OG1 3.48Å; T94-V96 PolarHBondContact O-N 3.4Å |
| 95 | G | 54.5 | Low | 64.1 | Low | 64 Ų | 64 | 96.1 Ų | 96.1 | 66% | 0.66 | 49% | 0.487 | S | S | * | . | trans | 65.9 | -27.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | K97 | G95-K97 PolarHBondContact O-N 3.11Š| ||
| 96 | V | 55.5 | Low | 62.9 | Low | 68 Ų | 68 | 101.5 Ų | 101.5 | 41% | 0.412 | 51% | 0.508 | S | S | . | . | trans | -68.6 | 121.1 | 179.4 | 177.3 | 0 | 0 | 0 | 0 | 110.8 | T94 D100 | T94-V96 PolarHBondContact O-N 3.4Å; V96-D100 HydrophobicContact CG1-CB 4.27Å | ||
| 97 | K | 48.1 | Very low | 61.1 | Low | 167 Ų | 167 | 107 Ų | 107 | 73% | 0.726 | 53% | 0.533 | S | S | * | . | trans | -62.5 | 142.3 | 173.8 | -70.4 | 165.4 | -177.2 | 160.9 | 0 | 109.7 | G95 K99 D100 | G95-K97 PolarHBondContact O-N 3.11Å; K97-K99 PolarHBondContact O-N 3.17Å; K97-D100 PolarHBondContact O-N 3.17Å; K97-D100 VanDerWaalsContact O-N 3.12Å | ||
| 98 | M | 52.4 | Low | 59.4 | Low | 103 Ų | 103 | 104.7 Ų | 104.7 | 51% | 0.507 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -55.9 | -13.5 | -176.2 | -74.5 | -175.9 | 167.7 | 0 | 0 | 115.9 | R87 R88 | R87-M98 HydrophobicContact CG-CE 4.47Å; R88-M98 HydrophobicContact CB-CE 4.14Å; R88-M98 HydrophobicContact CG-CE 4.42Å |
| 99 | K | 48.3 | Very low | 57.5 | Low | 181 Ų | 181 | 100.8 Ų | 100.8 | 79% | 0.787 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -71.7 | -33.5 | 179.4 | -167.8 | -176.9 | 177.6 | -165.7 | 0 | 112 | K97 | K97-K99 PolarHBondContact O-N 3.17Å |
| 100 | D | 45.4 | Very low | 55.5 | Low | 85 Ų | 85 | 102.8 Ų | 102.8 | 46% | 0.455 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -98.9 | -19.3 | -160.4 | -46.7 | -68.7 | 0 | 0 | 0 | 112.3 | V96 K97 A102 A103 | V96-D100 HydrophobicContact CG1-CB 4.27Å; K97-D100 PolarHBondContact O-N 3.17Å; K97-D100 VanDerWaalsContact O-N 3.12Å; D100-A102 PolarHBondContact O-N 2.94Å; D100-A103 PolarHBondContact O-N 3.48Å |
| 101 | R | 52.3 | Low | 53.5 | Low | 147 Ų | 147 | 109.7 Ų | 109.7 | 56% | 0.555 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -62.5 | -41.4 | 174.1 | -167.1 | 72.4 | -166.5 | -162.2 | 2.8 | 112.5 | A103 R104 D105 | R101-A103 PolarHBondContact O-N 3.33Å; R101-R104 PolarHBondContact O-N 2.98Å; R101-D105 IonicContact NE-OD2 3.42Å; R101-D105 PolarHBondContact NE-OD2 3.36Å; R101-D105 PolarHBondContact O-N 2.82Å; R101-D105 VanDerWaalsContact O-N 3.09Å |
| 102 | A | 49.8 | Very low | 51.5 | Low | 74 Ų | 74 | 112.6 Ų | 112.6 | 61% | 0.612 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -71.4 | -6.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | D100 | D100-A102 PolarHBondContact O-N 2.94Å |
| 103 | A | 48.7 | Very low | 49.3 | Very low | 57 Ų | 57 | 111.4 Ų | 111.4 | 47% | 0.471 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -84.4 | -46.4 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | D100 R101 D105 K106 | D100-A103 PolarHBondContact O-N 3.48Å; R101-A103 PolarHBondContact O-N 3.33Å; A103-D105 PolarHBondContact O-N 3.2Å; A103-K106 WeakPolarHBondContact O-CB 3.36Å; A103-K106 PolarHBondContact O-N 3.33Å |
| 104 | R | 51.9 | Low | 47.2 | Very low | 157 Ų | 157 | 117.8 Ų | 117.8 | 59% | 0.592 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -64.9 | -39.5 | -177.1 | -160.6 | 169.4 | -175.6 | 141.4 | -0 | 113.5 | R101 K106 E107 D108 | R101-R104 PolarHBondContact O-N 2.98Å; R104-K106 PolarHBondContact O-N 3.02Å; R104-E107 PolarHBondContact O-N 3.18Å; R104-D108 PolarHBondContact O-N 3.34Å |
| 105 | D | 50.2 | Low | 45.5 | Very low | 107 Ų | 107 | 122 Ų | 122 | 57% | 0.572 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -62 | -9.1 | 171.8 | -79 | -101.9 | 0 | 0 | 0 | 113.6 | R101 A103 | R101-D105 IonicContact NE-OD2 3.42Å; R101-D105 PolarHBondContact NE-OD2 3.36Å; R101-D105 PolarHBondContact O-N 2.82Å; R101-D105 VanDerWaalsContact O-N 3.09Å; A103-D105 PolarHBondContact O-N 3.2Å |
| 106 | K | 51.2 | Low | 44.5 | Very low | 174 Ų | 174 | 125.5 Ų | 125.5 | 76% | 0.757 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -93.2 | -19.7 | 167.6 | -82.6 | -169.3 | 164.3 | -160.4 | 0 | 114.3 | A103 R104 | A103-K106 WeakPolarHBondContact O-CB 3.36Å; A103-K106 PolarHBondContact O-N 3.33Å; R104-K106 PolarHBondContact O-N 3.02Å |
| 107 | E | 46.7 | Very low | 43.4 | Very low | 136 Ų | 136 | 132.3 Ų | 132.3 | 64% | 0.636 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -85.6 | -42.6 | -176.4 | -64.7 | 175.2 | 122.4 | 0 | 0 | 110.9 | R104 G109 A110 | R104-E107 PolarHBondContact O-N 3.18Å; E107-G109 PolarHBondContact O-N 2.94Å; E107-A110 WeakPolarHBondContact O-CB 3.43Å; E107-A110 PolarHBondContact O-N 3.22Å |
| 108 | D | 42.3 | Very low | 42.5 | Very low | 131 Ų | 131 | 130.7 Ų | 130.7 | 70% | 0.701 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -62.9 | -27.4 | 173.5 | -81.3 | -72.1 | 0 | 0 | 0 | 112.8 | R104 A110 | R104-D108 PolarHBondContact O-N 3.34Å; D108-A110 VanDerWaalsContact C-N 3.27Å; D108-A110 PolarHBondContact O-N 3.44Å |
| 109 | G | 38.9 | Very low | 41.3 | Very low | 59 Ų | 59 | 131.4 Ų | 131.4 | 61% | 0.608 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -73 | -9.7 | 177 | 0 | 0 | 0 | 0 | 0 | 115.4 | E107 | E107-G109 PolarHBondContact O-N 2.94Š|
| 110 | A | 40.6 | Very low | 40.7 | Very low | 83 Ų | 83 | 129.4 Ų | 129.4 | 69% | 0.686 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -89.1 | 3.1 | -169.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | E107 D108 | E107-A110 WeakPolarHBondContact O-CB 3.43Å; E107-A110 PolarHBondContact O-N 3.22Å; D108-A110 VanDerWaalsContact C-N 3.27Å; D108-A110 PolarHBondContact O-N 3.44Å |
| 111 | K | 40.3 | Very low | 40.2 | Very low | 208 Ų | 208 | 130.8 Ų | 130.8 | 90% | 0.904 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -105.4 | 7.6 | -174.8 | -74.8 | -170 | 175.1 | -177.8 | 0 | 115.9 | ||
| 112 | A | 39.2 | Very low | 39.2 | Very low | 95 Ų | 95 | 131.6 Ų | 131.6 | 79% | 0.785 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -121.5 | 125.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 113 | G | 31.5 | Very low | 38.4 | Very low | 81 Ų | 81 | 133 Ų | 133 | 84% | 0.835 | 73% | 0.733 | S | S | * | * | trans | 105.1 | 58.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | L115 | G113-L115 PolarHBondContact O-N 3.19Š| ||
| 114 | R | 32.6 | Very low | 37.6 | Very low | 212 Ų | 212 | 137.2 Ų | 137.2 | 80% | 0.8 | 75% | 0.747 | S | S | * | * | trans | -76.2 | 111.3 | 158.8 | 177.3 | -175.1 | 175.4 | -169.6 | -0.5 | 109 | E116 | R114-E116 IonicContact CZ-OE1 2.81Å; R114-E116 VanDerWaalsContact CZ-OE1 3.24Å; R114-E116 IonicContact NE-OE1 3.43Å; R114-E116 PolarHBondContact NE-OE1 3.28Å; R114-E116 IonicContact NH2-OE1 2.84Å; R114-E116 PolarHBondContact NH2-OE1 2.83Å | ||
| 115 | L | 34.1 | Very low | 36.7 | Very low | 174 Ų | 174 | 138.1 Ų | 138.1 | 91% | 0.911 | 76% | 0.762 | S | S | * | * | trans | -145.2 | 144.8 | 151.3 | -147.4 | 75.9 | 0 | 0 | 0 | 109.4 | G113 | G113-L115 PolarHBondContact O-N 3.19Š| ||
| 116 | E | 35.3 | Very low | 36 | Very low | 136 Ų | 136 | 141.3 Ų | 141.3 | 64% | 0.636 | 77% | 0.774 | S | S | * | * | trans | -98.5 | 146.9 | -160.7 | -68.1 | 164.3 | 180 | 0 | 0 | 112.5 | R114 | R114-E116 IonicContact CZ-OE1 2.81Å; R114-E116 VanDerWaalsContact CZ-OE1 3.24Å; R114-E116 IonicContact NE-OE1 3.43Å; R114-E116 PolarHBondContact NE-OE1 3.28Å; R114-E116 IonicContact NH2-OE1 2.84Å; R114-E116 PolarHBondContact NH2-OE1 2.83Å | ||
| 117 | K | 31.4 | Very low | 35 | Very low | 212 Ų | 212 | 141 Ų | 141 | 92% | 0.922 | 78% | 0.779 | S | S | * | * | trans | -159 | 131 | 158.4 | -109.5 | 154.6 | -170.8 | 177.2 | 0 | 110.1 | ||||
| 118 | T | 29.1 | Very low | 34.2 | Very low | 133 Ų | 133 | 140.8 Ų | 140.8 | 82% | 0.816 | 79% | 0.788 | S | S | * | * | trans | -94 | 157.7 | -171.3 | 22.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 119 | T | 28.6 | Very low | 33.9 | Very low | 117 Ų | 117 | 141.6 Ų | 141.6 | 72% | 0.718 | 79% | 0.791 | S | S | * | * | trans | 17.1 | 133.3 | 142.5 | -22.3 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 120 | I | 33.8 | Very low | 33.6 | Very low | 139 Ų | 139 | 145 Ų | 145 | 71% | 0.713 | 80% | 0.803 | S | S | * | * | -158.8 | 145.9 | 58.5 | -68.1 | 151.5 | 0 | 0 | 0 | 110.5 | L122 | I120-L122 HydrophobicContact CG2-CD1 4.08Š| |||
| 121 | P | 35.2 | Very low | 33.2 | Very low | 114 Ų | 114 | 144.8 Ų | 144.8 | 74% | 0.74 | 80% | 0.801 | S | S | * | * | trans | -86.2 | 132.4 | 165.1 | 33.8 | -31.5 | 0 | 0 | 0 | 112.2 | ||||
| 122 | L | 31.3 | Very low | 33.1 | Very low | 164 Ų | 164 | 142.6 Ų | 142.6 | 86% | 0.859 | 79% | 0.794 | S | S | * | * | trans | -100.5 | 125 | 168.1 | -106.9 | 71.5 | 0 | 0 | 0 | 111.1 | I120 | I120-L122 HydrophobicContact CG2-CD1 4.08Š| ||
| 123 | S | 32.8 | Very low | 33 | Very low | 105 Ų | 105 | 143.6 Ų | 143.6 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | trans | -112.8 | 167.1 | 164.1 | -68.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 124 | L | 32.4 | Very low | 33.3 | Very low | 145 Ų | 145 | 147.1 Ų | 147.1 | 76% | 0.759 | 79% | 0.791 | S | S | * | * | trans | 76.1 | 99.7 | 174.2 | -48.6 | 176.3 | 0 | 0 | 0 | 116.5 | ||||
| 125 | L | 34.1 | Very low | 34 | Very low | 176 Ų | 176 | 142.1 Ų | 142.1 | 92% | 0.921 | 79% | 0.786 | S | S | * | * | -126.3 | 130 | 121.7 | -91.8 | 102.7 | 0 | 0 | 0 | 108.5 | |||||
| 126 | Q | 34.1 | Very low | 34.6 | Very low | 173 Ų | 173 | 139.9 Ų | 139.9 | 81% | 0.808 | 78% | 0.782 | S | S | * | * | trans | -104.4 | 145.9 | 166.9 | -62.7 | 171.4 | -85.5 | 0 | 0 | 107.9 | ||||
| 127 | L | 31.1 | Very low | 34.7 | Very low | 167 Ų | 167 | 138.4 Ų | 138.4 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | trans | -145.9 | 148 | 161.5 | -104.1 | 162 | 0 | 0 | 0 | 108.9 | ||||
| 128 | T | 30.2 | Very low | 34.5 | Very low | 133 Ų | 133 | 132.3 Ų | 132.3 | 82% | 0.816 | 79% | 0.79 | S | S | * | * | trans | -104.3 | 161.7 | -154.6 | 16.6 | 0 | 0 | 0 | 0 | 115 | ||||
| 129 | L | 35.1 | Very low | 34.6 | Very low | 148 Ų | 148 | 130.6 Ų | 130.6 | 78% | 0.775 | 79% | 0.79 | S | S | * | * | trans | -67.9 | 160.3 | 171.1 | -81.8 | 73.9 | 0 | 0 | 0 | 112.3 | ||||
| 130 | P | 33.6 | Very low | 35.9 | Very low | 130 Ų | 130 | 130.5 Ų | 130.5 | 84% | 0.844 | 79% | 0.791 | S | S | * | * | -109.3 | 169.4 | 119 | 33.8 | -34.5 | 0 | 0 | 0 | 111.6 | |||||
| 131 | A | 32.4 | Very low | 35.6 | Very low | 78 Ų | 78 | 131.5 Ų | 131.5 | 65% | 0.645 | 80% | 0.798 | S | S | * | * | trans | -143.5 | 157.1 | -159.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 132 | Q | 37.9 | Very low | 35.4 | Very low | 163 Ų | 163 | 129.9 Ų | 129.9 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | trans | 71 | 162.2 | 159.7 | -70 | -63.6 | 7.6 | 0 | 0 | 116.3 | ||||
| 133 | P | 36.4 | Very low | 35.3 | Very low | 116 Ų | 116 | 130.5 Ų | 130.5 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | cis | -133.2 | 159.6 | 23.3 | 41.3 | -23.9 | 0 | 0 | 0 | 120.1 | ||||
| 134 | L | 37.6 | Very low | 35.1 | Very low | 154 Ų | 154 | 129.5 Ų | 129.5 | 81% | 0.806 | 80% | 0.796 | S | S | * | * | trans | -101.9 | 142.4 | 149.5 | -85.5 | 161.3 | 0 | 0 | 0 | 109.2 | ||||
| 135 | P | 46.6 | Very low | 35.9 | Very low | 108 Ų | 108 | 128.3 Ų | 128.3 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | -151.6 | -177.5 | 122.4 | 39.6 | -23.9 | 0 | 0 | 0 | 113.4 | |||||
| 136 | P | 48.5 | Very low | 35.6 | Very low | 126 Ų | 126 | 128.4 Ų | 128.4 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | cis | -124.1 | 179.6 | -30.2 | 27.2 | -7.7 | 0 | 0 | 0 | 112.2 | ||||
| 137 | A | 35.7 | Very low | 35.4 | Very low | 106 Ų | 106 | 125 Ų | 125 | 88% | 0.876 | 80% | 0.798 | S | S | * | * | trans | -116.4 | 146.2 | 156.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 138 | G | 28.6 | Very low | 35.2 | Very low | 83 Ų | 83 | 120.1 Ų | 120.1 | 86% | 0.856 | 79% | 0.788 | S | S | * | * | trans | -161.4 | 140.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 139 | A | 30.2 | Very low | 35.3 | Very low | 98 Ų | 98 | 122.7 Ų | 122.7 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | trans | -142.4 | -170.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 140 | P | 56.6 | Low | 35 | Very low | 115 Ų | 115 | 122.7 Ų | 122.7 | 75% | 0.747 | 79% | 0.792 | S | S | * | * | cis | -118.2 | -174.9 | -23.8 | 40.4 | -27.5 | 0 | 0 | 0 | 110.7 | ||||
| 141 | D | 27.1 | Very low | 34.9 | Very low | 160 Ų | 160 | 120.3 Ų | 120.3 | 86% | 0.856 | 78% | 0.783 | S | S | * | * | -164.2 | 174.8 | 121.5 | -133.3 | -51.3 | 0 | 0 | 0 | 111.4 | |||||
| 142 | A | 31.4 | Very low | 34.9 | Very low | 79 Ų | 79 | 125.4 Ų | 125.4 | 65% | 0.653 | 79% | 0.793 | S | S | * | * | trans | -116.5 | 156.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 143 | L | 28.5 | Very low | 34.8 | Very low | 178 Ų | 178 | 122.7 Ų | 122.7 | 93% | 0.932 | 79% | 0.79 | S | S | * | * | trans | -175.8 | 158.2 | 133.8 | -99.8 | 165 | 0 | 0 | 0 | 111.1 | ||||
| 144 | A | 29.5 | Very low | 34.4 | Very low | 84 Ų | 84 | 125.9 Ų | 125.9 | 69% | 0.694 | 80% | 0.8 | S | S | * | * | trans | -140 | -174.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 145 | P | 47.8 | Very low | 34.1 | Very low | 119 Ų | 119 | 123.8 Ų | 123.8 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | cis | -129.6 | -170.3 | -8.9 | 42.6 | -27.2 | 0 | 0 | 0 | 112.6 | ||||
| 146 | L | 28.7 | Very low | 33.5 | Very low | 179 Ų | 179 | 124.7 Ų | 124.7 | 94% | 0.937 | 80% | 0.801 | S | S | * | * | trans | -159.5 | 166 | 139.6 | -108.4 | 173.4 | 0 | 0 | 0 | 110 | ||||
| 147 | A | 29.1 | Very low | 32.6 | Very low | 101 Ų | 101 | 124.3 Ų | 124.3 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | trans | -129.7 | 159.6 | -163.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 148 | G | 27.9 | Very low | 32.7 | Very low | 64 Ų | 64 | 126.4 Ų | 126.4 | 66% | 0.66 | 80% | 0.796 | S | S | * | * | trans | 166.7 | 105.3 | 165.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 149 | Q | 32.9 | Very low | 33 | Very low | 187 Ų | 187 | 126.8 Ų | 126.8 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | trans | 68 | 119.5 | 135.5 | -65.3 | 171.7 | 72 | 0 | 0 | 123 | ||||
| 150 | D | 28.3 | Very low | 33.3 | Very low | 149 Ų | 149 | 128 Ų | 128 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | 57.7 | 115.4 | 128.5 | -73.3 | -98.1 | 0 | 0 | 0 | 126.9 | |||||
| 151 | A | 30.6 | Very low | 32.1 | Very low | 79 Ų | 79 | 127.1 Ų | 127.1 | 65% | 0.653 | 79% | 0.793 | S | S | * | * | 63.8 | 98.4 | 114 | 0 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 152 | Q | 32 | Very low | 32.4 | Very low | 185 Ų | 185 | 125.9 Ų | 125.9 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | trans | 65.5 | -173.9 | 141.5 | -52.7 | -154 | -8 | 0 | 0 | 117.8 | ||||
| 153 | P | 37.4 | Very low | 32.5 | Very low | 106 Ų | 106 | 128.2 Ų | 128.2 | 69% | 0.688 | 80% | 0.797 | S | S | * | * | -125.1 | 145.6 | -84.7 | 37.2 | -22.8 | 0 | 0 | 0 | 113.9 | |||||
| 154 | L | 28.1 | Very low | 32.7 | Very low | 184 Ų | 184 | 125.9 Ų | 125.9 | 96% | 0.963 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -97 | 140.2 | 172.9 | -66.9 | 179.4 | 0 | 0 | 0 | 112.4 | ||
| 155 | S | 30.5 | Very low | 32.8 | Very low | 109 Ų | 109 | 130.3 Ų | 130.3 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -99.9 | 161.5 | -164.9 | 51.7 | 0 | 0 | 0 | 0 | 113.7 | ||
| 156 | V | 34.8 | Very low | 32 | Very low | 128 Ų | 128 | 129.5 Ų | 129.5 | 78% | 0.776 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -99 | 121.4 | 175 | 178.9 | 0 | 0 | 0 | 0 | 109.3 | I158 | V156-I158 HydrophobicContact CG1-CD1 4.4Å; V156-I158 HydrophobicContact CG1-CG1 4.17Å |
| 157 | S | 29.5 | Very low | 32.5 | Very low | 117 Ų | 117 | 125.7 Ų | 125.7 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -98.4 | 124 | 170.5 | -62.5 | 0 | 0 | 0 | 0 | 111.1 | ||
| 158 | I | 37.5 | Very low | 33.3 | Very low | 150 Ų | 150 | 126.3 Ų | 126.3 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | trans | -123.4 | 124.9 | 167.9 | -62.9 | 173 | 0 | 0 | 0 | 106.6 | V156 | V156-I158 HydrophobicContact CG1-CD1 4.4Å; V156-I158 HydrophobicContact CG1-CG1 4.17Å | ||
| 159 | A | 34.3 | Very low | 33.8 | Very low | 91 Ų | 91 | 128.9 Ų | 128.9 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | trans | -82.6 | 137.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 160 | P | 37.5 | Very low | 34 | Very low | 125 Ų | 125 | 128.1 Ų | 128.1 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | trans | -78.8 | 134.8 | 174.1 | 31.7 | -33 | 0 | 0 | 0 | 111.2 | ||||
| 161 | A | 31.2 | Very low | 35.2 | Very low | 96 Ų | 96 | 126.2 Ų | 126.2 | 79% | 0.793 | 79% | 0.79 | S | S | * | * | trans | -109 | 117.3 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 162 | T | 32.1 | Very low | 35.4 | Very low | 133 Ų | 133 | 130 Ų | 130 | 82% | 0.816 | 80% | 0.798 | S | S | * | * | trans | -74.4 | 132.7 | -174.8 | -49.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 163 | V | 34.5 | Very low | 35.4 | Very low | 128 Ų | 128 | 129.2 Ų | 129.2 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | trans | -114.5 | 117.9 | 170.5 | 179.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 164 | T | 32 | Very low | 35 | Very low | 130 Ų | 130 | 128.7 Ų | 128.7 | 80% | 0.798 | 80% | 0.798 | S | S | * | * | trans | -77 | 129 | -178 | -50.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 165 | M | 31.6 | Very low | 35.3 | Very low | 176 Ų | 176 | 124.3 Ų | 124.3 | 87% | 0.867 | 79% | 0.789 | S | S | * | * | trans | -86.2 | 135.4 | 172.5 | -68.4 | -73.6 | -76.1 | 0 | 0 | 110.6 | ||||
| 166 | A | 32.1 | Very low | 35.3 | Very low | 103 Ų | 103 | 126.9 Ų | 126.9 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | trans | -110 | 145.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 167 | A | 39.2 | Very low | 35.4 | Very low | 98 Ų | 98 | 127 Ų | 127 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | trans | -98.1 | 165.3 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 168 | P | 45.3 | Very low | 35.7 | Very low | 115 Ų | 115 | 127.6 Ų | 127.6 | 75% | 0.747 | 79% | 0.791 | S | S | * | * | trans | -101.5 | 167.7 | -168.3 | 39.6 | -35.8 | 0 | 0 | 0 | 114.8 | ||||
| 169 | P | 38.6 | Very low | 35.5 | Very low | 118 Ų | 118 | 127 Ų | 127 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | trans | -106.2 | 158.3 | 159.2 | 37 | -29.3 | 0 | 0 | 0 | 113.5 | ||||
| 170 | Q | 37.6 | Very low | 35.4 | Very low | 171 Ų | 171 | 126.2 Ų | 126.2 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | trans | -137.8 | -171.2 | 173.1 | -71.2 | -74.2 | -11.2 | 0 | 0 | 108.1 | ||||
| 171 | P | 53.5 | Low | 35.1 | Very low | 108 Ų | 108 | 125.9 Ų | 125.9 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | -124.1 | 164.1 | -110.4 | 29 | -5.7 | 0 | 0 | 0 | 116.3 | |||||
| 172 | I | 33.3 | Very low | 35.7 | Very low | 160 Ų | 160 | 129.6 Ų | 129.6 | 82% | 0.821 | 80% | 0.799 | S | S | * | * | trans | -177.5 | 153.2 | 162.8 | -106.7 | 154.1 | 0 | 0 | 0 | 109.2 | ||||
| 173 | Q | 33.4 | Very low | 35.6 | Very low | 168 Ų | 168 | 132.7 Ų | 132.7 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | cis | -167.4 | 171.3 | -39 | -124.3 | -161.1 | 97.9 | 0 | 0 | 110.7 | ||||
| 174 | A | 29.3 | Very low | 35.6 | Very low | 94 Ų | 94 | 135.5 Ų | 135.5 | 78% | 0.777 | 81% | 0.808 | S | S | * | * | trans | 56.5 | 128 | 156.8 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 175 | A | 32.9 | Very low | 35.7 | Very low | 93 Ų | 93 | 136.8 Ų | 136.8 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | trans | -77.2 | 162.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 176 | I | 31.9 | Very low | 36.1 | Very low | 163 Ų | 163 | 133.5 Ų | 133.5 | 84% | 0.836 | 80% | 0.802 | S | S | * | * | trans | -132.1 | 143.8 | 149.2 | -59.3 | -179.8 | 0 | 0 | 0 | 107.8 | V178 | I176-V178 HydrophobicContact CG2-CG2 4.48Š| ||
| 177 | V | 36.4 | Very low | 36.3 | Very low | 129 Ų | 129 | 133.8 Ų | 133.8 | 78% | 0.782 | 80% | 0.798 | S | S | * | * | trans | -108.7 | 128 | 176.5 | -175.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 178 | V | 35.1 | Very low | 36.3 | Very low | 131 Ų | 131 | 135.2 Ų | 135.2 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | trans | -133.7 | 132.1 | 166.5 | 177.9 | 0 | 0 | 0 | 0 | 108.6 | I176 | I176-V178 HydrophobicContact CG2-CG2 4.48Š| ||
| 179 | V | 34.2 | Very low | 36 | Very low | 138 Ų | 138 | 134.8 Ų | 134.8 | 84% | 0.836 | 80% | 0.799 | S | S | * | * | trans | -85 | 134.5 | 174.5 | -72.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 180 | G | 31.4 | Very low | 36.2 | Very low | 73 Ų | 73 | 135 Ų | 135 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | trans | -146.2 | 137.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 181 | S | 30.8 | Very low | 36.5 | Very low | 119 Ų | 119 | 133.1 Ų | 133.1 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | trans | -84.1 | 165.7 | -165.1 | -62.9 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 182 | M | 43.5 | Very low | 36 | Very low | 174 Ų | 174 | 134 Ų | 134 | 86% | 0.857 | 81% | 0.806 | S | S | * | * | trans | -45.6 | 137.1 | 170.5 | 64 | -150.7 | 171.9 | 0 | 0 | 114.8 | ||||
| 183 | E | 29.9 | Very low | 36.4 | Very low | 198 Ų | 198 | 132 Ų | 132 | 93% | 0.925 | 80% | 0.797 | S | S | * | * | trans | -145.1 | 139.9 | 143.9 | -120.2 | -171.3 | 100.6 | 0 | 0 | 109.8 | ||||
| 184 | Q | 35 | Very low | 37.4 | Very low | 186 Ų | 186 | 129.7 Ų | 129.7 | 87% | 0.869 | 80% | 0.797 | S | S | * | * | trans | -102 | 92.9 | -172.8 | -67.1 | 179.3 | 7.1 | 0 | 0 | 110.1 | P186 | Q184-P186 WeakPolarHBondContact O-CD 3.44Š| ||
| 185 | N | 34.8 | Very low | 38.3 | Very low | 157 Ų | 157 | 131.8 Ų | 131.8 | 84% | 0.84 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 117.2 | 176.6 | -161.8 | -18.5 | 0 | 0 | 0 | 109.8 | ||
| 186 | P | 40.6 | Very low | 38.9 | Very low | 108 Ų | 108 | 135.6 Ų | 135.6 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 143 | -170.8 | 26.7 | -35 | 0 | 0 | 0 | 113.1 | Q184 | Q184-P186 WeakPolarHBondContact O-CD 3.44Š|
| 187 | S | 36.2 | Very low | 39.7 | Very low | 109 Ų | 109 | 134.6 Ų | 134.6 | 76% | 0.762 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 137.6 | -179.7 | -66 | 0 | 0 | 0 | 0 | 113 | S189 | S187-S189 PolarHBondContact O-N 2.85Š|
| 188 | P | 37.8 | Very low | 40.5 | Very low | 127 Ų | 127 | 137 Ų | 137 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 130.5 | 170.1 | 26.9 | -33.7 | 0 | 0 | 0 | 110 | ||
| 189 | S | 39.3 | Very low | 41.3 | Very low | 106 Ų | 106 | 139.7 Ų | 139.7 | 74% | 0.741 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -64 | 143.4 | -176.9 | -67.1 | 0 | 0 | 0 | 0 | 111.8 | S187 V191 | S187-S189 PolarHBondContact O-N 2.85Å; S189-V191 PolarHBondContact O-N 3.12Å; S189-V191 VanDerWaalsContact O-N 3.11Å |
| 190 | P | 43 | Very low | 43 | Very low | 122 Ų | 122 | 137.5 Ų | 137.5 | 79% | 0.792 | 78% | 0.777 | S | S | * | * | trans | -68.7 | 111.8 | -178.9 | 27.8 | -34 | 0 | 0 | 0 | 110.9 | ||||
| 191 | V | 43.9 | Very low | 45.2 | Very low | 133 Ų | 133 | 137 Ų | 137 | 81% | 0.806 | 76% | 0.755 | S | S | * | * | trans | -55.8 | 126.8 | 174.8 | -73.9 | 0 | 0 | 0 | 0 | 111.1 | S189 N193 | S189-V191 PolarHBondContact O-N 3.12Å; S189-V191 VanDerWaalsContact O-N 3.11Å; V191-N193 PolarHBondContact O-N 3.28Å | ||
| 192 | P | 43.1 | Very low | 47.7 | Very low | 127 Ų | 127 | 134 Ų | 134 | 83% | 0.825 | 74% | 0.737 | S | S | * | * | trans | -63.6 | 109.8 | 178.6 | -24.6 | 35.2 | 0 | 0 | 0 | 111.6 | P194 | P192-P194 WeakPolarHBondContact O-CD 3.33Š| ||
| 193 | N | 42.6 | Very low | 49.7 | Very low | 117 Ų | 117 | 126 Ų | 126 | 63% | 0.626 | 70% | 0.698 | S | S | * | * | trans | -65.7 | 120.2 | 177.3 | -179.2 | -18 | 0 | 0 | 0 | 110 | V191 N195 | V191-N193 PolarHBondContact O-N 3.28Å; N193-N195 PolarHBondContact O-N 2.88Å; N193-N195 WeakPolarHBondContact OD1-CB 3.24Å; N193-N195 PolarHBondContact OD1-N 3.42Å; N193-N195 VanDerWaalsContact OD1-N 3.1Å; N193-N195 PolarHBondContact OD1-ND2 3.31Å | ||
| 194 | P | 52.9 | Low | 52.1 | Low | 120 Ų | 120 | 126.2 Ų | 126.2 | 78% | 0.779 | 70% | 0.699 | S | S | * | * | trans | -73 | 8.7 | -174.8 | 30.8 | -36.8 | 0 | 0 | 0 | 114.5 | P192 Q196 | P192-P194 WeakPolarHBondContact O-CD 3.33Å; P194-Q196 VanDerWaalsContact C-N 3.34Å; P194-Q196 PolarHBondContact O-N 2.71Å | ||
| 195 | N | 48.5 | Very low | 54.2 | Low | 137 Ų | 137 | 120.8 Ų | 120.8 | 73% | 0.733 | 69% | 0.686 | S | S | * | * | trans | -69.7 | 90 | 172.9 | -84.9 | -92.7 | 0 | 0 | 0 | 111.4 | N193 | N193-N195 PolarHBondContact O-N 2.88Å; N193-N195 WeakPolarHBondContact OD1-CB 3.24Å; N193-N195 PolarHBondContact OD1-N 3.42Å; N193-N195 VanDerWaalsContact OD1-N 3.1Å; N193-N195 PolarHBondContact OD1-ND2 3.31Å | ||
| 196 | Q | 46.3 | Very low | 56.5 | Low | 174 Ų | 174 | 115.5 Ų | 115.5 | 81% | 0.813 | 66% | 0.661 | S | S | * | * | trans | -15.7 | 140.6 | 167.4 | -63.5 | 177.6 | -9.1 | 0 | 0 | 116.1 | P194 R198 | P194-Q196 VanDerWaalsContact C-N 3.34Å; P194-Q196 PolarHBondContact O-N 2.71Å; Q196-R198 PolarHBondContact O-N 2.79Å | ||
| 197 | V | 48.6 | Very low | 58.4 | Low | 142 Ų | 142 | 113.4 Ų | 113.4 | 86% | 0.861 | 66% | 0.659 | S | S | * | * | trans | -52.1 | 99.2 | 170.5 | -179.2 | 0 | 0 | 0 | 0 | 110.2 | K199 | V197-K199 PolarHBondContact O-N 3.15Š| ||
| 198 | R | 53.8 | Low | 60.7 | Low | 179 Ų | 179 | 113.9 Ų | 113.9 | 68% | 0.675 | 65% | 0.648 | S | S | * | * | trans | -56.4 | 117.5 | 170.8 | -87.2 | -176.2 | -88.7 | 146 | -10 | 107.9 | Q196 N200 | Q196-R198 PolarHBondContact O-N 2.79Å; R198-N200 PolarHBondContact O-N 2.94Å; R198-N200 PolarHBondContact O-ND2 3.28Å | ||
| 199 | K | 51 | Low | 63 | Low | 187 Ų | 187 | 110.6 Ų | 110.6 | 81% | 0.813 | 63% | 0.631 | S | S | * | * | trans | -64.2 | 83.6 | 174.7 | -114.7 | 173.9 | 179.8 | 171.6 | 0 | 108.8 | V197 H201 | V197-K199 PolarHBondContact O-N 3.15Å; K199-H201 PolarHBondContact O-CD2 3.18Å; K199-H201 VanDerWaalsContact O-CD2 3.23Å; K199-H201 PolarHBondContact O-N 3.36Å; K199-H201 VanDerWaalsContact O-N 3.13Å | ||
| 200 | N | 70.2 | Confident | 65.2 | Low | 92 Ų | 92 | 107.8 Ų | 107.8 | 49% | 0.492 | 61% | 0.606 | S | S | . | * | trans | -69 | 108.7 | -172.6 | -79.5 | -39.6 | 0 | 0 | 0 | 109.3 | R198 A202 A209 | R198-N200 PolarHBondContact O-N 2.94Å; R198-N200 PolarHBondContact O-ND2 3.28Å; N200-A202 PolarHBondContact O-N 2.89Å; N200-A209 HydrophobicContact CB-CB 3.9Å | ||
| 201 | H | 78.3 | Confident | 67.2 | Low | 64 Ų | 64 | 111 Ų | 111 | 30% | 0.296 | 60% | 0.602 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -73.8 | 89.9 | -180 | -68.5 | -75.7 | 0 | 0 | 0 | 109.4 | K199 F210 V213 L216 | K199-H201 PolarHBondContact O-CD2 3.18Å; K199-H201 VanDerWaalsContact O-CD2 3.23Å; K199-H201 PolarHBondContact O-N 3.36Å; K199-H201 VanDerWaalsContact O-N 3.13Å; H201-F210 PolarHBondContact N-O 2.93Å; H201-F210 PolarHBondContact O-N 3.49Å; H201-V213 WeakPolarHBondContact CE1-CG2 3.16Å; H201-L216 HydrophobicContact CB-CB 4.09Å; H201-L216 HydrophobicContact CB-CD2 3.86Å |
| 202 | A | 82.6 | Confident | 69.2 | Low | 55 Ų | 55 | 106.6 Ų | 106.6 | 46% | 0.455 | 57% | 0.574 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -76.6 | 142.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | N200 K208 | N200-A202 PolarHBondContact O-N 2.89Å; A202-K208 CarbonylContact C-O 3.33Å; A202-K208 WeakPolarHBondContact CA-O 3.32Å |
| 203 | C | 85.1 | Confident | 71.2 | Confident | 5 Ų | 5 | 104.8 Ų | 104.8 | 3% | 0.034 | 56% | 0.56 | C | S | . | * | trans | -87.3 | 106.9 | 171.9 | -170.7 | 0 | 0 | 0 | 0 | 110.5 | A205 C206 G207 K208 F210 L216 H219 | C203-A205 PolarHBondContact O-N 3.38Å; C203-C206 CarbonylContact O-C 3.57Å; C203-C206 PolarHBondContact O-N 2.91Å; C203-G207 WeakPolarHBondContact O-CA 3.31Å; C203-G207 PolarHBondContact O-N 3.11Å; C203-K208 PolarHBondContact N-O 2.8Å; C203-F210 HydrophobicContact CB-CE2 4.23Å; C203-L216 HydrophobicContact CB-CD1 3.56Å; C203-H219 VanDerWaalsContact SG-CD2 3.6Å | ||
| 204 | E | 80.9 | Confident | 73.2 | Confident | 203 Ų | 203 | 107 Ų | 107 | 95% | 0.949 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.3 | -31.1 | 179.1 | -59.2 | 172.2 | 161 | 0 | 0 | 113.7 | C206 | E204-C206 PolarHBondContact O-N 3.3Š|
| 205 | A | 79.8 | Confident | 74.7 | Confident | 72 Ų | 72 | 103.8 Ų | 103.8 | 60% | 0.595 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -12.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | C203 | C203-A205 PolarHBondContact O-N 3.38Š|
| 206 | C | 82.9 | Confident | 76.5 | Confident | 47 Ų | 47 | 98.5 Ų | 98.5 | 32% | 0.318 | 51% | 0.507 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -158.2 | 13.3 | -179.9 | 69.9 | 0 | 0 | 0 | 0 | 116.7 | C203 E204 K208 H219 H223 | C203-C206 CarbonylContact O-C 3.57Å; C203-C206 PolarHBondContact O-N 2.91Å; E204-C206 PolarHBondContact O-N 3.3Å; C206-K208 PolarHBondContact O-N 3.44Å; C206-K208 VanDerWaalsContact O-N 3.1Å; C206-H219 PolarHBondContact SG-NE2 3.42Å; C206-H223 WeakPolarHBondContact CB-NE2 3.33Å; C206-H223 PolarHBondContact SG-NE2 3.35Å |
| 207 | G | 80.8 | Confident | 78.2 | Confident | 63 Ų | 63 | 94 Ų | 94 | 65% | 0.649 | 49% | 0.488 | S | S | * | . | trans | 70.3 | -3.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | C203 A209 | C203-G207 WeakPolarHBondContact O-CA 3.31Å; C203-G207 PolarHBondContact O-N 3.11Å; G207-A209 PolarHBondContact O-N 3.43Å | ||
| 208 | K | 83.2 | Confident | 79.9 | Confident | 120 Ų | 120 | 91.8 Ų | 91.8 | 52% | 0.522 | 47% | 0.465 | S | S | . | . | trans | -71.9 | 118.7 | -172.5 | -69.7 | -179.4 | -175.9 | 179.1 | 0 | 112.2 | A202 C203 C206 F210 | A202-K208 CarbonylContact C-O 3.33Å; A202-K208 WeakPolarHBondContact CA-O 3.32Å; C203-K208 PolarHBondContact N-O 2.8Å; C206-K208 PolarHBondContact O-N 3.44Å; C206-K208 VanDerWaalsContact O-N 3.1Å; K208-F210 HydrophobicContact CB-CE2 3.69Å; K208-F210 HydrophobicContact CB-CZ 3.91Å; K208-F210 VanDerWaalsContact O-CD2 3.25Å; K208-F210 WeakPolarHBondContact O-CD2 3.08Å; K208-F210 WeakPolarHBondContact O-CE2 3.37Å | ||
| 209 | A | 86.8 | Confident | 81.3 | Confident | 58 Ų | 58 | 84.6 Ų | 84.6 | 48% | 0.479 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 139.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | N200 G207 | N200-A209 HydrophobicContact CB-CB 3.9Å; G207-A209 PolarHBondContact O-N 3.43Å |
| 210 | F | 86.1 | Confident | 82.8 | Confident | 47 Ų | 47 | 82.5 Ų | 82.5 | 21% | 0.206 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 151.5 | 171.4 | -62.6 | -84.5 | 0 | 0 | 0 | 110.9 | H201 C203 K208 D212 H215 L216 H219 | H201-F210 PolarHBondContact N-O 2.93Å; H201-F210 PolarHBondContact O-N 3.49Å; C203-F210 HydrophobicContact CB-CE2 4.23Å; K208-F210 HydrophobicContact CB-CE2 3.69Å; K208-F210 HydrophobicContact CB-CZ 3.91Å; K208-F210 VanDerWaalsContact O-CD2 3.25Å; K208-F210 WeakPolarHBondContact O-CD2 3.08Å; K208-F210 WeakPolarHBondContact O-CE2 3.37Å; F210-D212 PolarHBondContact O-N 3.26Å; F210-H215 HydrophobicContact CB-CB 4.04Å; F210-H215 HydrophobicContact CD1-CB 4.01Å; F210-H215 HydrophobicContact CG-CB 4.31Å; F210-L216 HydrophobicContact CB-CB 4.2Å; F210-L216 HydrophobicContact CD2-CB 4.08Å; F210-L216 HydrophobicContact CD2-CD1 3.96Å; F210-L216 HydrophobicContact CE2-CD1 4.34Å; F210-L216 HydrophobicContact CG-CB 4.35Å; F210-H219 HydrophobicContact CE1-CB 3.99Å; F210-H219 HydrophobicContact CE2-CB 3.84Å; F210-H219 AromaticContact CE2-CD2 3.2Å; F210-H219 WeakPolarHBondContact CE2-CD2 3.28Å; F210-H219 AromaticContact CE2-CG 3.63Å; F210-H219 HydrophobicContact CZ-CB 3.5Å; F210-H219 AromaticContact CZ-CD2 3.31Å; F210-H219 WeakPolarHBondContact CZ-CD2 3.36Å; F210-H219 AromaticContact CZ-CG 3.28Å |
| 211 | R | 85.1 | Confident | 83.3 | Confident | 189 Ų | 189 | 80.4 Ų | 80.4 | 71% | 0.713 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -66.9 | -23.8 | -178.2 | -171.3 | 177.6 | 67.4 | 176 | 4.4 | 113.4 | ||
| 212 | D | 85.6 | Confident | 83.3 | Confident | 41 Ų | 41 | 80.2 Ų | 80.2 | 22% | 0.219 | 42% | 0.42 | C | S | . | . | S | Bend | trans | -153.7 | 159.8 | -174.6 | 56 | 71.7 | 0 | 0 | 0 | 111.2 | F210 Y214 H215 L216 | F210-D212 PolarHBondContact O-N 3.26Å; D212-Y214 VanDerWaalsContact C-N 3.25Å; D212-Y214 PolarHBondContact O-N 2.89Å; D212-Y214 WeakPolarHBondContact OD1-CB 3.01Å; D212-Y214 PolarHBondContact OD1-N 2.81Å; D212-H215 PolarHBondContact O-N 2.93Å; D212-H215 WeakPolarHBondContact OD1-CB 3.18Å; D212-H215 IonicContact OD1-CG 2.79Å; D212-H215 PolarHBondContact OD1-N 2.91Å; D212-H215 IonicContact OD1-ND1 3.63Å; D212-H215 PolarHBondContact OD1-ND1 3.05Å; D212-H215 IonicContact OD2-CE1 3.39Å; D212-H215 IonicContact OD2-CG 2.67Å; D212-H215 IonicContact OD2-ND1 3.16Å; D212-H215 PolarHBondContact OD2-ND1 2.56Å; D212-L216 PolarHBondContact O-N 2.87Å; D212-L216 VanDerWaalsContact O-N 3.16Å |
| 213 | V | 85.3 | Confident | 83.1 | Confident | 89 Ų | 89 | 81.9 Ų | 81.9 | 54% | 0.539 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -60.7 | -33.4 | 179.6 | -177.6 | 0 | 0 | 0 | 0 | 112 | H201 L216 N217 | H201-V213 WeakPolarHBondContact CE1-CG2 3.16Å; V213-L216 PolarHBondContact O-N 3.24Å; V213-N217 WeakPolarHBondContact O-CB 3.35Å; V213-N217 PolarHBondContact O-N 3.48Å |
| 214 | Y | 84.4 | Confident | 82.5 | Confident | 164 Ų | 164 | 83.3 Ų | 83.3 | 64% | 0.643 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -65.4 | -45.3 | -179.5 | 169.5 | -107.1 | 0 | 0 | 0 | 111.7 | D212 N217 R218 | D212-Y214 VanDerWaalsContact C-N 3.25Å; D212-Y214 PolarHBondContact O-N 2.89Å; D212-Y214 WeakPolarHBondContact OD1-CB 3.01Å; D212-Y214 PolarHBondContact OD1-N 2.81Å; Y214-N217 PolarHBondContact O-N 3.36Å; Y214-R218 VanDerWaalsContact O-CB 3.29Å; Y214-R218 WeakPolarHBondContact O-CB 3.27Å; Y214-R218 PolarHBondContact O-N 2.74Å |
| 215 | H | 84.2 | Confident | 82.2 | Confident | 52 Ų | 52 | 77.9 Ų | 77.9 | 24% | 0.241 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -66.2 | -38.4 | 174.5 | -79.2 | 94.1 | 0 | 0 | 0 | 112.4 | F210 D212 R218 H219 | F210-H215 HydrophobicContact CB-CB 4.04Å; F210-H215 HydrophobicContact CD1-CB 4.01Å; F210-H215 HydrophobicContact CG-CB 4.31Å; D212-H215 PolarHBondContact O-N 2.93Å; D212-H215 WeakPolarHBondContact OD1-CB 3.18Å; D212-H215 IonicContact OD1-CG 2.79Å; D212-H215 PolarHBondContact OD1-N 2.91Å; D212-H215 IonicContact OD1-ND1 3.63Å; D212-H215 PolarHBondContact OD1-ND1 3.05Å; D212-H215 IonicContact OD2-CE1 3.39Å; D212-H215 IonicContact OD2-CG 2.67Å; D212-H215 IonicContact OD2-ND1 3.16Å; D212-H215 PolarHBondContact OD2-ND1 2.56Å; H215-R218 VanDerWaalsContact CD2-CZ 3.44Å; H215-R218 PolarHBondContact CD2-NH1 3.49Å; H215-R218 PolarHBondContact CD2-NH2 3.02Å; H215-R218 PolarHBondContact NE2-NH1 2.95Å; H215-R218 VanDerWaalsContact NE2-NH1 3.1Å; H215-H219 WeakPolarHBondContact O-CB 3.49Å; H215-H219 PolarHBondContact O-N 2.75Å |
| 216 | L | 86 | Confident | 81.9 | Confident | 25 Ų | 25 | 80.6 Ų | 80.6 | 13% | 0.131 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -59.9 | -50 | 170.4 | 171 | 59.3 | 0 | 0 | 0 | 111.1 | H201 C203 F210 D212 V213 R218 H219 R220 | H201-L216 HydrophobicContact CB-CB 4.09Å; H201-L216 HydrophobicContact CB-CD2 3.86Å; C203-L216 HydrophobicContact CB-CD1 3.56Å; F210-L216 HydrophobicContact CB-CB 4.2Å; F210-L216 HydrophobicContact CD2-CB 4.08Å; F210-L216 HydrophobicContact CD2-CD1 3.96Å; F210-L216 HydrophobicContact CE2-CD1 4.34Å; F210-L216 HydrophobicContact CG-CB 4.35Å; D212-L216 PolarHBondContact O-N 2.87Å; D212-L216 VanDerWaalsContact O-N 3.16Å; V213-L216 PolarHBondContact O-N 3.24Å; L216-R218 PolarHBondContact O-N 2.89Å; L216-H219 CarbonylContact O-C 3.45Å; L216-H219 WeakPolarHBondContact O-CA 3.38Å; L216-H219 WeakPolarHBondContact O-CB 3.19Å; L216-H219 PolarHBondContact O-N 3.16Å; L216-R220 HydrophobicContact CD1-CG 4.26Å; L216-R220 WeakPolarHBondContact O-CG 3.34Å; L216-R220 PolarHBondContact O-N 3.23Å |
| 217 | N | 82.8 | Confident | 81.8 | Confident | 79 Ų | 79 | 82.7 Ų | 82.7 | 42% | 0.422 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -67.4 | -38.6 | -177.3 | -159.2 | 31.6 | 0 | 0 | 0 | 112 | V213 Y214 H219 R220 L221 | V213-N217 WeakPolarHBondContact O-CB 3.35Å; V213-N217 PolarHBondContact O-N 3.48Å; Y214-N217 PolarHBondContact O-N 3.36Å; N217-H219 PolarHBondContact O-N 2.6Å; N217-R220 WeakPolarHBondContact O-CB 3.01Å; N217-R220 PolarHBondContact O-N 3.24Å; N217-R220 VanDerWaalsContact O-N 3.11Å; N217-R220 PolarHBondContact OD1-NH1 2.89Å; N217-L221 PolarHBondContact O-N 3.04Å |
| 218 | R | 82.4 | Confident | 81.8 | Confident | 97 Ų | 97 | 83.3 Ų | 83.3 | 37% | 0.366 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -59.9 | -27.6 | 169.7 | -163.8 | -173.6 | 78.6 | -163.6 | 1.5 | 112.4 | Y214 H215 L216 | Y214-R218 VanDerWaalsContact O-CB 3.29Å; Y214-R218 WeakPolarHBondContact O-CB 3.27Å; Y214-R218 PolarHBondContact O-N 2.74Å; H215-R218 VanDerWaalsContact CD2-CZ 3.44Å; H215-R218 PolarHBondContact CD2-NH1 3.49Å; H215-R218 PolarHBondContact CD2-NH2 3.02Å; H215-R218 PolarHBondContact NE2-NH1 2.95Å; H215-R218 VanDerWaalsContact NE2-NH1 3.1Å; L216-R218 PolarHBondContact O-N 2.89Å |
| 219 | H | 84 | Confident | 81.7 | Confident | 27 Ų | 27 | 81.7 Ų | 81.7 | 13% | 0.125 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -84.3 | -32.3 | 173 | 174.9 | 56.1 | 0 | 0 | 0 | 113.4 | C203 C206 F210 H215 L216 N217 L221 S222 | C203-H219 VanDerWaalsContact SG-CD2 3.6Å; C206-H219 PolarHBondContact SG-NE2 3.42Å; F210-H219 HydrophobicContact CE1-CB 3.99Å; F210-H219 HydrophobicContact CE2-CB 3.84Å; F210-H219 AromaticContact CE2-CD2 3.2Å; F210-H219 WeakPolarHBondContact CE2-CD2 3.28Å; F210-H219 AromaticContact CE2-CG 3.63Å; F210-H219 HydrophobicContact CZ-CB 3.5Å; F210-H219 AromaticContact CZ-CD2 3.31Å; F210-H219 WeakPolarHBondContact CZ-CD2 3.36Å; F210-H219 AromaticContact CZ-CG 3.28Å; H215-H219 WeakPolarHBondContact O-CB 3.49Å; H215-H219 PolarHBondContact O-N 2.75Å; L216-H219 CarbonylContact O-C 3.45Å; L216-H219 WeakPolarHBondContact O-CA 3.38Å; L216-H219 WeakPolarHBondContact O-CB 3.19Å; L216-H219 PolarHBondContact O-N 3.16Å; N217-H219 PolarHBondContact O-N 2.6Å; H219-L221 PolarHBondContact O-N 3.45Å; H219-S222 PolarHBondContact CE1-OG 2.78Å; H219-S222 VanDerWaalsContact CE1-OG 3.27Å; H219-S222 PolarHBondContact ND1-OG 3.22Å; H219-S222 WeakPolarHBondContact O-CA 3.4Å; H219-S222 VanDerWaalsContact O-CB 3.25Å; H219-S222 WeakPolarHBondContact O-CB 3.25Å; H219-S222 PolarHBondContact O-N 3.15Å; H219-S222 PolarHBondContact O-OG 2.89Å |
| 220 | R | 81.9 | Confident | 81.7 | Confident | 143 Ų | 143 | 81.6 Ų | 81.6 | 54% | 0.54 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -56.7 | -38.7 | 171 | -69.1 | 171.5 | 74.7 | -120.2 | 7.7 | 111.5 | L216 N217 S222 H223 S224 | L216-R220 HydrophobicContact CD1-CG 4.26Å; L216-R220 WeakPolarHBondContact O-CG 3.34Å; L216-R220 PolarHBondContact O-N 3.23Å; N217-R220 WeakPolarHBondContact O-CB 3.01Å; N217-R220 PolarHBondContact O-N 3.24Å; N217-R220 VanDerWaalsContact O-N 3.11Å; N217-R220 PolarHBondContact OD1-NH1 2.89Å; R220-S222 PolarHBondContact O-N 2.98Å; R220-S222 VanDerWaalsContact O-N 3.08Å; R220-H223 PolarHBondContact O-N 2.98Å; R220-S224 PolarHBondContact O-N 3.17Å |
| 221 | L | 81.1 | Confident | 81.7 | Confident | 49 Ų | 49 | 79.4 Ų | 79.4 | 26% | 0.257 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -57.5 | -20 | 170.1 | -66.4 | 172.8 | 0 | 0 | 0 | 114 | N217 H219 K239 | N217-L221 PolarHBondContact O-N 3.04Å; H219-L221 PolarHBondContact O-N 3.45Å; L221-K239 VanDerWaalsContact O-CD 3.28Å; L221-K239 WeakPolarHBondContact O-CD 3.39Å; L221-K239 WeakPolarHBondContact O-CE 3.42Å; L221-K239 PolarHBondContact O-NZ 3.02Å |
| 222 | S | 78.3 | Confident | 81.4 | Confident | 60 Ų | 60 | 74.8 Ų | 74.8 | 42% | 0.42 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -74.6 | -29.1 | 173.3 | 76.1 | 0 | 0 | 0 | 0 | 112.8 | H219 R220 K239 | H219-S222 PolarHBondContact CE1-OG 2.78Å; H219-S222 VanDerWaalsContact CE1-OG 3.27Å; H219-S222 PolarHBondContact ND1-OG 3.22Å; H219-S222 WeakPolarHBondContact O-CA 3.4Å; H219-S222 VanDerWaalsContact O-CB 3.25Å; H219-S222 WeakPolarHBondContact O-CB 3.25Å; H219-S222 PolarHBondContact O-N 3.15Å; H219-S222 PolarHBondContact O-OG 2.89Å; R220-S222 PolarHBondContact O-N 2.98Å; R220-S222 VanDerWaalsContact O-N 3.08Å; S222-K239 PolarHBondContact O-NZ 2.63Å |
| 223 | H | 77.6 | Confident | 81.2 | Confident | 89 Ų | 89 | 77.2 Ų | 77.2 | 41% | 0.412 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -83.8 | -37.4 | 178.1 | -61.9 | -63.4 | 0 | 0 | 0 | 113.7 | C206 R220 | C206-H223 WeakPolarHBondContact CB-NE2 3.33Å; C206-H223 PolarHBondContact SG-NE2 3.35Å; R220-H223 PolarHBondContact O-N 2.98Å |
| 224 | S | 74.3 | Confident | 81.1 | Confident | 36 Ų | 36 | 75.8 Ų | 75.8 | 25% | 0.252 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -76.4 | 143.7 | 174.3 | 179.7 | 0 | 0 | 0 | 0 | 111.5 | R220 E226 K239 | R220-S224 PolarHBondContact O-N 3.17Å; S224-E226 WeakPolarHBondContact CB-OE2 3.33Å; S224-E226 PolarHBondContact O-N 2.75Å; S224-E226 WeakPolarHBondContact OG-CB 3.41Å; S224-E226 WeakPolarHBondContact OG-CG 3.49Å; S224-E226 PolarHBondContact OG-N 3.25Å; S224-E226 VanDerWaalsContact OG-N 3.16Å; S224-E226 PolarHBondContact OG-OE2 3.25Å; S224-K239 WeakPolarHBondContact O-CE 3.44Å; S224-K239 PolarHBondContact O-NZ 3.27Å |
| 225 | D | 73.9 | Confident | 81.1 | Confident | 88 Ų | 88 | 74.1 Ų | 74.1 | 47% | 0.471 | 38% | 0.382 | S | S | . | . | trans | -72.6 | -10.5 | 171 | -69.4 | -65.5 | 0 | 0 | 0 | 113.8 | Y84 K227 | Y84-D225 WeakPolarHBondContact CD2-OD2 3.47Å; Y84-D225 WeakPolarHBondContact CE2-OD2 3.34Å; D225-K227 WeakPolarHBondContact O-CG 3.28Å; D225-K227 PolarHBondContact O-N 3.3Å | ||
| 226 | E | 73.8 | Confident | 81.1 | Confident | 129 Ų | 129 | 76.5 Ų | 76.5 | 60% | 0.603 | 39% | 0.393 | S | S | * | . | trans | -54.4 | 121 | -177.6 | -70.9 | 162.9 | 132.4 | 0 | 0 | 111.5 | S224 P228 | S224-E226 WeakPolarHBondContact CB-OE2 3.33Å; S224-E226 PolarHBondContact O-N 2.75Å; S224-E226 WeakPolarHBondContact OG-CB 3.41Å; S224-E226 WeakPolarHBondContact OG-CG 3.49Å; S224-E226 PolarHBondContact OG-N 3.25Å; S224-E226 VanDerWaalsContact OG-N 3.16Å; S224-E226 PolarHBondContact OG-OE2 3.25Å; E226-P228 VanDerWaalsContact C-CD 3.49Å; E226-P228 WeakPolarHBondContact O-CD 3.49Å | ||
| 227 | K | 80.8 | Confident | 81 | Confident | 92 Ų | 92 | 82.4 Ų | 82.4 | 40% | 0.4 | 41% | 0.414 | S | S | . | . | trans | -118 | 81.3 | 175.4 | -71.3 | 153.4 | 175.7 | 177.2 | 0 | 107.3 | D225 Y229 R237 F238 K239 | D225-K227 WeakPolarHBondContact O-CG 3.28Å; D225-K227 PolarHBondContact O-N 3.3Å; K227-Y229 PolarHBondContact O-N 3.5Å; K227-R237 HydrophobicContact CB-CB 3.47Å; K227-R237 VanDerWaalsContact CB-CB 3.47Å; K227-R237 HydrophobicContact CD-CB 4.13Å; K227-R237 WeakPolarHBondContact CD-O 3.36Å; K227-R237 HydrophobicContact CG-CB 4.36Å; K227-R237 PolarHBondContact O-NE 2.81Å; K227-R237 PolarHBondContact O-NH2 2.97Å; K227-F238 CarbonylContact C-O 3.29Å; K227-F238 VanDerWaalsContact C-O 3.29Å; K227-F238 VanDerWaalsContact CA-O 3.25Å; K227-F238 WeakPolarHBondContact CA-O 3.25Å; K227-K239 HydrophobicContact CG-CG 3.76Å | ||
| 228 | P | 80.3 | Confident | 81.1 | Confident | 76 Ų | 76 | 80.3 Ų | 80.3 | 49% | 0.494 | 40% | 0.401 | S | S | . | . | trans | -69.8 | -12.9 | -172.2 | 24.4 | -32 | 0 | 0 | 0 | 114 | E226 | E226-P228 VanDerWaalsContact C-CD 3.49Å; E226-P228 WeakPolarHBondContact O-CD 3.49Å | ||
| 229 | Y | 81.8 | Confident | 81.1 | Confident | 86 Ų | 86 | 78.6 Ų | 78.6 | 34% | 0.337 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 108.8 | -177.6 | -57.3 | -78.9 | 0 | 0 | 0 | 111.1 | K227 R237 F238 K241 | K227-Y229 PolarHBondContact O-N 3.5Å; Y229-R237 CarbonylContact O-C 3.54Å; Y229-R237 WeakPolarHBondContact O-CA 3.31Å; Y229-F238 PolarHBondContact N-O 3.18Å; Y229-F238 PolarHBondContact O-N 3.37Å; Y229-K241 HydrophobicContact CD1-CB 3.87Å; Y229-K241 HydrophobicContact CD1-CG 4.09Å; Y229-K241 HydrophobicContact CE1-CB 3.54Å; Y229-K241 HydrophobicContact CE1-CD 4.28Å; Y229-K241 HydrophobicContact CE1-CG 3.9Å; Y229-K241 HydrophobicContact CE2-CB 4.38Å; Y229-K241 HydrophobicContact CG-CB 4.42Å |
| 230 | S | 86.4 | Confident | 81 | Confident | 56 Ų | 56 | 81.2 Ų | 81.2 | 39% | 0.392 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 138.8 | 174.1 | 41.8 | 0 | 0 | 0 | 0 | 111.9 | ||
| 231 | C | 84.9 | Confident | 81 | Confident | 0 Ų | 0 | 81 Ų | 81 | 0% | 0 | 41% | 0.408 | C | S | . | . | trans | -70.4 | 122.5 | 168.3 | -179.8 | 0 | 0 | 0 | 0 | 110.1 | V233 Q235 Q236 F238 H247 | C231-V233 PolarHBondContact O-N 2.81Å; C231-Q235 WeakPolarHBondContact O-CA 3.2Å; C231-Q235 PolarHBondContact O-N 3.23Å; C231-Q236 HydrophobicContact CB-CB 4.49Å; C231-Q236 WeakPolarHBondContact CB-O 3.36Å; C231-Q236 PolarHBondContact N-O 3.31Å; C231-F238 HydrophobicContact CB-CE2 4.23Å; C231-H247 PolarHBondContact SG-CD2 3.11Å; C231-H247 PolarHBondContact SG-NE2 3.2Å; C231-H247 VanDerWaalsContact SG-NE2 3.42Å | ||
| 232 | P | 80.6 | Confident | 81.1 | Confident | 92 Ų | 92 | 81 Ų | 81 | 60% | 0.597 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -25.4 | 178.8 | 24.6 | -34.5 | 0 | 0 | 0 | 113.6 | V248 | P232-V248 HydrophobicContact CG-CG2 4.4Š|
| 233 | V | 81.4 | Confident | 81.2 | Confident | 92 Ų | 92 | 81.8 Ų | 81.8 | 56% | 0.558 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -42.4 | -175.2 | -171 | 0 | 0 | 0 | 0 | 112.8 | C231 H251 | C231-V233 PolarHBondContact O-N 2.81Å; V233-H251 HydrophobicContact CB-CB 4.34Å; V233-H251 HydrophobicContact CG1-CB 4.02Å; V233-H251 HydrophobicContact CG2-CB 4.18Å |
| 234 | C | 82.4 | Confident | 81.7 | Confident | 60 Ų | 60 | 79.1 Ų | 79.1 | 41% | 0.405 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.2 | 7.8 | -173.9 | 70.9 | 0 | 0 | 0 | 0 | 114.6 | Q236 H247 | C234-Q236 PolarHBondContact O-N 2.83Å; C234-Q236 VanDerWaalsContact SG-CB 3.58Å; C234-H247 PolarHBondContact SG-NE2 3.33Å |
| 235 | Q | 83.3 | Confident | 82.1 | Confident | 128 Ų | 128 | 79.7 Ų | 79.7 | 60% | 0.598 | 39% | 0.394 | S | S | * | . | trans | 56.4 | 11 | -178.2 | -55.9 | -63.9 | -5.8 | 0 | 0 | 115.8 | C231 R237 | C231-Q235 WeakPolarHBondContact O-CA 3.2Å; C231-Q235 PolarHBondContact O-N 3.23Å; Q235-R237 PolarHBondContact O-N 3.01Å | ||
| 236 | Q | 84.4 | Confident | 82.2 | Confident | 102 Ų | 102 | 79 Ų | 79 | 48% | 0.477 | 39% | 0.385 | S | S | . | . | trans | -62.2 | 126.9 | 173.9 | -171.5 | 173.3 | 17.5 | 0 | 0 | 110.1 | C231 C234 F238 H247 | C231-Q236 HydrophobicContact CB-CB 4.49Å; C231-Q236 WeakPolarHBondContact CB-O 3.36Å; C231-Q236 PolarHBondContact N-O 3.31Å; C234-Q236 PolarHBondContact O-N 2.83Å; C234-Q236 VanDerWaalsContact SG-CB 3.58Å; Q236-F238 HydrophobicContact CB-CE2 3.93Å; Q236-F238 HydrophobicContact CB-CZ 4.21Å; Q236-F238 HydrophobicContact CG-CE2 3.85Å; Q236-F238 HydrophobicContact CG-CZ 3.75Å; Q236-F238 VanDerWaalsContact O-CD2 3.28Å; Q236-F238 WeakPolarHBondContact O-CD2 3.44Å; Q236-F238 WeakPolarHBondContact O-CE2 3.45Å; Q236-H247 PolarHBondContact OE1-CE1 2.97Å | ||
| 237 | R | 84.8 | Confident | 82.6 | Confident | 149 Ų | 149 | 74.4 Ų | 74.4 | 56% | 0.562 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 135.7 | -175.4 | -56.5 | -177.3 | 62.4 | 168.3 | 3 | 112.3 | K227 Y229 Q235 | K227-R237 HydrophobicContact CB-CB 3.47Å; K227-R237 VanDerWaalsContact CB-CB 3.47Å; K227-R237 HydrophobicContact CD-CB 4.13Å; K227-R237 WeakPolarHBondContact CD-O 3.36Å; K227-R237 HydrophobicContact CG-CB 4.36Å; K227-R237 PolarHBondContact O-NE 2.81Å; K227-R237 PolarHBondContact O-NH2 2.97Å; Y229-R237 CarbonylContact O-C 3.54Å; Y229-R237 WeakPolarHBondContact O-CA 3.31Å; Q235-R237 PolarHBondContact O-N 3.01Å |
| 238 | F | 83.9 | Confident | 82.7 | Confident | 35 Ų | 35 | 71.9 Ų | 71.9 | 15% | 0.154 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 150.2 | -176.3 | -62.3 | -90.2 | 0 | 0 | 0 | 112.3 | K227 Y229 C231 Q236 R240 R243 M244 H247 | K227-F238 CarbonylContact C-O 3.29Å; K227-F238 VanDerWaalsContact C-O 3.29Å; K227-F238 VanDerWaalsContact CA-O 3.25Å; K227-F238 WeakPolarHBondContact CA-O 3.25Å; Y229-F238 PolarHBondContact N-O 3.18Å; Y229-F238 PolarHBondContact O-N 3.37Å; C231-F238 HydrophobicContact CB-CE2 4.23Å; Q236-F238 HydrophobicContact CB-CE2 3.93Å; Q236-F238 HydrophobicContact CB-CZ 4.21Å; Q236-F238 HydrophobicContact CG-CE2 3.85Å; Q236-F238 HydrophobicContact CG-CZ 3.75Å; Q236-F238 VanDerWaalsContact O-CD2 3.28Å; Q236-F238 WeakPolarHBondContact O-CD2 3.44Å; Q236-F238 WeakPolarHBondContact O-CE2 3.45Å; F238-R240 VanDerWaalsContact C-N 3.32Å; F238-R240 PolarHBondContact O-N 2.95Å; F238-R243 HydrophobicContact CD1-CB 4.16Å; F238-M244 HydrophobicContact CB-CB 4.12Å; F238-M244 HydrophobicContact CD2-CB 3.89Å; F238-M244 HydrophobicContact CD2-CG 4.16Å; F238-M244 HydrophobicContact CG-CB 4.14Å; F238-H247 HydrophobicContact CE1-CB 4.08Å; F238-H247 HydrophobicContact CE2-CB 4.08Å; F238-H247 AromaticContact CE2-CD2 3.42Å; F238-H247 VanDerWaalsContact CE2-CD2 3.42Å; F238-H247 WeakPolarHBondContact CE2-CD2 3.42Å; F238-H247 AromaticContact CE2-CG 3.76Å; F238-H247 HydrophobicContact CZ-CB 3.58Å; F238-H247 AromaticContact CZ-CD2 3.44Å; F238-H247 VanDerWaalsContact CZ-CD2 3.44Å; F238-H247 WeakPolarHBondContact CZ-CD2 3.49Å; F238-H247 AromaticContact CZ-CG 3.3Å; F238-H247 AromaticContact CZ-ND1 3.78Å; F238-H247 AromaticContact CZ-NE2 3.97Å |
| 239 | K | 83.1 | Confident | 82.4 | Confident | 61 Ų | 61 | 74.9 Ų | 74.9 | 27% | 0.265 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -79.2 | -7.9 | 177 | -65.5 | -173.6 | 157.8 | -156 | 0 | 114.2 | L221 S222 S224 K227 | L221-K239 VanDerWaalsContact O-CD 3.28Å; L221-K239 WeakPolarHBondContact O-CD 3.39Å; L221-K239 WeakPolarHBondContact O-CE 3.42Å; L221-K239 PolarHBondContact O-NZ 3.02Å; S222-K239 PolarHBondContact O-NZ 2.63Å; S224-K239 WeakPolarHBondContact O-CE 3.44Å; S224-K239 PolarHBondContact O-NZ 3.27Å; K227-K239 HydrophobicContact CG-CG 3.76Å |
| 240 | R | 82.7 | Confident | 82.1 | Confident | 82 Ų | 82 | 73.8 Ų | 73.8 | 31% | 0.309 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -148 | 143.3 | -175.2 | -67 | 166.3 | 47.9 | 149 | -6.5 | 111.9 | F238 D242 R243 M244 | F238-R240 VanDerWaalsContact C-N 3.32Å; F238-R240 PolarHBondContact O-N 2.95Å; R240-D242 WeakPolarHBondContact CB-OD1 3.45Å; R240-D242 IonicContact CZ-OD1 3.72Å; R240-D242 IonicContact CZ-OD2 3.33Å; R240-D242 IonicContact NE-OD1 3.82Å; R240-D242 PolarHBondContact NE-OD1 2.81Å; R240-D242 IonicContact NE-OD2 2.76Å; R240-D242 IonicContact NH2-OD1 2.86Å; R240-D242 PolarHBondContact NH2-OD1 2.67Å; R240-D242 IonicContact NH2-OD2 3.06Å; R240-D242 PolarHBondContact NH2-OD2 2.81Å; R240-R243 HydrophobicContact CB-CB 4.35Å; R240-R243 HydrophobicContact CB-CG 4.1Å; R240-R243 PolarHBondContact O-N 3.04Å; R240-M244 PolarHBondContact O-N 2.96Å |
| 241 | K | 82.3 | Confident | 81.6 | Confident | 139 Ų | 139 | 74.8 Ų | 74.8 | 60% | 0.604 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -58.4 | -47.6 | 178.4 | -164 | 175.5 | -179.7 | 178.8 | 0 | 112.4 | Y229 R243 M244 S245 | Y229-K241 HydrophobicContact CD1-CB 3.87Å; Y229-K241 HydrophobicContact CD1-CG 4.09Å; Y229-K241 HydrophobicContact CE1-CB 3.54Å; Y229-K241 HydrophobicContact CE1-CD 4.28Å; Y229-K241 HydrophobicContact CE1-CG 3.9Å; Y229-K241 HydrophobicContact CE2-CB 4.38Å; Y229-K241 HydrophobicContact CG-CB 4.42Å; K241-R243 VanDerWaalsContact C-N 3.32Å; K241-R243 PolarHBondContact O-N 3.27Å; K241-M244 WeakPolarHBondContact O-CB 3.39Å; K241-M244 PolarHBondContact O-N 3.46Å; K241-S245 PolarHBondContact O-N 2.93Å; K241-S245 PolarHBondContact O-OG 2.96Å |
| 242 | D | 81.4 | Confident | 80.8 | Confident | 49 Ų | 49 | 82.6 Ų | 82.6 | 26% | 0.262 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -58.9 | -42.2 | 179.6 | 72.4 | -59.4 | 0 | 0 | 0 | 112.3 | R240 M244 S245 Y246 | R240-D242 WeakPolarHBondContact CB-OD1 3.45Å; R240-D242 IonicContact CZ-OD1 3.72Å; R240-D242 IonicContact CZ-OD2 3.33Å; R240-D242 IonicContact NE-OD1 3.82Å; R240-D242 PolarHBondContact NE-OD1 2.81Å; R240-D242 IonicContact NE-OD2 2.76Å; R240-D242 IonicContact NH2-OD1 2.86Å; R240-D242 PolarHBondContact NH2-OD1 2.67Å; R240-D242 IonicContact NH2-OD2 3.06Å; R240-D242 PolarHBondContact NH2-OD2 2.81Å; D242-M244 PolarHBondContact O-N 3.25Å; D242-S245 PolarHBondContact O-N 3.47Å; D242-Y246 WeakPolarHBondContact O-CD2 3.48Å; D242-Y246 PolarHBondContact O-N 3.08Å |
| 243 | R | 82.1 | Confident | 79.9 | Confident | 77 Ų | 77 | 81.5 Ų | 81.5 | 29% | 0.291 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -67.6 | -36.2 | 180 | -62.1 | -52.2 | -165.4 | -136 | 19.3 | 112 | F238 R240 K241 H247 D272 | F238-R243 HydrophobicContact CD1-CB 4.16Å; R240-R243 HydrophobicContact CB-CB 4.35Å; R240-R243 HydrophobicContact CB-CG 4.1Å; R240-R243 PolarHBondContact O-N 3.04Å; K241-R243 VanDerWaalsContact C-N 3.32Å; K241-R243 PolarHBondContact O-N 3.27Å; R243-H247 WeakPolarHBondContact O-CB 3.14Å; R243-H247 PolarHBondContact O-N 3.09Å; R243-D272 IonicContact NH2-OD1 3.9Å |
| 244 | M | 87.3 | Confident | 78.8 | Confident | 32 Ų | 32 | 79.7 Ų | 79.7 | 16% | 0.158 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -64.1 | -50.4 | 169.3 | -179 | -152.6 | 75 | 0 | 0 | 110.8 | F238 R240 K241 D242 Y246 H247 V248 | F238-M244 HydrophobicContact CB-CB 4.12Å; F238-M244 HydrophobicContact CD2-CB 3.89Å; F238-M244 HydrophobicContact CD2-CG 4.16Å; F238-M244 HydrophobicContact CG-CB 4.14Å; R240-M244 PolarHBondContact O-N 2.96Å; K241-M244 WeakPolarHBondContact O-CB 3.39Å; K241-M244 PolarHBondContact O-N 3.46Å; D242-M244 PolarHBondContact O-N 3.25Å; M244-Y246 PolarHBondContact O-N 3.15Å; M244-H247 CarbonylContact O-C 3.43Å; M244-H247 WeakPolarHBondContact O-CA 3.25Å; M244-H247 WeakPolarHBondContact O-CB 3.09Å; M244-H247 PolarHBondContact O-N 3.13Å; M244-V248 HydrophobicContact CG-CG2 4.37Å; M244-V248 WeakPolarHBondContact O-CG2 3.16Å; M244-V248 PolarHBondContact O-N 3.25Å |
| 245 | S | 82.4 | Confident | 77.9 | Confident | 48 Ų | 48 | 79.6 Ų | 79.6 | 34% | 0.336 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60.6 | -42.6 | -178.1 | -62.7 | 0 | 0 | 0 | 0 | 113.4 | K241 D242 H247 V248 R249 | K241-S245 PolarHBondContact O-N 2.93Å; K241-S245 PolarHBondContact O-OG 2.96Å; D242-S245 PolarHBondContact O-N 3.47Å; S245-H247 VanDerWaalsContact C-N 3.28Å; S245-H247 PolarHBondContact O-N 2.92Å; S245-V248 PolarHBondContact O-N 3.15Å; S245-R249 WeakPolarHBondContact O-CG 3.23Å; S245-R249 PolarHBondContact O-N 3.05Å; S245-R249 VanDerWaalsContact O-N 3.14Å |
| 246 | Y | 76.4 | Confident | 77 | Confident | 73 Ų | 73 | 80.3 Ų | 80.3 | 29% | 0.286 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -63.5 | -33.8 | 173 | -80.8 | -64.4 | 0 | 0 | 0 | 112.7 | D242 M244 S269 R270 | D242-Y246 WeakPolarHBondContact O-CD2 3.48Å; D242-Y246 PolarHBondContact O-N 3.08Å; M244-Y246 PolarHBondContact O-N 3.15Å; Y246-S269 WeakPolarHBondContact CE1-O 3.15Å; Y246-R270 HydrophobicContact CD1-CG 4.22Å; Y246-R270 HydrophobicContact CD2-CG 4.29Å; Y246-R270 HydrophobicContact CE1-CG 4.01Å; Y246-R270 HydrophobicContact CE2-CG 4.08Å; Y246-R270 HydrophobicContact CG-CG 4.37Å |
| 247 | H | 82.6 | Confident | 76.4 | Confident | 33 Ų | 33 | 80.9 Ų | 80.9 | 15% | 0.153 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -74.3 | -38 | 175.7 | 167.4 | 80.7 | 0 | 0 | 0 | 112.4 | C231 C234 Q236 F238 R243 M244 S245 R249 S250 H251 | C231-H247 PolarHBondContact SG-CD2 3.11Å; C231-H247 PolarHBondContact SG-NE2 3.2Å; C231-H247 VanDerWaalsContact SG-NE2 3.42Å; C234-H247 PolarHBondContact SG-NE2 3.33Å; Q236-H247 PolarHBondContact OE1-CE1 2.97Å; F238-H247 HydrophobicContact CE1-CB 4.08Å; F238-H247 HydrophobicContact CE2-CB 4.08Å; F238-H247 AromaticContact CE2-CD2 3.42Å; F238-H247 VanDerWaalsContact CE2-CD2 3.42Å; F238-H247 WeakPolarHBondContact CE2-CD2 3.42Å; F238-H247 AromaticContact CE2-CG 3.76Å; F238-H247 HydrophobicContact CZ-CB 3.58Å; F238-H247 AromaticContact CZ-CD2 3.44Å; F238-H247 VanDerWaalsContact CZ-CD2 3.44Å; F238-H247 WeakPolarHBondContact CZ-CD2 3.49Å; F238-H247 AromaticContact CZ-CG 3.3Å; F238-H247 AromaticContact CZ-ND1 3.78Å; F238-H247 AromaticContact CZ-NE2 3.97Å; R243-H247 WeakPolarHBondContact O-CB 3.14Å; R243-H247 PolarHBondContact O-N 3.09Å; M244-H247 CarbonylContact O-C 3.43Å; M244-H247 WeakPolarHBondContact O-CA 3.25Å; M244-H247 WeakPolarHBondContact O-CB 3.09Å; M244-H247 PolarHBondContact O-N 3.13Å; S245-H247 VanDerWaalsContact C-N 3.28Å; S245-H247 PolarHBondContact O-N 2.92Å; H247-R249 VanDerWaalsContact C-N 3.29Å; H247-R249 PolarHBondContact O-N 3.4Å; H247-S250 WeakPolarHBondContact O-CB 3.23Å; H247-S250 PolarHBondContact O-N 2.9Å; H247-S250 PolarHBondContact O-OG 2.84Å; H247-H251 AromaticContact CD2-NE2 3.75Å; H247-H251 AromaticContact CE1-NE2 3.29Å; H247-H251 PolarHBondContact CE1-NE2 3.27Å; H247-H251 VanDerWaalsContact CE1-NE2 3.29Å; H247-H251 AromaticContact NE2-CD2 3.9Å; H247-H251 AromaticContact NE2-CE1 3.98Å; H247-H251 AromaticContact NE2-NE2 2.99Å; H247-H251 PolarHBondContact NE2-NE2 2.93Å; H247-H251 PolarHBondContact O-CD2 3.45Å; H247-H251 VanDerWaalsContact O-CD2 3.29Å |
| 248 | V | 81.3 | Confident | 75.8 | Confident | 40 Ų | 40 | 78 Ų | 78 | 24% | 0.242 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -57.5 | -44.3 | 172.9 | 172.5 | 0 | 0 | 0 | 0 | 110.4 | P232 M244 S245 S250 H251 | P232-V248 HydrophobicContact CG-CG2 4.4Å; M244-V248 HydrophobicContact CG-CG2 4.37Å; M244-V248 WeakPolarHBondContact O-CG2 3.16Å; M244-V248 PolarHBondContact O-N 3.25Å; S245-V248 PolarHBondContact O-N 3.15Å; V248-S250 PolarHBondContact O-N 2.97Å; V248-S250 VanDerWaalsContact O-N 3.1Å; V248-H251 PolarHBondContact O-N 3.3Å |
| 249 | R | 75.4 | Confident | 75.6 | Confident | 139 Ų | 139 | 80 Ų | 80 | 53% | 0.525 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -19.1 | 173.8 | -68.1 | 178.5 | -176.4 | -160 | -0.5 | 114.4 | S245 H247 | S245-R249 WeakPolarHBondContact O-CG 3.23Å; S245-R249 PolarHBondContact O-N 3.05Å; S245-R249 VanDerWaalsContact O-N 3.14Å; H247-R249 VanDerWaalsContact C-N 3.29Å; H247-R249 PolarHBondContact O-N 3.4Å |
| 250 | S | 75.8 | Confident | 75.5 | Confident | 62 Ų | 62 | 82 Ų | 82 | 43% | 0.434 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -12.7 | 174.8 | 71.1 | 0 | 0 | 0 | 0 | 114.8 | H247 V248 | H247-S250 WeakPolarHBondContact O-CB 3.23Å; H247-S250 PolarHBondContact O-N 2.9Å; H247-S250 PolarHBondContact O-OG 2.84Å; V248-S250 PolarHBondContact O-N 2.97Å; V248-S250 VanDerWaalsContact O-N 3.1Å |
| 251 | H | 74.6 | Confident | 75.7 | Confident | 77 Ų | 77 | 78.2 Ų | 78.2 | 36% | 0.356 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -25.5 | 172.9 | -65 | -84.6 | 0 | 0 | 0 | 112.8 | V233 H247 V248 G253 | V233-H251 HydrophobicContact CB-CB 4.34Å; V233-H251 HydrophobicContact CG1-CB 4.02Å; V233-H251 HydrophobicContact CG2-CB 4.18Å; H247-H251 AromaticContact CD2-NE2 3.75Å; H247-H251 AromaticContact CE1-NE2 3.29Å; H247-H251 PolarHBondContact CE1-NE2 3.27Å; H247-H251 VanDerWaalsContact CE1-NE2 3.29Å; H247-H251 AromaticContact NE2-CD2 3.9Å; H247-H251 AromaticContact NE2-CE1 3.98Å; H247-H251 AromaticContact NE2-NE2 2.99Å; H247-H251 PolarHBondContact NE2-NE2 2.93Å; H247-H251 PolarHBondContact O-CD2 3.45Å; H247-H251 VanDerWaalsContact O-CD2 3.29Å; V248-H251 PolarHBondContact O-N 3.3Å; H251-G253 PolarHBondContact O-N 3.42Å; H251-G253 VanDerWaalsContact O-N 3.08Å |
| 252 | Q | 69.3 | Low | 75.5 | Confident | 165 Ų | 165 | 76.6 Ų | 76.6 | 77% | 0.771 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -76.6 | 9.3 | -174.8 | -152.6 | 65.7 | 52.3 | 0 | 0 | 114 | G254 | Q252-G254 PolarHBondContact O-N 2.87Š|
| 253 | G | 61.8 | Low | 75.5 | Confident | 69 Ų | 69 | 80 Ų | 80 | 71% | 0.711 | 43% | 0.428 | S | S | * | . | S | Bend | trans | 71.8 | -50 | -176 | 0 | 0 | 0 | 0 | 0 | 114.1 | H251 V255 | H251-G253 PolarHBondContact O-N 3.42Å; H251-G253 VanDerWaalsContact O-N 3.08Å; G253-V255 PolarHBondContact O-N 3.46Å |
| 254 | G | 57.6 | Low | 75.5 | Confident | 54 Ų | 54 | 78.2 Ų | 78.2 | 56% | 0.557 | 43% | 0.427 | S | S | * | . | trans | -76.6 | 83 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q252 E256 | Q252-G254 PolarHBondContact O-N 2.87Å; G254-E256 PolarHBondContact O-N 2.74Å | ||
| 255 | V | 63.5 | Low | 75.1 | Confident | 58 Ų | 58 | 81.4 Ų | 81.4 | 35% | 0.352 | 45% | 0.453 | S | S | . | . | trans | -71.2 | 89.7 | 160.2 | -178.6 | 0 | 0 | 0 | 0 | 107.9 | G253 K257 | G253-V255 PolarHBondContact O-N 3.46Å; V255-K257 HydrophobicContact CG1-CG 4.37Å; V255-K257 WeakPolarHBondContact O-CG 3.22Å; V255-K257 PolarHBondContact O-N 3.16Å | ||
| 256 | E | 63.6 | Low | 75.1 | Confident | 143 Ų | 143 | 85.3 Ų | 85.3 | 67% | 0.668 | 46% | 0.464 | S | S | * | . | trans | -52.7 | 131 | 166.6 | -69.5 | -171 | 144.9 | 0 | 0 | 109.7 | G254 P258 | G254-E256 PolarHBondContact O-N 2.74Å; E256-P258 VanDerWaalsContact O-CD 3.27Å; E256-P258 WeakPolarHBondContact O-CD 3.42Å | ||
| 257 | K | 72.4 | Confident | 75.2 | Confident | 114 Ų | 114 | 83.6 Ų | 83.6 | 50% | 0.496 | 46% | 0.464 | S | S | . | . | trans | -120.7 | 63.4 | -176 | -75 | 156.1 | 165.4 | -177 | 0 | 110 | V255 Y259 A267 F268 | V255-K257 HydrophobicContact CG1-CG 4.37Å; V255-K257 WeakPolarHBondContact O-CG 3.22Å; V255-K257 PolarHBondContact O-N 3.16Å; K257-Y259 PolarHBondContact O-N 3.04Å; K257-A267 HydrophobicContact CB-CB 3.49Å; K257-A267 VanDerWaalsContact CB-CB 3.49Å; K257-A267 HydrophobicContact CD-CB 4.07Å; K257-A267 VanDerWaalsContact CD-O 3.29Å; K257-A267 WeakPolarHBondContact CD-O 3.19Å; K257-A267 HydrophobicContact CG-CB 4.33Å; K257-A267 WeakPolarHBondContact CG-O 3.42Å; K257-F268 CarbonylContact C-O 3.26Å; K257-F268 VanDerWaalsContact C-O 3.26Å; K257-F268 WeakPolarHBondContact CA-O 3.31Å | ||
| 258 | P | 73.2 | Confident | 75.2 | Confident | 88 Ų | 88 | 84.3 Ų | 84.3 | 57% | 0.571 | 47% | 0.467 | S | S | * | . | trans | -65.6 | -10 | -174 | 28.3 | -36 | 0 | 0 | 0 | 113.6 | E256 I260 | E256-P258 VanDerWaalsContact O-CD 3.27Å; E256-P258 WeakPolarHBondContact O-CD 3.42Å; P258-I260 PolarHBondContact O-N 3.1Å | ||
| 259 | Y | 78.3 | Confident | 75.1 | Confident | 78 Ų | 78 | 84.3 Ų | 84.3 | 31% | 0.306 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 81.1 | 178.2 | -52 | -72.9 | 0 | 0 | 0 | 110.2 | K257 F268 R270 P271 | K257-Y259 PolarHBondContact O-N 3.04Å; Y259-F268 WeakPolarHBondContact CB-O 2.96Å; Y259-F268 WeakPolarHBondContact CD2-O 3.39Å; Y259-F268 PolarHBondContact N-O 3.43Å; Y259-F268 PolarHBondContact O-N 3.19Å; Y259-R270 VanDerWaalsContact CD2-C 3.41Å; Y259-P271 HydrophobicContact CD1-CB 3.86Å; Y259-P271 HydrophobicContact CE1-CB 3.78Å; Y259-P271 HydrophobicContact CE1-CG 4.17Å; Y259-P271 HydrophobicContact CE2-CG 4.43Å; Y259-P271 HydrophobicContact CG-CB 4.29Å |
| 260 | I | 81 | Confident | 75.2 | Confident | 103 Ų | 103 | 80 Ų | 80 | 53% | 0.528 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 139 | 177.5 | -57.5 | 178 | 0 | 0 | 0 | 110.3 | P258 A267 L274 | P258-I260 PolarHBondContact O-N 3.1Å; I260-A267 HydrophobicContact CG1-CB 4.04Å; I260-L274 WeakPolarHBondContact O-CD2 3.29Å |
| 261 | C | 86.4 | Confident | 75.4 | Confident | 1 Ų | 1 | 80 Ų | 80 | 1% | 0.007 | 45% | 0.451 | C | S | . | . | trans | -78.6 | 122 | 174.3 | -175.3 | 0 | 0 | 0 | 0 | 111.6 | H263 C264 S265 K266 F268 L274 H277 | C261-H263 PolarHBondContact O-N 2.8Å; C261-C264 PolarHBondContact O-N 3.04Å; C261-S265 VanDerWaalsContact O-CA 3.31Å; C261-S265 WeakPolarHBondContact O-CA 3.44Å; C261-S265 PolarHBondContact O-N 2.14Å; C261-K266 HydrophobicContact CB-CB 4.46Å; C261-K266 WeakPolarHBondContact CB-O 3.15Å; C261-K266 PolarHBondContact N-O 2.82Å; C261-F268 HydrophobicContact CB-CE2 4.34Å; C261-L274 HydrophobicContact CB-CD1 3.7Å; C261-H277 PolarHBondContact SG-NE2 3.34Å | ||
| 262 | P | 79.1 | Confident | 75.8 | Confident | 106 Ų | 106 | 79.1 Ų | 79.1 | 69% | 0.688 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -16.7 | -178.1 | 27.9 | -35.4 | 0 | 0 | 0 | 113.7 | ||
| 263 | H | 80.6 | Confident | 76.4 | Confident | 120 Ų | 120 | 74.7 Ų | 74.7 | 56% | 0.556 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.8 | -10.4 | -175.5 | -53.4 | -64.9 | 0 | 0 | 0 | 114.8 | C261 H282 | C261-H263 PolarHBondContact O-N 2.8Å; H263-H282 HydrophobicContact CB-CB 4.29Å; H263-H282 WeakPolarHBondContact CB-ND1 3.28Å; H263-H282 AromaticContact CD2-CG 3.88Å; H263-H282 AromaticContact CG-CG 3.98Å |
| 264 | C | 83.8 | Confident | 77.5 | Confident | 40 Ų | 40 | 72.8 Ų | 72.8 | 27% | 0.27 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -155.8 | 19.3 | 177.6 | 68.9 | 0 | 0 | 0 | 0 | 115 | C261 K266 H277 H282 | C261-C264 PolarHBondContact O-N 3.04Å; C264-K266 PolarHBondContact O-N 2.95Å; C264-H277 PolarHBondContact SG-NE2 2.84Å; C264-H282 PolarHBondContact SG-NE2 3.48Å |
| 265 | S | 78.7 | Confident | 78.8 | Confident | 99 Ų | 99 | 74.1 Ų | 74.1 | 69% | 0.692 | 40% | 0.396 | S | S | * | . | trans | 51.2 | 5.8 | -179.9 | 59.6 | 0 | 0 | 0 | 0 | 117.3 | C261 A267 | C261-S265 VanDerWaalsContact O-CA 3.31Å; C261-S265 WeakPolarHBondContact O-CA 3.44Å; C261-S265 PolarHBondContact O-N 2.14Å; S265-A267 PolarHBondContact O-N 2.64Å | ||
| 266 | K | 80.8 | Confident | 79.7 | Confident | 130 Ų | 130 | 73.5 Ų | 73.5 | 57% | 0.565 | 39% | 0.394 | S | S | * | . | trans | -64.5 | 122.3 | 176.4 | -73.3 | -179.8 | -177.3 | 174.5 | 0 | 110.6 | C261 C264 F268 | C261-K266 HydrophobicContact CB-CB 4.46Å; C261-K266 WeakPolarHBondContact CB-O 3.15Å; C261-K266 PolarHBondContact N-O 2.82Å; C264-K266 PolarHBondContact O-N 2.95Å; K266-F268 HydrophobicContact CB-CE2 3.84Å; K266-F268 HydrophobicContact CB-CZ 4.14Å; K266-F268 VanDerWaalsContact O-CD2 3.27Å; K266-F268 WeakPolarHBondContact O-CD2 3.42Å; K266-F268 WeakPolarHBondContact O-CE2 3.28Å | ||
| 267 | A | 80.1 | Confident | 80.8 | Confident | 37 Ų | 37 | 67.6 Ų | 67.6 | 31% | 0.306 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 131.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | K257 I260 S265 | K257-A267 HydrophobicContact CB-CB 3.49Å; K257-A267 VanDerWaalsContact CB-CB 3.49Å; K257-A267 HydrophobicContact CD-CB 4.07Å; K257-A267 VanDerWaalsContact CD-O 3.29Å; K257-A267 WeakPolarHBondContact CD-O 3.19Å; K257-A267 HydrophobicContact CG-CB 4.33Å; K257-A267 WeakPolarHBondContact CG-O 3.42Å; I260-A267 HydrophobicContact CG1-CB 4.04Å; S265-A267 PolarHBondContact O-N 2.64Å |
| 268 | F | 81.3 | Confident | 81.3 | Confident | 48 Ų | 48 | 63.9 Ų | 63.9 | 21% | 0.211 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 148.5 | -177 | -61.9 | -91.2 | 0 | 0 | 0 | 112.1 | K257 Y259 C261 K266 R270 H273 L274 H277 | K257-F268 CarbonylContact C-O 3.26Å; K257-F268 VanDerWaalsContact C-O 3.26Å; K257-F268 WeakPolarHBondContact CA-O 3.31Å; Y259-F268 WeakPolarHBondContact CB-O 2.96Å; Y259-F268 WeakPolarHBondContact CD2-O 3.39Å; Y259-F268 PolarHBondContact N-O 3.43Å; Y259-F268 PolarHBondContact O-N 3.19Å; C261-F268 HydrophobicContact CB-CE2 4.34Å; K266-F268 HydrophobicContact CB-CE2 3.84Å; K266-F268 HydrophobicContact CB-CZ 4.14Å; K266-F268 VanDerWaalsContact O-CD2 3.27Å; K266-F268 WeakPolarHBondContact O-CD2 3.42Å; K266-F268 WeakPolarHBondContact O-CE2 3.28Å; F268-R270 VanDerWaalsContact C-N 3.33Å; F268-H273 HydrophobicContact CB-CB 4.42Å; F268-H273 HydrophobicContact CD1-CB 4.12Å; F268-L274 HydrophobicContact CB-CB 4.26Å; F268-L274 HydrophobicContact CD2-CB 4.1Å; F268-L274 HydrophobicContact CD2-CD1 3.91Å; F268-L274 HydrophobicContact CE2-CD1 4.2Å; F268-L274 HydrophobicContact CG-CB 4.33Å; F268-H277 HydrophobicContact CE1-CB 3.96Å; F268-H277 HydrophobicContact CE2-CB 4.03Å; F268-H277 AromaticContact CE2-CD2 3.21Å; F268-H277 WeakPolarHBondContact CE2-CD2 3.48Å; F268-H277 AromaticContact CE2-CG 3.67Å; F268-H277 AromaticContact CE2-NE2 3.89Å; F268-H277 HydrophobicContact CZ-CB 3.53Å; F268-H277 AromaticContact CZ-CD2 3.34Å; F268-H277 WeakPolarHBondContact CZ-CD2 3.18Å; F268-H277 AromaticContact CZ-CG 3.29Å; F268-H277 AromaticContact CZ-ND1 3.93Å; F268-H277 AromaticContact CZ-NE2 3.99Å |
| 269 | S | 79.1 | Confident | 81.7 | Confident | 39 Ų | 39 | 66.5 Ų | 66.5 | 27% | 0.273 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -79.6 | -10.7 | 178.4 | 56.9 | 0 | 0 | 0 | 0 | 114.4 | Y246 | Y246-S269 WeakPolarHBondContact CE1-O 3.15Š|
| 270 | R | 79 | Confident | 81.6 | Confident | 49 Ų | 49 | 67.7 Ų | 67.7 | 19% | 0.185 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -142.5 | 142.7 | -176 | -83.3 | 164.3 | 54.5 | -168.3 | -9.4 | 111.8 | Y246 Y259 F268 D272 H273 L274 | Y246-R270 HydrophobicContact CD1-CG 4.22Å; Y246-R270 HydrophobicContact CD2-CG 4.29Å; Y246-R270 HydrophobicContact CE1-CG 4.01Å; Y246-R270 HydrophobicContact CE2-CG 4.08Å; Y246-R270 HydrophobicContact CG-CG 4.37Å; Y259-R270 VanDerWaalsContact CD2-C 3.41Å; F268-R270 VanDerWaalsContact C-N 3.33Å; R270-D272 VanDerWaalsContact C-N 3.31Å; R270-D272 IonicContact CZ-OD1 3.37Å; R270-D272 IonicContact CZ-OD2 3.55Å; R270-D272 IonicContact NE-OD1 2.83Å; R270-D272 PolarHBondContact NE-OD1 2.83Å; R270-D272 IonicContact NE-OD2 3.68Å; R270-D272 VanDerWaalsContact NH2-CG 3.29Å; R270-D272 IonicContact NH2-OD1 3.07Å; R270-D272 PolarHBondContact NH2-OD1 3.31Å; R270-D272 VanDerWaalsContact NH2-OD1 3.07Å; R270-D272 IonicContact NH2-OD2 2.7Å; R270-D272 PolarHBondContact NH2-OD2 2.84Å; R270-D272 PolarHBondContact O-N 3.26Å; R270-H273 HydrophobicContact CB-CB 4.26Å; R270-H273 PolarHBondContact NH1-NE2 2.85Å; R270-H273 VanDerWaalsContact NH1-NE2 3.15Å; R270-H273 PolarHBondContact NH2-CE1 3.47Å; R270-H273 PolarHBondContact O-N 2.98Å; R270-H273 VanDerWaalsContact O-N 3.16Å; R270-L274 PolarHBondContact O-N 3Å; R270-L274 VanDerWaalsContact O-N 3.13Å |
| 271 | P | 79.9 | Confident | 81.5 | Confident | 62 Ų | 62 | 67.1 Ų | 67.1 | 40% | 0.403 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -69.9 | -31.4 | -179.5 | 29.3 | -32.6 | 0 | 0 | 0 | 111.6 | Y259 H273 L274 N275 | Y259-P271 HydrophobicContact CD1-CB 3.86Å; Y259-P271 HydrophobicContact CE1-CB 3.78Å; Y259-P271 HydrophobicContact CE1-CG 4.17Å; Y259-P271 HydrophobicContact CE2-CG 4.43Å; Y259-P271 HydrophobicContact CG-CB 4.29Å; P271-H273 PolarHBondContact O-N 3.44Å; P271-L274 PolarHBondContact O-N 3.42Å; P271-N275 WeakPolarHBondContact O-CB 3.45Å; P271-N275 PolarHBondContact O-N 3.45Å |
| 272 | D | 81.7 | Confident | 81.2 | Confident | 59 Ų | 59 | 70.1 Ų | 70.1 | 32% | 0.316 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -68.1 | -25.7 | 175.8 | 74.3 | -97.1 | 0 | 0 | 0 | 112.5 | R243 R270 S276 | R243-D272 IonicContact NH2-OD1 3.9Å; R270-D272 VanDerWaalsContact C-N 3.31Å; R270-D272 IonicContact CZ-OD1 3.37Å; R270-D272 IonicContact CZ-OD2 3.55Å; R270-D272 IonicContact NE-OD1 2.83Å; R270-D272 PolarHBondContact NE-OD1 2.83Å; R270-D272 IonicContact NE-OD2 3.68Å; R270-D272 VanDerWaalsContact NH2-CG 3.29Å; R270-D272 IonicContact NH2-OD1 3.07Å; R270-D272 PolarHBondContact NH2-OD1 3.31Å; R270-D272 VanDerWaalsContact NH2-OD1 3.07Å; R270-D272 IonicContact NH2-OD2 2.7Å; R270-D272 PolarHBondContact NH2-OD2 2.84Å; R270-D272 PolarHBondContact O-N 3.26Å; D272-S276 VanDerWaalsContact O-CB 3.23Å; D272-S276 WeakPolarHBondContact O-CB 3.47Å; D272-S276 PolarHBondContact O-N 3.32Å; D272-S276 PolarHBondContact O-OG 3.45Å |
| 273 | H | 83.2 | Confident | 81.1 | Confident | 71 Ų | 71 | 67.1 Ų | 67.1 | 33% | 0.329 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -79.5 | -41.3 | 172.7 | -67.4 | -14.9 | 0 | 0 | 0 | 111.8 | F268 R270 P271 S276 H277 | F268-H273 HydrophobicContact CB-CB 4.42Å; F268-H273 HydrophobicContact CD1-CB 4.12Å; R270-H273 HydrophobicContact CB-CB 4.26Å; R270-H273 PolarHBondContact NH1-NE2 2.85Å; R270-H273 VanDerWaalsContact NH1-NE2 3.15Å; R270-H273 PolarHBondContact NH2-CE1 3.47Å; R270-H273 PolarHBondContact O-N 2.98Å; R270-H273 VanDerWaalsContact O-N 3.16Å; P271-H273 PolarHBondContact O-N 3.44Å; H273-S276 PolarHBondContact O-N 3.19Å; H273-H277 WeakPolarHBondContact O-CB 3.36Å; H273-H277 PolarHBondContact O-N 3.42Å |
| 274 | L | 84.9 | Confident | 80.7 | Confident | 30 Ų | 30 | 67.9 Ų | 67.9 | 16% | 0.157 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -59 | -53.2 | 172.2 | 171.2 | 59.6 | 0 | 0 | 0 | 111.8 | I260 C261 F268 R270 P271 S276 H277 V278 | I260-L274 WeakPolarHBondContact O-CD2 3.29Å; C261-L274 HydrophobicContact CB-CD1 3.7Å; F268-L274 HydrophobicContact CB-CB 4.26Å; F268-L274 HydrophobicContact CD2-CB 4.1Å; F268-L274 HydrophobicContact CD2-CD1 3.91Å; F268-L274 HydrophobicContact CE2-CD1 4.2Å; F268-L274 HydrophobicContact CG-CB 4.33Å; R270-L274 PolarHBondContact O-N 3Å; R270-L274 VanDerWaalsContact O-N 3.13Å; P271-L274 PolarHBondContact O-N 3.42Å; L274-S276 VanDerWaalsContact C-N 3.29Å; L274-S276 PolarHBondContact O-N 3.08Å; L274-H277 WeakPolarHBondContact O-CA 3.29Å; L274-H277 WeakPolarHBondContact O-CB 3.37Å; L274-H277 PolarHBondContact O-N 3.24Å; L274-V278 HydrophobicContact CD1-CG2 3.77Å; L274-V278 HydrophobicContact CG-CG2 4.39Å; L274-V278 WeakPolarHBondContact O-CG2 3.38Å; L274-V278 PolarHBondContact O-N 2.87Å |
| 275 | N | 84.1 | Confident | 80.3 | Confident | 81 Ų | 81 | 72.7 Ų | 72.7 | 43% | 0.433 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -58.2 | -40.9 | 177.9 | 179.6 | 16.9 | 0 | 0 | 0 | 111.8 | P271 H277 R279 | P271-N275 WeakPolarHBondContact O-CB 3.45Å; P271-N275 PolarHBondContact O-N 3.45Å; N275-H277 PolarHBondContact O-N 2.87Å; N275-R279 WeakPolarHBondContact O-CB 3.26Å; N275-R279 WeakPolarHBondContact O-CG 3.34Å; N275-R279 PolarHBondContact O-N 2.94Å; N275-R279 VanDerWaalsContact O-N 3.09Å; N275-R279 PolarHBondContact OD1-NE 3.17Å |
| 276 | S | 83.4 | Confident | 80.2 | Confident | 45 Ų | 45 | 75.2 Ų | 75.2 | 32% | 0.315 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.1 | -41 | 174 | -65.2 | 0 | 0 | 0 | 0 | 112.3 | D272 H273 L274 Q280 | D272-S276 VanDerWaalsContact O-CB 3.23Å; D272-S276 WeakPolarHBondContact O-CB 3.47Å; D272-S276 PolarHBondContact O-N 3.32Å; D272-S276 PolarHBondContact O-OG 3.45Å; H273-S276 PolarHBondContact O-N 3.19Å; L274-S276 VanDerWaalsContact C-N 3.29Å; L274-S276 PolarHBondContact O-N 3.08Å; S276-Q280 WeakPolarHBondContact O-CB 3.06Å; S276-Q280 WeakPolarHBondContact O-CG 3.37Å; S276-Q280 PolarHBondContact O-N 3.16Å; S276-Q280 VanDerWaalsContact O-N 3.13Å; S276-Q280 PolarHBondContact O-NE2 3.34Å |
| 277 | H | 85.5 | Confident | 80.2 | Confident | 20 Ų | 20 | 73.1 Ų | 73.1 | 9% | 0.093 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -68.4 | -47.4 | 177.6 | 158.5 | 62.8 | 0 | 0 | 0 | 112.4 | C261 C264 F268 H273 L274 N275 R279 Q280 V281 H282 | C261-H277 PolarHBondContact SG-NE2 3.34Å; C264-H277 PolarHBondContact SG-NE2 2.84Å; F268-H277 HydrophobicContact CE1-CB 3.96Å; F268-H277 HydrophobicContact CE2-CB 4.03Å; F268-H277 AromaticContact CE2-CD2 3.21Å; F268-H277 WeakPolarHBondContact CE2-CD2 3.48Å; F268-H277 AromaticContact CE2-CG 3.67Å; F268-H277 AromaticContact CE2-NE2 3.89Å; F268-H277 HydrophobicContact CZ-CB 3.53Å; F268-H277 AromaticContact CZ-CD2 3.34Å; F268-H277 WeakPolarHBondContact CZ-CD2 3.18Å; F268-H277 AromaticContact CZ-CG 3.29Å; F268-H277 AromaticContact CZ-ND1 3.93Å; F268-H277 AromaticContact CZ-NE2 3.99Å; H273-H277 WeakPolarHBondContact O-CB 3.36Å; H273-H277 PolarHBondContact O-N 3.42Å; L274-H277 WeakPolarHBondContact O-CA 3.29Å; L274-H277 WeakPolarHBondContact O-CB 3.37Å; L274-H277 PolarHBondContact O-N 3.24Å; N275-H277 PolarHBondContact O-N 2.87Å; H277-R279 VanDerWaalsContact C-N 3.32Å; H277-R279 PolarHBondContact O-N 2.77Å; H277-Q280 PolarHBondContact O-N 3.38Å; H277-V281 WeakPolarHBondContact ND1-CG2 3.47Å; H277-V281 WeakPolarHBondContact O-CB 3.5Å; H277-V281 PolarHBondContact O-N 3.29Å; H277-H282 AromaticContact CE1-CD2 4Å; H277-H282 AromaticContact CE1-NE2 3.69Å; H277-H282 AromaticContact NE2-CD2 3.83Å; H277-H282 AromaticContact NE2-NE2 3.59Å |
| 278 | V | 82.9 | Confident | 80.3 | Confident | 36 Ų | 36 | 74.1 Ų | 74.1 | 22% | 0.218 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -56.4 | -48 | 177.5 | 171.6 | 0 | 0 | 0 | 0 | 110.2 | L274 Q280 H282 S283 | L274-V278 HydrophobicContact CD1-CG2 3.77Å; L274-V278 HydrophobicContact CG-CG2 4.39Å; L274-V278 WeakPolarHBondContact O-CG2 3.38Å; L274-V278 PolarHBondContact O-N 2.87Å; V278-Q280 VanDerWaalsContact C-N 3.3Å; V278-Q280 PolarHBondContact O-N 2.94Å; V278-H282 HydrophobicContact CG1-CB 4.49Å; V278-H282 CarbonylContact O-C 3.6Å; V278-H282 WeakPolarHBondContact O-CA 3.04Å; V278-H282 PolarHBondContact O-N 3.46Å; V278-S283 PolarHBondContact O-N 3Å |
| 279 | R | 81.6 | Confident | 80.4 | Confident | 143 Ų | 143 | 79.5 Ų | 79.5 | 54% | 0.54 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.2 | -33.7 | 174.7 | -69.9 | 174.9 | -174.1 | -109.1 | -5.9 | 113.6 | N275 H277 A298 | N275-R279 WeakPolarHBondContact O-CB 3.26Å; N275-R279 WeakPolarHBondContact O-CG 3.34Å; N275-R279 PolarHBondContact O-N 2.94Å; N275-R279 VanDerWaalsContact O-N 3.09Å; N275-R279 PolarHBondContact OD1-NE 3.17Å; H277-R279 VanDerWaalsContact C-N 3.32Å; H277-R279 PolarHBondContact O-N 2.77Å; R279-A298 WeakPolarHBondContact O-CB 3.38Å |
| 280 | Q | 77.2 | Confident | 80.7 | Confident | 102 Ų | 102 | 78.3 Ų | 78.3 | 48% | 0.477 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -86 | -26.3 | -176 | -77.8 | 169 | 67.1 | 0 | 0 | 114.8 | S276 H277 V278 A298 T299 | S276-Q280 WeakPolarHBondContact O-CB 3.06Å; S276-Q280 WeakPolarHBondContact O-CG 3.37Å; S276-Q280 PolarHBondContact O-N 3.16Å; S276-Q280 VanDerWaalsContact O-N 3.13Å; S276-Q280 PolarHBondContact O-NE2 3.34Å; H277-Q280 PolarHBondContact O-N 3.38Å; V278-Q280 VanDerWaalsContact C-N 3.3Å; V278-Q280 PolarHBondContact O-N 2.94Å; Q280-A298 HydrophobicContact CG-CB 4.3Å; Q280-T299 HydrophobicContact CG-CG2 3.87Å |
| 281 | V | 78.7 | Confident | 80.8 | Confident | 91 Ų | 91 | 82.3 Ų | 82.3 | 55% | 0.552 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -118.5 | -29.7 | -169.3 | -178.2 | 0 | 0 | 0 | 0 | 112.7 | H277 | H277-V281 WeakPolarHBondContact ND1-CG2 3.47Å; H277-V281 WeakPolarHBondContact O-CB 3.5Å; H277-V281 PolarHBondContact O-N 3.29Å |
| 282 | H | 79.8 | Confident | 80.7 | Confident | 64 Ų | 64 | 83.6 Ų | 83.6 | 30% | 0.296 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.2 | -17.7 | -174 | -61.8 | -67 | 0 | 0 | 0 | 114.1 | H263 C264 H277 V278 | H263-H282 HydrophobicContact CB-CB 4.29Å; H263-H282 WeakPolarHBondContact CB-ND1 3.28Å; H263-H282 AromaticContact CD2-CG 3.88Å; H263-H282 AromaticContact CG-CG 3.98Å; C264-H282 PolarHBondContact SG-NE2 3.48Å; H277-H282 AromaticContact CE1-CD2 4Å; H277-H282 AromaticContact CE1-NE2 3.69Å; H277-H282 AromaticContact NE2-CD2 3.83Å; H277-H282 AromaticContact NE2-NE2 3.59Å; V278-H282 HydrophobicContact CG1-CB 4.49Å; V278-H282 CarbonylContact O-C 3.6Å; V278-H282 WeakPolarHBondContact O-CA 3.04Å; V278-H282 PolarHBondContact O-N 3.46Å |
| 283 | S | 76.6 | Confident | 80.8 | Confident | 44 Ų | 44 | 83 Ų | 83 | 31% | 0.308 | 43% | 0.432 | S | S | . | . | trans | -85.5 | 128.8 | 169.4 | -169.1 | 0 | 0 | 0 | 0 | 111 | V278 E285 | V278-S283 PolarHBondContact O-N 3Å; S283-E285 VanDerWaalsContact C-N 3.27Å; S283-E285 WeakPolarHBondContact OG-CB 3.43Å; S283-E285 PolarHBondContact OG-N 2.95Å | ||
| 284 | T | 71.8 | Confident | 80.8 | Confident | 135 Ų | 135 | 86.9 Ų | 86.9 | 83% | 0.828 | 46% | 0.46 | S | S | * | . | trans | -74 | -19.9 | 167.3 | 47.9 | 0 | 0 | 0 | 0 | 112 | R286 | T284-R286 PolarHBondContact O-N 3.34Š| ||
| 285 | E | 75.4 | Confident | 80.6 | Confident | 141 Ų | 141 | 87.1 Ų | 87.1 | 66% | 0.659 | 47% | 0.465 | S | S | * | . | trans | -70.2 | 120 | -179.2 | -61.2 | -174.8 | 173.7 | 0 | 0 | 111.7 | S283 P287 | S283-E285 VanDerWaalsContact C-N 3.27Å; S283-E285 WeakPolarHBondContact OG-CB 3.43Å; S283-E285 PolarHBondContact OG-N 2.95Å; E285-P287 VanDerWaalsContact O-CD 3.27Å; E285-P287 WeakPolarHBondContact O-CD 3.18Å | ||
| 286 | R | 77.8 | Confident | 80.5 | Confident | 152 Ų | 152 | 84.2 Ų | 84.2 | 57% | 0.574 | 45% | 0.452 | S | S | * | . | trans | -120 | 70.4 | 177 | -71.2 | 174.2 | 166.4 | -154.7 | 9.9 | 110.3 | T284 F288 A296 F297 | T284-R286 PolarHBondContact O-N 3.34Å; R286-F288 PolarHBondContact O-N 3.23Å; R286-A296 HydrophobicContact CB-CB 3.69Å; R286-A296 WeakPolarHBondContact CD-O 3.45Å; R286-A296 PolarHBondContact NH1-O 3.45Å; R286-F297 CarbonylContact C-O 3.55Å | ||
| 287 | P | 80.1 | Confident | 80.5 | Confident | 86 Ų | 86 | 83.6 Ų | 83.6 | 56% | 0.558 | 44% | 0.444 | S | S | * | . | trans | -67.2 | -17 | -172.8 | 27 | -35.7 | 0 | 0 | 0 | 113.8 | E285 K289 | E285-P287 VanDerWaalsContact O-CD 3.27Å; E285-P287 WeakPolarHBondContact O-CD 3.18Å; P287-K289 PolarHBondContact O-N 3.16Å | ||
| 288 | F | 81.4 | Confident | 80.3 | Confident | 58 Ų | 58 | 83.5 Ų | 83.5 | 25% | 0.254 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 78.6 | -179.5 | -52.1 | -62.1 | 0 | 0 | 0 | 110.6 | R286 F297 T299 R300 L303 | R286-F288 PolarHBondContact O-N 3.23Å; F288-F297 WeakPolarHBondContact CB-O 3.39Å; F288-F297 PolarHBondContact N-O 2.8Å; F288-F297 VanDerWaalsContact N-O 3.09Å; F288-F297 PolarHBondContact O-N 2.73Å; F288-T299 VanDerWaalsContact CD2-C 3.46Å; F288-R300 HydrophobicContact CD1-CG 3.58Å; F288-R300 HydrophobicContact CD2-CG 4.09Å; F288-R300 HydrophobicContact CE1-CG 3.37Å; F288-R300 HydrophobicContact CE2-CG 3.89Å; F288-R300 HydrophobicContact CG-CG 3.94Å; F288-R300 HydrophobicContact CZ-CG 3.53Å; F288-L303 HydrophobicContact CB-CB 4.15Å; F288-L303 HydrophobicContact CB-CD2 3.88Å |
| 289 | K | 83.8 | Confident | 80.2 | Confident | 162 Ų | 162 | 83 Ų | 83 | 70% | 0.704 | 44% | 0.443 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 147 | 171.3 | -60.9 | -177.5 | -179.3 | -179.6 | 0 | 110.8 | P287 A296 L303 | P287-K289 PolarHBondContact O-N 3.16Å; K289-A296 HydrophobicContact CG-CB 4.04Å; K289-L303 WeakPolarHBondContact O-CD2 3.38Å |
| 290 | C | 85 | Confident | 80.2 | Confident | 14 Ų | 14 | 83.4 Ų | 83.4 | 10% | 0.095 | 45% | 0.445 | C | S | . | . | trans | -77.8 | 148.4 | 167.2 | -171.3 | 0 | 0 | 0 | 0 | 110.3 | T292 C293 S295 L303 H306 | C290-T292 PolarHBondContact SG-N 3.02Å; C290-C293 WeakPolarHBondContact CB-O 3.44Å; C290-S295 VanDerWaalsContact CB-O 3.32Å; C290-S295 WeakPolarHBondContact CB-O 3.43Å; C290-S295 PolarHBondContact N-O 3.42Å; C290-L303 HydrophobicContact CB-CD1 3.97Å; C290-H306 VanDerWaalsContact SG-CD2 3.51Å; C290-H306 PolarHBondContact SG-NE2 3.06Å; C290-H306 VanDerWaalsContact SG-NE2 3.39Å | ||
| 291 | T | 81.2 | Confident | 80.4 | Confident | 132 Ų | 132 | 83.5 Ų | 83.5 | 81% | 0.81 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -84 | -27.2 | 175.1 | 46.5 | 0 | 0 | 0 | 0 | 112.5 | ||
| 292 | T | 79.1 | Confident | 80.5 | Confident | 89 Ų | 89 | 86 Ų | 86 | 55% | 0.546 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -98.7 | -10.9 | -172.9 | -37.8 | 0 | 0 | 0 | 0 | 112.9 | C290 H310 | C290-T292 PolarHBondContact SG-N 3.02Å; T292-H310 HydrophobicContact CG2-CB 4.12Å |
| 293 | C | 83.3 | Confident | 80.6 | Confident | 48 Ų | 48 | 84.1 Ų | 84.1 | 32% | 0.324 | 44% | 0.44 | S | S | . | . | S | Bend | trans | -157.5 | 169.5 | 172.1 | 73.2 | 0 | 0 | 0 | 0 | 112.2 | C290 S295 H306 H310 | C290-C293 WeakPolarHBondContact CB-O 3.44Å; C293-S295 PolarHBondContact O-N 3.2Å; C293-S295 PolarHBondContact SG-OG 3.06Å; C293-H306 PolarHBondContact SG-NE2 3.26Å; C293-H310 PolarHBondContact SG-NE2 2.82Å |
| 294 | T | 83.4 | Confident | 80.9 | Confident | 151 Ų | 151 | 88.4 Ų | 88.4 | 93% | 0.926 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -65.2 | -4.3 | -177.7 | 54.3 | 0 | 0 | 0 | 0 | 115.6 | ||
| 295 | S | 80.1 | Confident | 81.3 | Confident | 36 Ų | 36 | 84.2 Ų | 84.2 | 25% | 0.252 | 43% | 0.429 | S | S | . | . | trans | -74.4 | 139.5 | -175.6 | 79.4 | 0 | 0 | 0 | 0 | 112.9 | C290 C293 F297 H306 | C290-S295 VanDerWaalsContact CB-O 3.32Å; C290-S295 WeakPolarHBondContact CB-O 3.43Å; C290-S295 PolarHBondContact N-O 3.42Å; C293-S295 PolarHBondContact O-N 3.2Å; C293-S295 PolarHBondContact SG-OG 3.06Å; S295-F297 WeakPolarHBondContact OG-CE2 3.47Å; S295-F297 WeakPolarHBondContact OG-CZ 3.35Å; S295-H306 PolarHBondContact OG-CE1 3.21Å; S295-H306 PolarHBondContact OG-NE2 2.87Å | ||
| 296 | A | 82.8 | Confident | 81.6 | Confident | 20 Ų | 20 | 78.1 Ų | 78.1 | 17% | 0.165 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 147.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | R286 K289 | R286-A296 HydrophobicContact CB-CB 3.69Å; R286-A296 WeakPolarHBondContact CD-O 3.45Å; R286-A296 PolarHBondContact NH1-O 3.45Å; K289-A296 HydrophobicContact CG-CB 4.04Å |
| 297 | F | 82.5 | Confident | 81.7 | Confident | 32 Ų | 32 | 73.3 Ų | 73.3 | 14% | 0.14 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 149.7 | -171.4 | -55 | -80.4 | 0 | 0 | 0 | 112.6 | R286 F288 S295 R302 L303 H306 | R286-F297 CarbonylContact C-O 3.55Å; F288-F297 WeakPolarHBondContact CB-O 3.39Å; F288-F297 PolarHBondContact N-O 2.8Å; F288-F297 VanDerWaalsContact N-O 3.09Å; F288-F297 PolarHBondContact O-N 2.73Å; S295-F297 WeakPolarHBondContact OG-CE2 3.47Å; S295-F297 WeakPolarHBondContact OG-CZ 3.35Å; F297-R302 HydrophobicContact CB-CB 4.45Å; F297-R302 HydrophobicContact CD1-CB 4.29Å; F297-R302 HydrophobicContact CD1-CG 3.67Å; F297-R302 HydrophobicContact CE1-CG 4.19Å; F297-R302 HydrophobicContact CG-CG 4.36Å; F297-L303 HydrophobicContact CB-CB 4.46Å; F297-L303 HydrophobicContact CD2-CB 3.93Å; F297-L303 HydrophobicContact CD2-CD1 3.89Å; F297-L303 HydrophobicContact CE2-CD1 4.08Å; F297-L303 HydrophobicContact CG-CB 4.46Å; F297-H306 HydrophobicContact CE1-CB 4.28Å; F297-H306 HydrophobicContact CE2-CB 3.76Å; F297-H306 AromaticContact CE2-CD2 3.48Å; F297-H306 VanDerWaalsContact CE2-CD2 3.48Å; F297-H306 WeakPolarHBondContact CE2-CD2 3.34Å; F297-H306 AromaticContact CE2-CG 3.56Å; F297-H306 HydrophobicContact CZ-CB 3.56Å; F297-H306 AromaticContact CZ-CD2 3.71Å; F297-H306 AromaticContact CZ-CG 3.35Å; F297-H306 AromaticContact CZ-ND1 3.72Å |
| 298 | A | 82 | Confident | 81.6 | Confident | 18 Ų | 18 | 72 Ų | 72 | 15% | 0.149 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -77.7 | -15.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | R279 Q280 | R279-A298 WeakPolarHBondContact O-CB 3.38Å; Q280-A298 HydrophobicContact CG-CB 4.3Å |
| 299 | T | 81.3 | Confident | 81 | Confident | 25 Ų | 25 | 76.9 Ų | 76.9 | 15% | 0.153 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -135.9 | 142.3 | -179 | 63.3 | 0 | 0 | 0 | 0 | 112.9 | Q280 F288 D301 R302 L303 | Q280-T299 HydrophobicContact CG-CG2 3.87Å; F288-T299 VanDerWaalsContact CD2-C 3.46Å; T299-D301 PolarHBondContact O-N 3.19Å; T299-R302 PolarHBondContact O-N 3.47Å; T299-R302 WeakPolarHBondContact OG1-CB 3.18Å; T299-R302 PolarHBondContact OG1-N 3.17Å; T299-L303 PolarHBondContact O-N 3.01Å; T299-L303 VanDerWaalsContact O-N 3.12Å |
| 300 | R | 81.4 | Confident | 80.4 | Confident | 151 Ų | 151 | 72.5 Ų | 72.5 | 57% | 0.57 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -59.1 | -34.7 | 177.4 | -65.7 | -167.9 | 72.6 | 116.7 | 3.1 | 112.6 | F288 L303 R304 | F288-R300 HydrophobicContact CD1-CG 3.58Å; F288-R300 HydrophobicContact CD2-CG 4.09Å; F288-R300 HydrophobicContact CE1-CG 3.37Å; F288-R300 HydrophobicContact CE2-CG 3.89Å; F288-R300 HydrophobicContact CG-CG 3.94Å; F288-R300 HydrophobicContact CZ-CG 3.53Å; R300-L303 PolarHBondContact O-N 3.41Å; R300-R304 WeakPolarHBondContact O-CG 3.41Å; R300-R304 PolarHBondContact O-N 3.27Å |
| 301 | D | 81.2 | Confident | 79.8 | Confident | 104 Ų | 104 | 75.5 Ų | 75.5 | 56% | 0.556 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -73.9 | -29.5 | -178.4 | -57.9 | -65 | 0 | 0 | 0 | 112.5 | T299 R304 A305 | T299-D301 PolarHBondContact O-N 3.19Å; D301-R304 IonicContact OD1-CZ 3.78Å; D301-R304 IonicContact OD1-NH1 2.68Å; D301-R304 PolarHBondContact OD1-NH1 2.91Å; D301-A305 WeakPolarHBondContact O-CB 3.46Å; D301-A305 PolarHBondContact O-N 2.87Å |
| 302 | R | 80 | Confident | 79.1 | Confident | 143 Ų | 143 | 77.2 Ų | 77.2 | 54% | 0.54 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -74.9 | -35 | 170.1 | -167.6 | 53.8 | 168.8 | 171.2 | -3.8 | 112.2 | F297 T299 A305 H306 | F297-R302 HydrophobicContact CB-CB 4.45Å; F297-R302 HydrophobicContact CD1-CB 4.29Å; F297-R302 HydrophobicContact CD1-CG 3.67Å; F297-R302 HydrophobicContact CE1-CG 4.19Å; F297-R302 HydrophobicContact CG-CG 4.36Å; T299-R302 PolarHBondContact O-N 3.47Å; T299-R302 WeakPolarHBondContact OG1-CB 3.18Å; T299-R302 PolarHBondContact OG1-N 3.17Å; R302-A305 PolarHBondContact O-N 3.25Å; R302-H306 WeakPolarHBondContact O-CB 3.17Å; R302-H306 PolarHBondContact O-N 2.85Å |
| 303 | L | 83.6 | Confident | 79 | Confident | 25 Ų | 25 | 78.2 Ų | 78.2 | 13% | 0.131 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -60.8 | -47.5 | 168.8 | 173.5 | 60.4 | 0 | 0 | 0 | 111.2 | F288 K289 C290 F297 T299 R300 A305 H306 L307 | F288-L303 HydrophobicContact CB-CB 4.15Å; F288-L303 HydrophobicContact CB-CD2 3.88Å; K289-L303 WeakPolarHBondContact O-CD2 3.38Å; C290-L303 HydrophobicContact CB-CD1 3.97Å; F297-L303 HydrophobicContact CB-CB 4.46Å; F297-L303 HydrophobicContact CD2-CB 3.93Å; F297-L303 HydrophobicContact CD2-CD1 3.89Å; F297-L303 HydrophobicContact CE2-CD1 4.08Å; F297-L303 HydrophobicContact CG-CB 4.46Å; T299-L303 PolarHBondContact O-N 3.01Å; T299-L303 VanDerWaalsContact O-N 3.12Å; R300-L303 PolarHBondContact O-N 3.41Å; L303-A305 PolarHBondContact O-N 3.29Å; L303-H306 CarbonylContact O-C 3.38Å; L303-H306 WeakPolarHBondContact O-CA 3.49Å; L303-H306 WeakPolarHBondContact O-CB 3.46Å; L303-H306 PolarHBondContact O-N 3.26Å; L303-L307 HydrophobicContact CD1-CD1 4.13Å; L303-L307 HydrophobicContact CD1-CD2 4.34Å; L303-L307 HydrophobicContact CD1-CG 3.94Å; L303-L307 HydrophobicContact CG-CD1 4Å; L303-L307 HydrophobicContact CG-CG 4.29Å; L303-L307 WeakPolarHBondContact O-CG 3.26Å; L303-L307 PolarHBondContact O-N 2.86Å |
| 304 | R | 82.5 | Confident | 78.6 | Confident | 134 Ų | 134 | 78.7 Ų | 78.7 | 51% | 0.506 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -54.2 | -51.9 | 173.6 | -73.8 | 169.1 | 176.7 | 137.9 | -0.9 | 111.6 | R300 D301 H306 L307 I308 | R300-R304 WeakPolarHBondContact O-CG 3.41Å; R300-R304 PolarHBondContact O-N 3.27Å; D301-R304 IonicContact OD1-CZ 3.78Å; D301-R304 IonicContact OD1-NH1 2.68Å; D301-R304 PolarHBondContact OD1-NH1 2.91Å; R304-H306 PolarHBondContact O-N 3.4Å; R304-H306 VanDerWaalsContact O-N 3.11Å; R304-L307 PolarHBondContact O-N 3.31Å; R304-I308 WeakPolarHBondContact O-CG1 3.35Å; R304-I308 PolarHBondContact O-N 3.19Å |
| 305 | A | 80.1 | Confident | 78.1 | Confident | 48 Ų | 48 | 75.1 Ų | 75.1 | 40% | 0.397 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.3 | -13.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | D301 R302 L303 | D301-A305 WeakPolarHBondContact O-CB 3.46Å; D301-A305 PolarHBondContact O-N 2.87Å; R302-A305 PolarHBondContact O-N 3.25Å; L303-A305 PolarHBondContact O-N 3.29Å |
| 306 | H | 81.8 | Confident | 77.9 | Confident | 12 Ų | 12 | 73.5 Ų | 73.5 | 6% | 0.056 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -93.3 | -38.8 | 172 | 169.9 | 75.5 | 0 | 0 | 0 | 112.6 | C290 C293 S295 F297 R302 L303 R304 I308 R309 H310 | C290-H306 VanDerWaalsContact SG-CD2 3.51Å; C290-H306 PolarHBondContact SG-NE2 3.06Å; C290-H306 VanDerWaalsContact SG-NE2 3.39Å; C293-H306 PolarHBondContact SG-NE2 3.26Å; S295-H306 PolarHBondContact OG-CE1 3.21Å; S295-H306 PolarHBondContact OG-NE2 2.87Å; F297-H306 HydrophobicContact CE1-CB 4.28Å; F297-H306 HydrophobicContact CE2-CB 3.76Å; F297-H306 AromaticContact CE2-CD2 3.48Å; F297-H306 VanDerWaalsContact CE2-CD2 3.48Å; F297-H306 WeakPolarHBondContact CE2-CD2 3.34Å; F297-H306 AromaticContact CE2-CG 3.56Å; F297-H306 HydrophobicContact CZ-CB 3.56Å; F297-H306 AromaticContact CZ-CD2 3.71Å; F297-H306 AromaticContact CZ-CG 3.35Å; F297-H306 AromaticContact CZ-ND1 3.72Å; R302-H306 WeakPolarHBondContact O-CB 3.17Å; R302-H306 PolarHBondContact O-N 2.85Å; L303-H306 CarbonylContact O-C 3.38Å; L303-H306 WeakPolarHBondContact O-CA 3.49Å; L303-H306 WeakPolarHBondContact O-CB 3.46Å; L303-H306 PolarHBondContact O-N 3.26Å; R304-H306 PolarHBondContact O-N 3.4Å; R304-H306 VanDerWaalsContact O-N 3.11Å; H306-I308 PolarHBondContact O-N 3.18Å; H306-R309 WeakPolarHBondContact O-CB 3.5Å; H306-R309 PolarHBondContact O-N 2.92Å; H306-H310 AromaticContact CD2-CD2 4Å; H306-H310 AromaticContact CD2-NE2 3.83Å; H306-H310 AromaticContact CE1-NE2 3.41Å; H306-H310 PolarHBondContact CE1-NE2 3.35Å; H306-H310 AromaticContact NE2-CD2 3.54Å; H306-H310 AromaticContact NE2-NE2 2.93Å; H306-H310 PolarHBondContact NE2-NE2 2.95Å |
| 307 | L | 80 | Confident | 77.2 | Confident | 52 Ų | 52 | 80.3 Ų | 80.3 | 27% | 0.272 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -59 | -33.6 | 174.4 | -70.5 | 168.9 | 0 | 0 | 0 | 111.6 | L303 R304 R309 H310 E311 | L303-L307 HydrophobicContact CD1-CD1 4.13Å; L303-L307 HydrophobicContact CD1-CD2 4.34Å; L303-L307 HydrophobicContact CD1-CG 3.94Å; L303-L307 HydrophobicContact CG-CD1 4Å; L303-L307 HydrophobicContact CG-CG 4.29Å; L303-L307 WeakPolarHBondContact O-CG 3.26Å; L303-L307 PolarHBondContact O-N 2.86Å; R304-L307 PolarHBondContact O-N 3.31Å; L307-R309 PolarHBondContact O-N 3.33Å; L307-H310 WeakPolarHBondContact O-CA 3.32Å; L307-H310 PolarHBondContact O-N 3.5Å; L307-E311 PolarHBondContact O-N 2.63Å |
| 308 | I | 76.6 | Confident | 76.5 | Confident | 59 Ų | 59 | 83 Ų | 83 | 30% | 0.303 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -10.8 | 170.5 | -67.4 | 172.2 | 0 | 0 | 0 | 113.8 | R304 H306 E311 S324 A326 | R304-I308 WeakPolarHBondContact O-CG1 3.35Å; R304-I308 PolarHBondContact O-N 3.19Å; H306-I308 PolarHBondContact O-N 3.18Å; I308-E311 WeakPolarHBondContact CG1-OE1 3.46Å; I308-S324 WeakPolarHBondContact CG2-OG 3.39Å; I308-S324 WeakPolarHBondContact O-CB 3.38Å; I308-A326 HydrophobicContact CD1-CB 4.2Å; I308-A326 HydrophobicContact CG1-CB 4.48Å |
| 309 | R | 69.8 | Low | 75.9 | Confident | 159 Ų | 159 | 84.3 Ų | 84.3 | 60% | 0.6 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | -26.1 | 170.8 | -168.5 | -173.6 | -62.9 | 158.6 | -2 | 113.5 | H306 L307 | H306-R309 WeakPolarHBondContact O-CB 3.5Å; H306-R309 PolarHBondContact O-N 2.92Å; L307-R309 PolarHBondContact O-N 3.33Å |
| 310 | H | 71.2 | Confident | 75.3 | Confident | 71 Ų | 71 | 85.8 Ų | 85.8 | 33% | 0.329 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -21.5 | 176.2 | -62.4 | -66.7 | 0 | 0 | 0 | 112 | T292 C293 H306 L307 | T292-H310 HydrophobicContact CG2-CB 4.12Å; C293-H310 PolarHBondContact SG-NE2 2.82Å; H306-H310 AromaticContact CD2-CD2 4Å; H306-H310 AromaticContact CD2-NE2 3.83Å; H306-H310 AromaticContact CE1-NE2 3.41Å; H306-H310 PolarHBondContact CE1-NE2 3.35Å; H306-H310 AromaticContact NE2-CD2 3.54Å; H306-H310 AromaticContact NE2-NE2 2.93Å; H306-H310 PolarHBondContact NE2-NE2 2.95Å; L307-H310 WeakPolarHBondContact O-CA 3.32Å; L307-H310 PolarHBondContact O-N 3.5Å |
| 311 | E | 71.5 | Confident | 74.8 | Confident | 77 Ų | 77 | 83.9 Ų | 83.9 | 36% | 0.36 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -53.9 | 135.4 | 161.5 | -73.3 | 170.4 | -159.1 | 0 | 0 | 110.3 | L307 I308 K313 | L307-E311 PolarHBondContact O-N 2.63Å; I308-E311 WeakPolarHBondContact CG1-OE1 3.46Å; E311-K313 PolarHBondContact O-N 3.25Å |
| 312 | E | 67.5 | Low | 74.3 | Confident | 168 Ų | 168 | 84.3 Ų | 84.3 | 79% | 0.785 | 42% | 0.418 | S | S | * | . | trans | -55.9 | 133.6 | 175.1 | -166.7 | -171.1 | 148.5 | 0 | 0 | 110.5 | V314 | E312-V314 PolarHBondContact O-N 3.04Š| ||
| 313 | K | 76.4 | Confident | 74.1 | Confident | 109 Ų | 109 | 78.6 Ų | 78.6 | 47% | 0.474 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 99.6 | -177.4 | -61 | 177.7 | -169.8 | 163.8 | 0 | 109.8 | E311 L322 L323 | E311-K313 PolarHBondContact O-N 3.25Å; K313-L322 HydrophobicContact CB-CB 3.75Å; K313-L322 HydrophobicContact CB-CD2 4.49Å; K313-L322 HydrophobicContact CD-CB 4.02Å; K313-L322 VanDerWaalsContact O-CD2 3.28Å; K313-L322 WeakPolarHBondContact O-CD2 3.46Å; K313-L323 CarbonylContact C-O 3.54Å; K313-L323 WeakPolarHBondContact CA-O 3.42Å |
| 314 | V | 74.6 | Confident | 73.6 | Confident | 59 Ų | 59 | 78 Ų | 78 | 36% | 0.358 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.1 | 127.2 | 172.4 | -172.5 | 0 | 0 | 0 | 0 | 109.8 | E312 L323 A325 I328 | E312-V314 PolarHBondContact O-N 3.04Å; V314-L323 PolarHBondContact N-O 3.36Å; V314-L323 PolarHBondContact O-N 2.86Å; V314-L323 VanDerWaalsContact O-O 3.06Å; V314-A325 HydrophobicContact CG2-CB 4.42Å; V314-I328 HydrophobicContact CB-CD1 3.9Å; V314-I328 HydrophobicContact CG1-CD1 3.65Å |
| 315 | P | 72.3 | Confident | 73 | Confident | 76 Ų | 76 | 74.4 Ų | 74.4 | 49% | 0.494 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 133.3 | 172.3 | 27.1 | -32.7 | 0 | 0 | 0 | 110.8 | H317 L322 | P315-H317 PolarHBondContact O-N 3.42Å; P315-L322 HydrophobicContact CB-CD2 3.92Å |
| 316 | C | 76.8 | Confident | 72.4 | Confident | 2 Ų | 2 | 75.2 Ų | 75.2 | 1% | 0.014 | 40% | 0.402 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 116.4 | 167.6 | 169.1 | 0 | 0 | 0 | 0 | 110.3 | I318 C319 G320 K321 L323 M332 H335 | C316-I318 PolarHBondContact O-N 2.79Å; C316-I318 PolarHBondContact SG-N 3.04Å; C316-I318 VanDerWaalsContact SG-N 3.42Å; C316-C319 PolarHBondContact O-N 2.99Å; C316-C319 PolarHBondContact SG-N 2.96Å; C316-C319 VanDerWaalsContact SG-SG 3.67Å; C316-G320 WeakPolarHBondContact O-CA 3.36Å; C316-G320 PolarHBondContact O-N 3.29Å; C316-K321 HydrophobicContact CB-CB 4.47Å; C316-K321 WeakPolarHBondContact CB-O 3.17Å; C316-K321 PolarHBondContact N-O 3.42Å; C316-L323 HydrophobicContact CB-CD1 3.88Å; C316-M332 HydrophobicContact CB-CE 4.06Å; C316-M332 WeakPolarHBondContact SG-CE 3.17Å; C316-H335 PolarHBondContact SG-NE2 3.41Å |
| 317 | H | 69.3 | Low | 71.9 | Confident | 162 Ų | 162 | 81.1 Ų | 81.1 | 75% | 0.75 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -2.1 | 179.5 | 75.6 | 84.3 | 0 | 0 | 0 | 115.4 | P315 | P315-H317 PolarHBondContact O-N 3.42Š|
| 318 | I | 66.6 | Low | 71.5 | Confident | 89 Ų | 89 | 79.9 Ų | 79.9 | 46% | 0.456 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109 | -31.1 | -179.6 | -51.2 | 176.2 | 0 | 0 | 0 | 111.7 | C316 M332 H335 | C316-I318 PolarHBondContact O-N 2.79Å; C316-I318 PolarHBondContact SG-N 3.04Å; C316-I318 VanDerWaalsContact SG-N 3.42Å; I318-M332 HydrophobicContact CD1-SD 4.24Å; I318-H335 HydrophobicContact CD1-CB 3.61Å; I318-H335 WeakPolarHBondContact CG2-ND1 3.46Å |
| 319 | C | 69.9 | Low | 71.3 | Confident | 45 Ų | 45 | 82 Ų | 82 | 30% | 0.304 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -142.6 | 19.2 | -177.2 | 74.9 | 0 | 0 | 0 | 0 | 115.3 | C316 K321 H331 H335 | C316-C319 PolarHBondContact O-N 2.99Å; C316-C319 PolarHBondContact SG-N 2.96Å; C316-C319 VanDerWaalsContact SG-SG 3.67Å; C319-K321 PolarHBondContact O-N 3.06Å; C319-H331 PolarHBondContact SG-NE2 3.41Å; C319-H335 WeakPolarHBondContact CB-CE1 3.38Å; C319-H335 PolarHBondContact SG-CE1 3.48Å; C319-H335 PolarHBondContact SG-NE2 3.05Å |
| 320 | G | 67.9 | Low | 71.4 | Confident | 56 Ų | 56 | 77.7 Ų | 77.7 | 58% | 0.577 | 42% | 0.422 | S | S | * | . | trans | 65.8 | -6.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | C316 L322 | C316-G320 WeakPolarHBondContact O-CA 3.36Å; C316-G320 PolarHBondContact O-N 3.29Å; G320-L322 PolarHBondContact O-N 2.76Å | ||
| 321 | K | 71.3 | Confident | 71.6 | Confident | 112 Ų | 112 | 75 Ų | 75 | 49% | 0.487 | 41% | 0.41 | S | S | . | . | trans | -63 | 124 | -176.4 | -70.8 | 178.5 | -173.8 | 173.1 | 0 | 110.3 | C316 C319 L323 | C316-K321 HydrophobicContact CB-CB 4.47Å; C316-K321 WeakPolarHBondContact CB-O 3.17Å; C316-K321 PolarHBondContact N-O 3.42Å; C319-K321 PolarHBondContact O-N 3.06Å; K321-L323 HydrophobicContact CB-CD1 4.16Å; K321-L323 HydrophobicContact CB-CG 4.37Å; K321-L323 WeakPolarHBondContact O-CD1 3.38Å; K321-L323 PolarHBondContact O-N 3.1Å | ||
| 322 | L | 71.1 | Confident | 71.5 | Confident | 113 Ų | 113 | 73.4 Ų | 73.4 | 59% | 0.592 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 109.9 | 174.6 | -67.4 | 170.8 | 0 | 0 | 0 | 109.6 | K313 P315 G320 | K313-L322 HydrophobicContact CB-CB 3.75Å; K313-L322 HydrophobicContact CB-CD2 4.49Å; K313-L322 HydrophobicContact CD-CB 4.02Å; K313-L322 VanDerWaalsContact O-CD2 3.28Å; K313-L322 WeakPolarHBondContact O-CD2 3.46Å; P315-L322 HydrophobicContact CB-CD2 3.92Å; G320-L322 PolarHBondContact O-N 2.76Å |
| 323 | L | 74.4 | Confident | 71.8 | Confident | 23 Ų | 23 | 72.4 Ų | 72.4 | 12% | 0.12 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 153.4 | 177.3 | -30.9 | 97.7 | 0 | 0 | 0 | 110.8 | K313 V314 C316 K321 Y327 I328 H331 | K313-L323 CarbonylContact C-O 3.54Å; K313-L323 WeakPolarHBondContact CA-O 3.42Å; V314-L323 PolarHBondContact N-O 3.36Å; V314-L323 PolarHBondContact O-N 2.86Å; V314-L323 VanDerWaalsContact O-O 3.06Å; C316-L323 HydrophobicContact CB-CD1 3.88Å; K321-L323 HydrophobicContact CB-CD1 4.16Å; K321-L323 HydrophobicContact CB-CG 4.37Å; K321-L323 WeakPolarHBondContact O-CD1 3.38Å; K321-L323 PolarHBondContact O-N 3.1Å; L323-Y327 HydrophobicContact CB-CD1 4.35Å; L323-Y327 HydrophobicContact CD2-CD1 3.69Å; L323-Y327 HydrophobicContact CD2-CE1 3.98Å; L323-I328 HydrophobicContact CD1-CB 4.47Å; L323-I328 HydrophobicContact CD1-CG1 4.15Å; L323-H331 HydrophobicContact CD1-CB 4.37Å; L323-H331 WeakPolarHBondContact CD1-CD2 3.45Å; L323-H331 HydrophobicContact CD2-CB 3.83Å |
| 324 | S | 73.8 | Confident | 71.3 | Confident | 12 Ų | 12 | 69.1 Ų | 69.1 | 8% | 0.084 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 152.8 | 176 | 53.8 | 0 | 0 | 0 | 0 | 112.6 | I308 A326 Y327 I328 | I308-S324 WeakPolarHBondContact CG2-OG 3.39Å; I308-S324 WeakPolarHBondContact O-CB 3.38Å; S324-A326 PolarHBondContact O-N 3.22Å; S324-A326 VanDerWaalsContact O-N 3.17Å; S324-Y327 PolarHBondContact O-N 3.42Å; S324-Y327 WeakPolarHBondContact OG-CB 3.43Å; S324-I328 PolarHBondContact O-N 2.93Å |
| 325 | A | 69.7 | Low | 70.9 | Confident | 58 Ų | 58 | 67.3 Ų | 67.3 | 48% | 0.479 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -55.8 | -33.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | V314 Y327 | V314-A325 HydrophobicContact CG2-CB 4.42Å; A325-Y327 VanDerWaalsContact C-N 3.34Å; A325-Y327 PolarHBondContact O-N 2.85Å |
| 326 | A | 67.3 | Low | 70.6 | Confident | 66 Ų | 66 | 70.3 Ų | 70.3 | 55% | 0.545 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -67.1 | -29.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | I308 S324 | I308-A326 HydrophobicContact CD1-CB 4.2Å; I308-A326 HydrophobicContact CG1-CB 4.48Å; S324-A326 PolarHBondContact O-N 3.22Å; S324-A326 VanDerWaalsContact O-N 3.17Å |
| 327 | Y | 71.3 | Confident | 69.8 | Low | 135 Ų | 135 | 75.9 Ų | 75.9 | 53% | 0.529 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -103.5 | -25.8 | -173.8 | -165.6 | -106.3 | 0 | 0 | 0 | 113.6 | L323 S324 A325 T329 D330 H331 | L323-Y327 HydrophobicContact CB-CD1 4.35Å; L323-Y327 HydrophobicContact CD2-CD1 3.69Å; L323-Y327 HydrophobicContact CD2-CE1 3.98Å; S324-Y327 PolarHBondContact O-N 3.42Å; S324-Y327 WeakPolarHBondContact OG-CB 3.43Å; A325-Y327 VanDerWaalsContact C-N 3.34Å; A325-Y327 PolarHBondContact O-N 2.85Å; Y327-T329 PolarHBondContact O-N 3.15Å; Y327-D330 PolarHBondContact O-N 3.37Å; Y327-H331 PolarHBondContact O-N 3.14Å |
| 328 | I | 71.8 | Confident | 69 | Low | 26 Ų | 26 | 73 Ų | 73 | 13% | 0.133 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -57.7 | -34.1 | 178.8 | -166.3 | 168.6 | 0 | 0 | 0 | 112.2 | V314 L323 S324 D330 H331 M332 | V314-I328 HydrophobicContact CB-CD1 3.9Å; V314-I328 HydrophobicContact CG1-CD1 3.65Å; L323-I328 HydrophobicContact CD1-CB 4.47Å; L323-I328 HydrophobicContact CD1-CG1 4.15Å; S324-I328 PolarHBondContact O-N 2.93Å; I328-D330 PolarHBondContact O-N 3.48Å; I328-H331 CarbonylContact O-C 3.55Å; I328-H331 PolarHBondContact O-N 3Å; I328-M332 HydrophobicContact CG1-CE 3.82Å; I328-M332 WeakPolarHBondContact O-CG 3.48Å; I328-M332 PolarHBondContact O-N 2.81Å |
| 329 | T | 73.2 | Confident | 68.6 | Low | 103 Ų | 103 | 75.4 Ų | 75.4 | 63% | 0.632 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -63.3 | -37.4 | 176.4 | -60.7 | 0 | 0 | 0 | 0 | 112.8 | Y327 | Y327-T329 PolarHBondContact O-N 3.15Å |
| 330 | D | 71.1 | Confident | 68.4 | Low | 69 Ų | 69 | 76.8 Ų | 76.8 | 37% | 0.369 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -81.1 | -31.7 | 176 | -157.4 | 54.9 | 0 | 0 | 0 | 111.4 | Y327 I328 M332 R333 | Y327-D330 PolarHBondContact O-N 3.37Å; I328-D330 PolarHBondContact O-N 3.48Å; D330-M332 VanDerWaalsContact C-N 3.3Å; D330-M332 PolarHBondContact O-N 3.36Å; D330-R333 WeakPolarHBondContact O-CB 3.27Å; D330-R333 PolarHBondContact O-N 3.44Å; D330-R333 IonicContact OD1-CZ 3.24Å; D330-R333 IonicContact OD1-NE 2.99Å; D330-R333 PolarHBondContact OD1-NE 3.45Å; D330-R333 IonicContact OD1-NH2 2.66Å; D330-R333 PolarHBondContact OD1-NH2 3.37Å |
| 331 | H | 75.1 | Confident | 68.4 | Low | 14 Ų | 14 | 76.7 Ų | 76.7 | 7% | 0.065 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -61.8 | -35.5 | 168.5 | -177.5 | 48.4 | 0 | 0 | 0 | 112.6 | C319 L323 Y327 I328 R333 V334 H335 | C319-H331 PolarHBondContact SG-NE2 3.41Å; L323-H331 HydrophobicContact CD1-CB 4.37Å; L323-H331 WeakPolarHBondContact CD1-CD2 3.45Å; L323-H331 HydrophobicContact CD2-CB 3.83Å; Y327-H331 PolarHBondContact O-N 3.14Å; I328-H331 CarbonylContact O-C 3.55Å; I328-H331 PolarHBondContact O-N 3Å; H331-R333 PolarHBondContact O-N 2.83Å; H331-V334 WeakPolarHBondContact O-CA 3.42Å; H331-V334 VanDerWaalsContact O-CB 3.23Å; H331-V334 WeakPolarHBondContact O-CB 3.42Å; H331-V334 PolarHBondContact O-N 3.13Å; H331-H335 AromaticContact CD2-NE2 3.04Å; H331-H335 PolarHBondContact CD2-NE2 3.1Å; H331-H335 AromaticContact CE1-CD2 3.88Å; H331-H335 AromaticContact CE1-NE2 2.64Å; H331-H335 PolarHBondContact CE1-NE2 3.36Å; H331-H335 AromaticContact CG-NE2 3.83Å; H331-H335 AromaticContact ND1-NE2 3.63Å; H331-H335 AromaticContact NE2-CD2 3.75Å; H331-H335 AromaticContact NE2-NE2 2.14Å; H331-H335 PolarHBondContact NE2-NE2 2.92Å; H331-H335 PolarHBondContact O-CD2 3.43Å; H331-H335 PolarHBondContact O-N 3.45Å |
| 332 | M | 69.4 | Low | 68.2 | Low | 44 Ų | 44 | 73.5 Ų | 73.5 | 22% | 0.217 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -64.2 | -25.6 | 173 | -71.9 | -46.4 | 96.5 | 0 | 0 | 112.2 | C316 I318 I328 D330 V334 H335 N336 | C316-M332 HydrophobicContact CB-CE 4.06Å; C316-M332 WeakPolarHBondContact SG-CE 3.17Å; I318-M332 HydrophobicContact CD1-SD 4.24Å; I328-M332 HydrophobicContact CG1-CE 3.82Å; I328-M332 WeakPolarHBondContact O-CG 3.48Å; I328-M332 PolarHBondContact O-N 2.81Å; D330-M332 VanDerWaalsContact C-N 3.3Å; D330-M332 PolarHBondContact O-N 3.36Å; M332-V334 PolarHBondContact O-N 2.95Å; M332-H335 PolarHBondContact O-N 3.37Å; M332-N336 VanDerWaalsContact O-CB 3.28Å; M332-N336 WeakPolarHBondContact O-CB 3.23Å; M332-N336 PolarHBondContact O-N 3.24Å |
| 333 | R | 74.1 | Confident | 68.5 | Low | 147 Ų | 147 | 68.3 Ų | 68.3 | 56% | 0.555 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -63.1 | -33.9 | 170.3 | -164 | -156.4 | -57.4 | -99.8 | 0.8 | 111.7 | D330 H331 H335 N336 Q337 | D330-R333 WeakPolarHBondContact O-CB 3.27Å; D330-R333 PolarHBondContact O-N 3.44Å; D330-R333 IonicContact OD1-CZ 3.24Å; D330-R333 IonicContact OD1-NE 2.99Å; D330-R333 PolarHBondContact OD1-NE 3.45Å; D330-R333 IonicContact OD1-NH2 2.66Å; D330-R333 PolarHBondContact OD1-NH2 3.37Å; H331-R333 PolarHBondContact O-N 2.83Å; R333-H335 VanDerWaalsContact C-N 3.29Å; R333-N336 PolarHBondContact O-N 2.87Å; R333-Q337 WeakPolarHBondContact O-CB 3.38Å; R333-Q337 VanDerWaalsContact O-CG 3.27Å; R333-Q337 WeakPolarHBondContact O-CG 3.42Å; R333-Q337 PolarHBondContact O-N 3.2Å |
| 334 | V | 67.1 | Low | 68.4 | Low | 41 Ų | 41 | 75 Ų | 75 | 25% | 0.248 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -68.3 | -31.4 | 177.9 | -171 | 0 | 0 | 0 | 0 | 111 | H331 M332 T351 | H331-V334 WeakPolarHBondContact O-CA 3.42Å; H331-V334 VanDerWaalsContact O-CB 3.23Å; H331-V334 WeakPolarHBondContact O-CB 3.42Å; H331-V334 PolarHBondContact O-N 3.13Å; M332-V334 PolarHBondContact O-N 2.95Å; V334-T351 VanDerWaalsContact CG1-CB 3.46Å; V334-T351 HydrophobicContact CG1-CG2 3.41Å; V334-T351 VanDerWaalsContact CG1-CG2 3.41Å |
| 335 | H | 66.6 | Low | 68.5 | Low | 20 Ų | 20 | 78.5 Ų | 78.5 | 9% | 0.093 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -81.6 | -35.9 | 173.9 | -66.6 | -78.9 | 0 | 0 | 0 | 113.5 | C316 I318 C319 H331 M332 R333 Q337 H340 | C316-H335 PolarHBondContact SG-NE2 3.41Å; I318-H335 HydrophobicContact CD1-CB 3.61Å; I318-H335 WeakPolarHBondContact CG2-ND1 3.46Å; C319-H335 WeakPolarHBondContact CB-CE1 3.38Å; C319-H335 PolarHBondContact SG-CE1 3.48Å; C319-H335 PolarHBondContact SG-NE2 3.05Å; H331-H335 AromaticContact CD2-NE2 3.04Å; H331-H335 PolarHBondContact CD2-NE2 3.1Å; H331-H335 AromaticContact CE1-CD2 3.88Å; H331-H335 AromaticContact CE1-NE2 2.64Å; H331-H335 PolarHBondContact CE1-NE2 3.36Å; H331-H335 AromaticContact CG-NE2 3.83Å; H331-H335 AromaticContact ND1-NE2 3.63Å; H331-H335 AromaticContact NE2-CD2 3.75Å; H331-H335 AromaticContact NE2-NE2 2.14Å; H331-H335 PolarHBondContact NE2-NE2 2.92Å; H331-H335 PolarHBondContact O-CD2 3.43Å; H331-H335 PolarHBondContact O-N 3.45Å; M332-H335 PolarHBondContact O-N 3.37Å; R333-H335 VanDerWaalsContact C-N 3.29Å; H335-Q337 VanDerWaalsContact C-N 3.3Å; H335-H340 WeakPolarHBondContact CA-NE2 3.43Å; H335-H340 WeakPolarHBondContact CB-NE2 3.45Å; H335-H340 AromaticContact CG-NE2 3.62Å; H335-H340 AromaticContact ND1-NE2 3.15Å; H335-H340 PolarHBondContact ND1-NE2 3.11Å; H335-H340 VanDerWaalsContact ND1-NE2 3.15Å; H335-H340 PolarHBondContact O-NE2 2.68Å |
| 336 | N | 64.1 | Low | 68.8 | Low | 140 Ų | 140 | 78.5 Ų | 78.5 | 75% | 0.749 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -74.7 | -21.5 | 178.3 | -163.6 | -48.2 | 0 | 0 | 0 | 111.9 | M332 R333 S338 | M332-N336 VanDerWaalsContact O-CB 3.28Å; M332-N336 WeakPolarHBondContact O-CB 3.23Å; M332-N336 PolarHBondContact O-N 3.24Å; R333-N336 PolarHBondContact O-N 2.87Å; N336-S338 VanDerWaalsContact C-N 3.33Å; N336-S338 PolarHBondContact O-N 3.18Å |
| 337 | Q | 61.5 | Low | 68.7 | Low | 118 Ų | 118 | 81.6 Ų | 81.6 | 55% | 0.551 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -73.8 | 90 | 161.2 | -74 | 173.9 | 3.5 | 0 | 0 | 108.6 | R333 H335 Q339 | R333-Q337 WeakPolarHBondContact O-CB 3.38Å; R333-Q337 VanDerWaalsContact O-CG 3.27Å; R333-Q337 WeakPolarHBondContact O-CG 3.42Å; R333-Q337 PolarHBondContact O-N 3.2Å; H335-Q337 VanDerWaalsContact C-N 3.3Å; Q337-Q339 PolarHBondContact O-N 3.29Å |
| 338 | S | 52.2 | Low | 68.7 | Low | 101 Ų | 101 | 83.1 Ų | 83.1 | 71% | 0.706 | 42% | 0.421 | S | S | * | . | trans | -68 | 42.9 | -176.3 | 52.4 | 0 | 0 | 0 | 0 | 115.1 | N336 | N336-S338 VanDerWaalsContact C-N 3.33Å; N336-S338 PolarHBondContact O-N 3.18Å | ||
| 339 | Q | 58.5 | Low | 68.4 | Low | 141 Ų | 141 | 85.2 Ų | 85.2 | 66% | 0.659 | 44% | 0.438 | S | S | * | . | trans | -129 | 50 | 173.7 | -73.9 | -72.4 | -50.5 | 0 | 0 | 108.6 | Q337 H341 | Q337-Q339 PolarHBondContact O-N 3.29Å; Q339-H341 PolarHBondContact O-N 2.89Å | ||
| 340 | H | 65.2 | Low | 68.3 | Low | 73 Ų | 73 | 81.5 Ų | 81.5 | 34% | 0.338 | 41% | 0.413 | S | S | . | . | trans | -63.8 | 118.4 | 161.7 | -68.8 | 119.2 | 0 | 0 | 0 | 108.1 | H335 S342 F350 | H335-H340 WeakPolarHBondContact CA-NE2 3.43Å; H335-H340 WeakPolarHBondContact CB-NE2 3.45Å; H335-H340 AromaticContact CG-NE2 3.62Å; H335-H340 AromaticContact ND1-NE2 3.15Å; H335-H340 PolarHBondContact ND1-NE2 3.11Å; H335-H340 VanDerWaalsContact ND1-NE2 3.15Å; H335-H340 PolarHBondContact O-NE2 2.68Å; H340-S342 PolarHBondContact O-N 2.95Å; H340-S342 VanDerWaalsContact O-N 3.15Å; H340-F350 WeakPolarHBondContact CA-O 3.21Å | ||
| 341 | H | 67.6 | Low | 68 | Low | 54 Ų | 54 | 81 Ų | 81 | 25% | 0.25 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 100.7 | 174.8 | -54.3 | -72.1 | 0 | 0 | 0 | 107.5 | Q339 F350 L353 L356 | Q339-H341 PolarHBondContact O-N 2.89Å; H341-F350 PolarHBondContact N-O 3.07Å; H341-F350 WeakPolarHBondContact O-CB 3.41Å; H341-F350 PolarHBondContact O-N 2.96Å; H341-L353 HydrophobicContact CB-CD1 4.18Å; H341-L353 PolarHBondContact CD2-N 3.36Å; H341-L356 HydrophobicContact CB-CB 4.17Å; H341-L356 HydrophobicContact CB-CD2 3.65Å |
| 342 | S | 66.5 | Low | 67.6 | Low | 45 Ų | 45 | 83.4 Ų | 83.4 | 32% | 0.315 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 143.7 | 173.6 | 43.4 | 0 | 0 | 0 | 0 | 110.8 | H340 H344 R348 L356 | H340-S342 PolarHBondContact O-N 2.95Å; H340-S342 VanDerWaalsContact O-N 3.15Å; S342-H344 PolarHBondContact O-N 3.14Å; S342-R348 WeakPolarHBondContact CA-O 3.32Å; S342-L356 WeakPolarHBondContact O-CD2 3.34Å |
| 343 | C | 77.6 | Confident | 67.6 | Low | 4 Ų | 4 | 85.3 Ų | 85.3 | 3% | 0.027 | 44% | 0.439 | C | S | . | . | trans | -78.4 | 114.2 | 164 | -172.6 | 0 | 0 | 0 | 0 | 108.6 | L345 C346 N347 R348 F350 L356 | C343-L345 PolarHBondContact O-N 3.1Å; C343-L345 VanDerWaalsContact O-N 3.09Å; C343-C346 VanDerWaalsContact CB-SG 3.59Å; C343-C346 PolarHBondContact O-N 3.39Å; C343-C346 VanDerWaalsContact O-N 3.16Å; C343-N347 WeakPolarHBondContact O-CA 3.32Å; C343-N347 PolarHBondContact O-N 3.02Å; C343-R348 PolarHBondContact N-O 2.85Å; C343-F350 HydrophobicContact CB-CE2 4.33Å; C343-L356 HydrophobicContact CB-CD1 3.53Å | ||
| 344 | H | 72.4 | Confident | 67.6 | Low | 164 Ų | 164 | 83 Ų | 83 | 76% | 0.759 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -22.2 | -179.7 | -61.3 | -72.7 | 0 | 0 | 0 | 113.6 | S342 | S342-H344 PolarHBondContact O-N 3.14Š|
| 345 | L | 75.7 | Confident | 67.8 | Low | 86 Ų | 86 | 88.5 Ų | 88.5 | 45% | 0.45 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -9.5 | -178 | -56.7 | 172.7 | 0 | 0 | 0 | 114.1 | C343 H364 | C343-L345 PolarHBondContact O-N 3.1Å; C343-L345 VanDerWaalsContact O-N 3.09Å; L345-H364 WeakPolarHBondContact CB-CE1 3.5Å; L345-H364 WeakPolarHBondContact CB-ND1 3.45Å; L345-H364 HydrophobicContact CD1-CB 3.58Å |
| 346 | C | 77.3 | Confident | 68.3 | Low | 58 Ų | 58 | 88.4 Ų | 88.4 | 39% | 0.392 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -151.3 | 10.7 | 177.8 | 70.5 | 0 | 0 | 0 | 0 | 114.9 | C343 R348 H359 | C343-C346 VanDerWaalsContact CB-SG 3.59Å; C343-C346 PolarHBondContact O-N 3.39Å; C343-C346 VanDerWaalsContact O-N 3.16Å; C346-R348 PolarHBondContact O-N 3.08Å; C346-H359 PolarHBondContact SG-NE2 3.44Å |
| 347 | N | 65.5 | Low | 68.9 | Low | 131 Ų | 131 | 88.2 Ų | 88.2 | 70% | 0.701 | 45% | 0.447 | S | S | * | . | trans | 49.3 | 12.6 | -177.1 | -72.1 | -40.1 | 0 | 0 | 0 | 117.2 | C343 S349 | C343-N347 WeakPolarHBondContact O-CA 3.32Å; C343-N347 PolarHBondContact O-N 3.02Å; N347-S349 PolarHBondContact O-N 2.7Å | ||
| 348 | R | 70.3 | Confident | 69.6 | Low | 166 Ų | 166 | 85.9 Ų | 85.9 | 63% | 0.626 | 44% | 0.441 | S | S | * | . | trans | -73.1 | 126.3 | -179.4 | -158.6 | 169 | -171.2 | 127.5 | -1.3 | 110.6 | S342 C343 C346 F350 | S342-R348 WeakPolarHBondContact CA-O 3.32Å; C343-R348 PolarHBondContact N-O 2.85Å; C346-R348 PolarHBondContact O-N 3.08Å; R348-F350 HydrophobicContact CB-CE2 3.92Å; R348-F350 HydrophobicContact CB-CZ 4.18Å; R348-F350 HydrophobicContact CG-CE2 4.15Å; R348-F350 HydrophobicContact CG-CZ 3.96Å; R348-F350 VanDerWaalsContact O-CD2 3.23Å; R348-F350 WeakPolarHBondContact O-CD2 3.42Å; R348-F350 WeakPolarHBondContact O-CE2 3.37Å | ||
| 349 | S | 65.7 | Low | 70.9 | Confident | 70 Ų | 70 | 82 Ų | 82 | 49% | 0.49 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 127.5 | -172.8 | 56.7 | 0 | 0 | 0 | 0 | 113.4 | N347 | N347-S349 PolarHBondContact O-N 2.7Å |
| 350 | F | 70.1 | Confident | 71.7 | Confident | 26 Ų | 26 | 75.3 Ų | 75.3 | 11% | 0.114 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 143.6 | 179.2 | -63.1 | -85.3 | 0 | 0 | 0 | 113.3 | H340 H341 C343 R348 T352 Y355 L356 H359 | H340-F350 WeakPolarHBondContact CA-O 3.21Å; H341-F350 PolarHBondContact N-O 3.07Å; H341-F350 WeakPolarHBondContact O-CB 3.41Å; H341-F350 PolarHBondContact O-N 2.96Å; C343-F350 HydrophobicContact CB-CE2 4.33Å; R348-F350 HydrophobicContact CB-CE2 3.92Å; R348-F350 HydrophobicContact CB-CZ 4.18Å; R348-F350 HydrophobicContact CG-CE2 4.15Å; R348-F350 HydrophobicContact CG-CZ 3.96Å; R348-F350 VanDerWaalsContact O-CD2 3.23Å; R348-F350 WeakPolarHBondContact O-CD2 3.42Å; R348-F350 WeakPolarHBondContact O-CE2 3.37Å; F350-T352 VanDerWaalsContact C-N 3.32Å; F350-T352 PolarHBondContact O-N 2.83Å; F350-Y355 HydrophobicContact CD1-CD1 4.46Å; F350-L356 HydrophobicContact CB-CB 4.03Å; F350-L356 HydrophobicContact CD2-CB 4.01Å; F350-L356 HydrophobicContact CD2-CD1 3.76Å; F350-L356 HydrophobicContact CD2-CG 4.48Å; F350-L356 HydrophobicContact CE2-CD1 4.1Å; F350-L356 HydrophobicContact CG-CB 4.15Å; F350-H359 HydrophobicContact CE1-CB 3.8Å; F350-H359 AromaticContact CE1-CG 3.96Å; F350-H359 HydrophobicContact CE2-CB 4.05Å; F350-H359 AromaticContact CE2-CD2 3.26Å; F350-H359 WeakPolarHBondContact CE2-CD2 3.44Å; F350-H359 AromaticContact CE2-CG 3.66Å; F350-H359 AromaticContact CE2-NE2 3.85Å; F350-H359 HydrophobicContact CZ-CB 3.51Å; F350-H359 AromaticContact CZ-CD2 3.29Å; F350-H359 WeakPolarHBondContact CZ-CD2 3.5Å; F350-H359 AromaticContact CZ-CG 3.18Å; F350-H359 AromaticContact CZ-ND1 3.68Å; F350-H359 AromaticContact CZ-NE2 3.82Å |
| 351 | T | 66.3 | Low | 72.4 | Confident | 58 Ų | 58 | 78.1 Ų | 78.1 | 36% | 0.356 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -80.6 | -10.2 | -174.7 | 58.6 | 0 | 0 | 0 | 0 | 114 | V334 | V334-T351 VanDerWaalsContact CG1-CB 3.46Å; V334-T351 HydrophobicContact CG1-CG2 3.41Å; V334-T351 VanDerWaalsContact CG1-CG2 3.41Å |
| 352 | T | 65.9 | Low | 72.6 | Confident | 64 Ų | 64 | 83.7 Ų | 83.7 | 39% | 0.393 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -151.5 | 146.8 | 173.6 | 58.6 | 0 | 0 | 0 | 0 | 110 | F350 T354 Y355 L356 | F350-T352 VanDerWaalsContact C-N 3.32Å; F350-T352 PolarHBondContact O-N 2.83Å; T352-T354 PolarHBondContact O-N 2.98Å; T352-Y355 PolarHBondContact O-N 3.12Å; T352-L356 PolarHBondContact O-N 3.15Å |
| 353 | L | 69.1 | Low | 72.7 | Confident | 84 Ų | 84 | 87.8 Ų | 87.8 | 44% | 0.44 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -58.6 | -33 | 179.4 | -163.1 | 82.3 | 0 | 0 | 0 | 112.3 | H341 Y355 L356 R357 | H341-L353 HydrophobicContact CB-CD1 4.18Å; H341-L353 PolarHBondContact CD2-N 3.36Å; L353-Y355 VanDerWaalsContact C-N 3.35Å; L353-Y355 PolarHBondContact O-N 3Å; L353-L356 PolarHBondContact O-N 2.84Å; L353-R357 PolarHBondContact O-N 3.1Å |
| 354 | T | 73.5 | Confident | 72.3 | Confident | 100 Ų | 100 | 88.9 Ų | 88.9 | 61% | 0.613 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -61.4 | -41.4 | 175.9 | -43.1 | 0 | 0 | 0 | 0 | 111.9 | T352 R357 V358 | T352-T354 PolarHBondContact O-N 2.98Å; T354-R357 PolarHBondContact O-N 3.12Å; T354-V358 WeakPolarHBondContact O-CG2 3.29Å; T354-V358 PolarHBondContact O-N 3.45Å; T354-V358 VanDerWaalsContact O-N 3.1Å |
| 355 | Y | 71.6 | Confident | 71.7 | Confident | 156 Ų | 156 | 82.9 Ų | 82.9 | 61% | 0.612 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -71.8 | -36.6 | 177.6 | -114.6 | -82.9 | 0 | 0 | 0 | 112.2 | F350 T352 L353 H359 | F350-Y355 HydrophobicContact CD1-CD1 4.46Å; T352-Y355 PolarHBondContact O-N 3.12Å; L353-Y355 VanDerWaalsContact C-N 3.35Å; L353-Y355 PolarHBondContact O-N 3Å; Y355-H359 WeakPolarHBondContact O-CB 3.48Å; Y355-H359 PolarHBondContact O-N 3.29Å |
| 356 | L | 77.1 | Confident | 70.8 | Confident | 17 Ų | 17 | 85.8 Ų | 85.8 | 9% | 0.089 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -58.3 | -48.5 | 170.2 | 170.9 | 59.6 | 0 | 0 | 0 | 110.7 | H341 S342 C343 F350 T352 L353 V358 H359 A360 | H341-L356 HydrophobicContact CB-CB 4.17Å; H341-L356 HydrophobicContact CB-CD2 3.65Å; S342-L356 WeakPolarHBondContact O-CD2 3.34Å; C343-L356 HydrophobicContact CB-CD1 3.53Å; F350-L356 HydrophobicContact CB-CB 4.03Å; F350-L356 HydrophobicContact CD2-CB 4.01Å; F350-L356 HydrophobicContact CD2-CD1 3.76Å; F350-L356 HydrophobicContact CD2-CG 4.48Å; F350-L356 HydrophobicContact CE2-CD1 4.1Å; F350-L356 HydrophobicContact CG-CB 4.15Å; T352-L356 PolarHBondContact O-N 3.15Å; L353-L356 PolarHBondContact O-N 2.84Å; L356-V358 PolarHBondContact O-N 3.21Å; L356-H359 WeakPolarHBondContact O-CB 3.34Å; L356-H359 PolarHBondContact O-N 2.87Å; L356-H359 VanDerWaalsContact O-N 3.14Å; L356-A360 WeakPolarHBondContact O-CB 3.18Å; L356-A360 PolarHBondContact O-N 3.37Å |
| 357 | R | 76.8 | Confident | 69.7 | Low | 136 Ų | 136 | 87.8 Ų | 87.8 | 51% | 0.513 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -60.6 | -44.6 | -179 | -171.8 | 177.5 | -64.6 | 155.2 | 1.1 | 112.5 | L353 T354 H359 A360 Q361 | L353-R357 PolarHBondContact O-N 3.1Å; T354-R357 PolarHBondContact O-N 3.12Å; R357-H359 VanDerWaalsContact C-N 3.3Å; R357-H359 PolarHBondContact O-N 3.43Å; R357-A360 PolarHBondContact O-N 3Å; R357-Q361 VanDerWaalsContact O-CB 3.26Å; R357-Q361 WeakPolarHBondContact O-CB 3.21Å; R357-Q361 PolarHBondContact O-N 3.11Å |
| 358 | V | 76.8 | Confident | 68.8 | Low | 70 Ų | 70 | 86.6 Ų | 86.6 | 42% | 0.424 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -65.2 | -33.6 | 176.5 | 172.4 | 0 | 0 | 0 | 0 | 111.9 | T354 L356 K362 | T354-V358 WeakPolarHBondContact O-CG2 3.29Å; T354-V358 PolarHBondContact O-N 3.45Å; T354-V358 VanDerWaalsContact O-N 3.1Å; L356-V358 PolarHBondContact O-N 3.21Å; V358-K362 WeakPolarHBondContact O-CB 3.27Å; V358-K362 WeakPolarHBondContact O-CG 3.33Å; V358-K362 PolarHBondContact O-N 3Å |
| 359 | H | 79.9 | Confident | 67.8 | Low | 19 Ų | 19 | 86.6 Ų | 86.6 | 9% | 0.088 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -70.6 | -50.9 | 173.7 | 165.2 | 72.9 | 0 | 0 | 0 | 112 | C346 F350 Y355 L356 R357 Q361 K362 H363 | C346-H359 PolarHBondContact SG-NE2 3.44Å; F350-H359 HydrophobicContact CE1-CB 3.8Å; F350-H359 AromaticContact CE1-CG 3.96Å; F350-H359 HydrophobicContact CE2-CB 4.05Å; F350-H359 AromaticContact CE2-CD2 3.26Å; F350-H359 WeakPolarHBondContact CE2-CD2 3.44Å; F350-H359 AromaticContact CE2-CG 3.66Å; F350-H359 AromaticContact CE2-NE2 3.85Å; F350-H359 HydrophobicContact CZ-CB 3.51Å; F350-H359 AromaticContact CZ-CD2 3.29Å; F350-H359 WeakPolarHBondContact CZ-CD2 3.5Å; F350-H359 AromaticContact CZ-CG 3.18Å; F350-H359 AromaticContact CZ-ND1 3.68Å; F350-H359 AromaticContact CZ-NE2 3.82Å; Y355-H359 WeakPolarHBondContact O-CB 3.48Å; Y355-H359 PolarHBondContact O-N 3.29Å; L356-H359 WeakPolarHBondContact O-CB 3.34Å; L356-H359 PolarHBondContact O-N 2.87Å; L356-H359 VanDerWaalsContact O-N 3.14Å; R357-H359 VanDerWaalsContact C-N 3.3Å; R357-H359 PolarHBondContact O-N 3.43Å; H359-Q361 VanDerWaalsContact C-N 3.32Å; H359-Q361 PolarHBondContact O-N 3.48Å; H359-K362 PolarHBondContact O-N 3.39Å; H359-H363 AromaticContact CE1-CD2 3.41Å; H359-H363 PolarHBondContact CE1-CD2 2.92Å; H359-H363 VanDerWaalsContact CE1-CD2 3.41Å; H359-H363 AromaticContact CE1-CG 3.61Å; H359-H363 AromaticContact CE1-NE2 3.88Å; H359-H363 AromaticContact ND1-CD2 3.05Å; H359-H363 PolarHBondContact ND1-CD2 3.5Å; H359-H363 AromaticContact ND1-CG 3.74Å; H359-H363 AromaticContact ND1-NE2 3.48Å; H359-H363 PolarHBondContact ND1-NE2 2.8Å; H359-H363 PolarHBondContact O-CD2 3.41Å; H359-H363 PolarHBondContact O-N 2.93Å |
| 360 | A | 75.5 | Confident | 66.8 | Low | 0 Ų | 0 | 91.4 Ų | 91.4 | 0% | 0 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -57.9 | -44.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L356 R357 K362 H363 H364 W368 | L356-A360 WeakPolarHBondContact O-CB 3.18Å; L356-A360 PolarHBondContact O-N 3.37Å; R357-A360 PolarHBondContact O-N 3Å; A360-K362 PolarHBondContact O-N 3.04Å; A360-H363 PolarHBondContact O-N 2.83Å; A360-H364 CarbonylContact O-C 3.56Å; A360-H364 WeakPolarHBondContact O-CA 3.48Å; A360-H364 WeakPolarHBondContact O-CB 3.46Å; A360-H364 PolarHBondContact O-N 3Å; A360-W368 HydrophobicContact CB-CD2 3.86Å; A360-W368 HydrophobicContact CB-CE3 3.66Å; A360-W368 HydrophobicContact CB-CG 4.39Å; A360-W368 HydrophobicContact CB-CZ3 4.05Å |
| 361 | Q | 78.9 | Confident | 66 | Low | 133 Ų | 133 | 95 Ų | 95 | 62% | 0.621 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -62.8 | -26.4 | 175.9 | -171.4 | 176.5 | 8.6 | 0 | 0 | 113.7 | R357 H359 | R357-Q361 VanDerWaalsContact O-CB 3.26Å; R357-Q361 WeakPolarHBondContact O-CB 3.21Å; R357-Q361 PolarHBondContact O-N 3.11Å; H359-Q361 VanDerWaalsContact C-N 3.32Å; H359-Q361 PolarHBondContact O-N 3.48Å |
| 362 | K | 73.2 | Confident | 64.9 | Low | 170 Ų | 170 | 94.2 Ų | 94.2 | 74% | 0.739 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -92.7 | -27.8 | 179.5 | -77.9 | -170.4 | 172.8 | -162.3 | 0 | 114.9 | V358 H359 A360 | V358-K362 WeakPolarHBondContact O-CB 3.27Å; V358-K362 WeakPolarHBondContact O-CG 3.33Å; V358-K362 PolarHBondContact O-N 3Å; H359-K362 PolarHBondContact O-N 3.39Å; A360-K362 PolarHBondContact O-N 3.04Å |
| 363 | H | 66.9 | Low | 63.8 | Low | 132 Ų | 132 | 94.4 Ų | 94.4 | 61% | 0.611 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -107.3 | -26.1 | -176.3 | -70.9 | -96.4 | 0 | 0 | 0 | 113.7 | H359 A360 | H359-H363 AromaticContact CE1-CD2 3.41Å; H359-H363 PolarHBondContact CE1-CD2 2.92Å; H359-H363 VanDerWaalsContact CE1-CD2 3.41Å; H359-H363 AromaticContact CE1-CG 3.61Å; H359-H363 AromaticContact CE1-NE2 3.88Å; H359-H363 AromaticContact ND1-CD2 3.05Å; H359-H363 PolarHBondContact ND1-CD2 3.5Å; H359-H363 AromaticContact ND1-CG 3.74Å; H359-H363 AromaticContact ND1-NE2 3.48Å; H359-H363 PolarHBondContact ND1-NE2 2.8Å; H359-H363 PolarHBondContact O-CD2 3.41Å; H359-H363 PolarHBondContact O-N 2.93Å; A360-H363 PolarHBondContact O-N 2.83Å |
| 364 | H | 69.9 | Low | 62.8 | Low | 27 Ų | 27 | 95.5 Ų | 95.5 | 13% | 0.125 | 51% | 0.506 | C | S | . | . | S | Bend | trans | -129.3 | 33.5 | -175.6 | -55.9 | -83.4 | 0 | 0 | 0 | 110.7 | L345 A360 Q366 E367 W368 | L345-H364 WeakPolarHBondContact CB-CE1 3.5Å; L345-H364 WeakPolarHBondContact CB-ND1 3.45Å; L345-H364 HydrophobicContact CD1-CB 3.58Å; A360-H364 CarbonylContact O-C 3.56Å; A360-H364 WeakPolarHBondContact O-CA 3.48Å; A360-H364 WeakPolarHBondContact O-CB 3.46Å; A360-H364 PolarHBondContact O-N 3Å; H364-Q366 PolarHBondContact O-N 3.07Å; H364-Q366 VanDerWaalsContact O-N 3.13Å; H364-E367 IonicContact ND1-OE2 3.71Å; H364-E367 PolarHBondContact ND1-OE2 3.38Å; H364-E367 PolarHBondContact O-N 3.33Å; H364-W368 WeakPolarHBondContact O-CB 3.47Å; H364-W368 PolarHBondContact O-N 3.16Å |
| 365 | G | 60.4 | Low | 61.5 | Low | 37 Ų | 37 | 100.9 Ų | 100.9 | 38% | 0.381 | 52% | 0.515 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -18.4 | -165.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 366 | Q | 56.9 | Low | 59.9 | Low | 147 Ų | 147 | 97.5 Ų | 97.5 | 69% | 0.687 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -66 | 170.4 | -61.7 | -74.3 | 40.9 | 0 | 0 | 109.9 | H364 W368 K369 E370 | H364-Q366 PolarHBondContact O-N 3.07Å; H364-Q366 VanDerWaalsContact O-N 3.13Å; Q366-W368 VanDerWaalsContact C-N 3.26Å; Q366-W368 PolarHBondContact O-N 3.42Å; Q366-W368 VanDerWaalsContact O-N 3.15Å; Q366-K369 WeakPolarHBondContact O-CA 3.08Å; Q366-K369 WeakPolarHBondContact O-CB 3.38Å; Q366-K369 PolarHBondContact O-N 3.34Å; Q366-E370 PolarHBondContact O-N 3.13Å |
| 367 | E | 52.7 | Low | 57.8 | Low | 100 Ų | 100 | 101.2 Ų | 101.2 | 47% | 0.467 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -55.4 | -37.1 | -176.3 | -53.7 | 173.2 | 111.8 | 0 | 0 | 113.4 | H364 K369 E370 S371 | H364-E367 IonicContact ND1-OE2 3.71Å; H364-E367 PolarHBondContact ND1-OE2 3.38Å; H364-E367 PolarHBondContact O-N 3.33Å; E367-K369 VanDerWaalsContact C-N 3.28Å; E367-K369 PolarHBondContact O-N 2.92Å; E367-E370 PolarHBondContact O-N 2.65Å; E367-S371 WeakPolarHBondContact O-CB 3.18Å; E367-S371 PolarHBondContact O-N 3.18Å; E367-S371 PolarHBondContact O-OG 3.33Å |
| 368 | W | 47.8 | Very low | 55.6 | Low | 107 Ų | 107 | 105.4 Ų | 105.4 | 41% | 0.405 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -68.2 | -25.8 | 177.2 | -175.2 | -86.8 | 0 | 0 | 0 | 112.9 | A360 H364 Q366 G372 | A360-W368 HydrophobicContact CB-CD2 3.86Å; A360-W368 HydrophobicContact CB-CE3 3.66Å; A360-W368 HydrophobicContact CB-CG 4.39Å; A360-W368 HydrophobicContact CB-CZ3 4.05Å; H364-W368 WeakPolarHBondContact O-CB 3.47Å; H364-W368 PolarHBondContact O-N 3.16Å; Q366-W368 VanDerWaalsContact C-N 3.26Å; Q366-W368 PolarHBondContact O-N 3.42Å; Q366-W368 VanDerWaalsContact O-N 3.15Å; W368-G372 WeakPolarHBondContact O-CA 3.33Å; W368-G372 PolarHBondContact O-N 3.38Å; W368-G372 VanDerWaalsContact O-N 3.08Å |
| 369 | K | 49.1 | Very low | 53.5 | Low | 166 Ų | 166 | 106 Ų | 106 | 72% | 0.722 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -74.5 | -32 | 177.7 | -166.9 | -173.3 | 176.4 | -165.9 | 0 | 111.5 | Q366 E367 | Q366-K369 WeakPolarHBondContact O-CA 3.08Å; Q366-K369 WeakPolarHBondContact O-CB 3.38Å; Q366-K369 PolarHBondContact O-N 3.34Å; E367-K369 VanDerWaalsContact C-N 3.28Å; E367-K369 PolarHBondContact O-N 2.92Å |
| 370 | E | 45.3 | Very low | 51 | Low | 170 Ų | 170 | 108.9 Ų | 108.9 | 79% | 0.794 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -88.6 | -36 | -179.6 | -66.4 | 170.1 | 125.5 | 0 | 0 | 111.7 | Q366 E367 G372 | Q366-E370 PolarHBondContact O-N 3.13Å; E367-E370 PolarHBondContact O-N 2.65Å; E370-G372 VanDerWaalsContact C-N 3.27Å; E370-G372 PolarHBondContact O-N 2.89Å |
| 371 | S | 52.5 | Low | 49.3 | Very low | 103 Ų | 103 | 114.3 Ų | 114.3 | 72% | 0.72 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -76.5 | -12.1 | 171.8 | -53.7 | 0 | 0 | 0 | 0 | 113.6 | E367 G373 | E367-S371 WeakPolarHBondContact O-CB 3.18Å; E367-S371 PolarHBondContact O-N 3.18Å; E367-S371 PolarHBondContact O-OG 3.33Å; S371-G373 PolarHBondContact O-N 2.87Å |
| 372 | G | 42.7 | Very low | 46.9 | Very low | 40 Ų | 40 | 111.8 Ų | 111.8 | 41% | 0.412 | 69% | 0.693 | S | S | . | * | S | Bend | trans | -88.7 | 70.2 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | W368 E370 | W368-G372 WeakPolarHBondContact O-CA 3.33Å; W368-G372 PolarHBondContact O-N 3.38Å; W368-G372 VanDerWaalsContact O-N 3.08Å; E370-G372 VanDerWaalsContact C-N 3.27Å; E370-G372 PolarHBondContact O-N 2.89Å |
| 373 | G | 44.2 | Very low | 45.5 | Very low | 69 Ų | 69 | 108.8 Ų | 108.8 | 71% | 0.711 | 70% | 0.699 | S | S | * | * | trans | -44.1 | 135.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | S371 R375 | S371-G373 PolarHBondContact O-N 2.87Å; G373-R375 PolarHBondContact O-N 3.09Å | ||
| 374 | A | 47.1 | Very low | 44.8 | Very low | 107 Ų | 107 | 106 Ų | 106 | 88% | 0.884 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -58.5 | 98 | -159.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 375 | R | 47 | Very low | 43.8 | Very low | 212 Ų | 212 | 107.7 Ų | 107.7 | 80% | 0.8 | 73% | 0.731 | S | S | * | * | trans | -132.3 | 63.1 | 160.5 | -78.7 | -165.1 | 154 | 144.3 | -0 | 111.9 | G373 | G373-R375 PolarHBondContact O-N 3.09Š| ||
| 376 | G | 38.1 | Very low | 43.8 | Very low | 85 Ų | 85 | 109.1 Ų | 109.1 | 88% | 0.876 | 73% | 0.732 | S | S | * | * | trans | -133.4 | 28.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 377 | A | 32.1 | Very low | 44.2 | Very low | 95 Ų | 95 | 105.6 Ų | 105.6 | 79% | 0.785 | 72% | 0.718 | S | S | * | * | trans | -123.5 | 114.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 378 | F | 29.7 | Very low | 44.9 | Very low | 224 Ų | 224 | 105.8 Ų | 105.8 | 98% | 0.982 | 72% | 0.721 | S | S | * | * | trans | -135.6 | 91.6 | 176.4 | -145.3 | -80.5 | 0 | 0 | 0 | 108.6 | ||||
| 379 | G | 33.1 | Very low | 46.1 | Very low | 83 Ų | 83 | 100.7 Ų | 100.7 | 86% | 0.856 | 70% | 0.702 | S | S | * | * | trans | 166.4 | 90.4 | -172.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 380 | G | 28.2 | Very low | 47 | Very low | 79 Ų | 79 | 102.1 Ų | 102.1 | 81% | 0.814 | 71% | 0.711 | S | S | * | * | trans | 147.3 | 120.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 381 | A | 39.7 | Very low | 48.2 | Very low | 115 Ų | 115 | 99.6 Ų | 99.6 | 95% | 0.95 | 70% | 0.703 | S | S | * | * | trans | -88.3 | 136.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 382 | G | 28.1 | Very low | 49.1 | Very low | 80 Ų | 80 | 97.7 Ų | 97.7 | 83% | 0.825 | 69% | 0.689 | S | S | * | * | trans | -174.7 | 141.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 383 | A | 44.8 | Very low | 50.5 | Low | 106 Ų | 106 | 98 Ų | 98 | 88% | 0.876 | 69% | 0.692 | S | S | * | * | trans | -96.5 | 157.9 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | G385 | A383-G385 PolarHBondContact O-N 3.35Š| ||
| 384 | G | 50.7 | Low | 51.9 | Low | 73 Ų | 73 | 98 Ų | 98 | 75% | 0.753 | 68% | 0.678 | S | S | * | * | trans | 77.8 | 9.1 | 145.7 | 0 | 0 | 0 | 0 | 0 | 119.4 | V386 | G384-V386 PolarHBondContact O-N 3.18Š| ||
| 385 | G | 50.3 | Low | 52.8 | Low | 63 Ų | 63 | 99.7 Ų | 99.7 | 65% | 0.649 | 67% | 0.668 | S | S | * | * | trans | -62.6 | 100.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | A383 | A383-G385 PolarHBondContact O-N 3.35Š| ||
| 386 | V | 59.9 | Low | 53.8 | Low | 67 Ų | 67 | 90 Ų | 90 | 41% | 0.406 | 63% | 0.633 | S | S | . | * | P | Polyproline II helix | trans | -80.3 | 134.3 | 172.1 | -178.5 | 0 | 0 | 0 | 0 | 109.5 | G384 Q395 | G384-V386 PolarHBondContact O-N 3.18Å; V386-Q395 HydrophobicContact CG1-CB 3.68Å; V386-Q395 HydrophobicContact CG1-CG 3.96Å |
| 387 | L | 64.9 | Low | 55 | Low | 73 Ų | 73 | 94.1 Ų | 94.1 | 38% | 0.382 | 63% | 0.626 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.2 | 130.2 | -175.8 | -58.3 | 172.8 | 0 | 0 | 0 | 110.6 | C396 A399 L402 | L387-C396 PolarHBondContact N-O 3.25Å; L387-C396 PolarHBondContact O-N 2.85Å; L387-A399 HydrophobicContact CD1-CB 3.73Å; L387-L402 HydrophobicContact CB-CD2 3.9Å |
| 388 | L | 68.6 | Low | 56.8 | Low | 104 Ų | 104 | 92.8 Ų | 92.8 | 55% | 0.545 | 61% | 0.608 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.1 | 139.5 | -179.1 | -70.8 | 162.5 | 0 | 0 | 0 | 111.6 | G393 Q395 | L388-G393 VanDerWaalsContact CD2-O 3.24Å; L388-G393 WeakPolarHBondContact CD2-O 3.38Å; L388-Q395 HydrophobicContact CD2-CG 3.46Å; L388-Q395 VanDerWaalsContact CD2-CG 3.46Å |
| 389 | C | 72.6 | Confident | 58.6 | Low | 1 Ų | 1 | 83.2 Ų | 83.2 | 1% | 0.007 | 57% | 0.571 | C | S | . | * | P | Polyproline II helix | trans | -75.2 | 119.1 | 165.2 | -173.9 | 0 | 0 | 0 | 0 | 110.5 | L391 C392 G393 V394 L402 | C389-L391 PolarHBondContact O-N 2.89Å; C389-C392 PolarHBondContact O-N 2.84Å; C389-G393 WeakPolarHBondContact O-CA 3.27Å; C389-G393 PolarHBondContact O-N 3.06Å; C389-V394 HydrophobicContact CB-CB 4.32Å; C389-V394 PolarHBondContact N-O 3.33Å; C389-L402 HydrophobicContact CB-CD1 3.74Å |
| 390 | Q | 67.5 | Low | 60.4 | Low | 195 Ų | 195 | 84.8 Ų | 84.8 | 91% | 0.911 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | -15.5 | -178.6 | -70.8 | 178.2 | -43.6 | 0 | 0 | 113.9 | ||
| 391 | L | 69.6 | Low | 62.3 | Low | 117 Ų | 117 | 86.3 Ų | 86.3 | 61% | 0.613 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | -14 | 179.7 | -61.5 | -178.2 | 0 | 0 | 0 | 114.3 | C389 M406 H409 | C389-L391 PolarHBondContact O-N 2.89Å; L391-M406 HydrophobicContact CB-CE 4.43Å; L391-M406 HydrophobicContact CD1-CE 3.55Å; L391-M406 HydrophobicContact CG-CE 3.88Å; L391-H409 HydrophobicContact CD1-CB 3.83Å |
| 392 | C | 73.4 | Confident | 64 | Low | 63 Ų | 63 | 82.3 Ų | 82.3 | 43% | 0.426 | 51% | 0.512 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -156.9 | 6.4 | -176.2 | 62.3 | 0 | 0 | 0 | 0 | 115.7 | C389 V394 H405 H409 | C389-C392 PolarHBondContact O-N 2.84Å; C392-V394 PolarHBondContact O-N 3.34Å; C392-V394 VanDerWaalsContact SG-CG2 3.59Å; C392-H405 VanDerWaalsContact SG-CE1 3.56Å; C392-H405 PolarHBondContact SG-NE2 3.02Å; C392-H409 PolarHBondContact SG-NE2 3.18Å; C392-H409 VanDerWaalsContact SG-NE2 3.36Å |
| 393 | G | 70.4 | Confident | 66 | Low | 47 Ų | 47 | 85.7 Ų | 85.7 | 49% | 0.485 | 51% | 0.507 | S | S | . | . | trans | 73.8 | -1.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | L388 C389 Q395 | L388-G393 VanDerWaalsContact CD2-O 3.24Å; L388-G393 WeakPolarHBondContact CD2-O 3.38Å; C389-G393 WeakPolarHBondContact O-CA 3.27Å; C389-G393 PolarHBondContact O-N 3.06Å; G393-Q395 PolarHBondContact O-N 3.34Å | ||
| 394 | V | 73.6 | Confident | 67.4 | Low | 68 Ų | 68 | 83 Ų | 83 | 41% | 0.412 | 49% | 0.49 | S | S | . | . | trans | -62.7 | 129.2 | -175.5 | 172.8 | 0 | 0 | 0 | 0 | 111.9 | C389 C392 C396 H405 | C389-V394 HydrophobicContact CB-CB 4.32Å; C389-V394 PolarHBondContact N-O 3.33Å; C392-V394 PolarHBondContact O-N 3.34Å; C392-V394 VanDerWaalsContact SG-CG2 3.59Å; V394-C396 PolarHBondContact O-N 3.31Å; V394-H405 WeakPolarHBondContact CB-NE2 3.33Å | ||
| 395 | Q | 65.9 | Low | 68.5 | Low | 143 Ų | 143 | 81.4 Ų | 81.4 | 67% | 0.668 | 46% | 0.462 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 109.3 | -179.1 | -79.5 | -176 | 44.4 | 0 | 0 | 112.4 | V386 L388 G393 | V386-Q395 HydrophobicContact CG1-CB 3.68Å; V386-Q395 HydrophobicContact CG1-CG 3.96Å; L388-Q395 HydrophobicContact CD2-CG 3.46Å; L388-Q395 VanDerWaalsContact CD2-CG 3.46Å; G393-Q395 PolarHBondContact O-N 3.34Å |
| 396 | C | 68.4 | Low | 69.4 | Low | 10 Ų | 10 | 81.7 Ų | 81.7 | 7% | 0.068 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 120.2 | 177 | -71.2 | 0 | 0 | 0 | 0 | 111.2 | L387 V394 T398 Q401 L402 | L387-C396 PolarHBondContact N-O 3.25Å; L387-C396 PolarHBondContact O-N 2.85Å; V394-C396 PolarHBondContact O-N 3.31Å; C396-T398 PolarHBondContact O-N 3.01Å; C396-Q401 HydrophobicContact CB-CB 4.16Å; C396-L402 HydrophobicContact CB-CB 3.77Å |
| 397 | K | 62.8 | Low | 69.8 | Low | 171 Ų | 171 | 80.2 Ų | 80.2 | 74% | 0.743 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -71.3 | -10.9 | -178.9 | -64.5 | -178.5 | -179.8 | 179 | 0 | 114 | ||
| 398 | T | 69.7 | Low | 69.9 | Low | 66 Ų | 66 | 80.8 Ų | 80.8 | 41% | 0.405 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -143.2 | 150.2 | 176.7 | 61.1 | 0 | 0 | 0 | 0 | 111.3 | C396 T400 Q401 L402 | C396-T398 PolarHBondContact O-N 3.01Å; T398-T400 PolarHBondContact O-N 3.39Å; T398-Q401 PolarHBondContact O-N 2.85Å; T398-Q401 VanDerWaalsContact OG1-CG 3.32Å; T398-Q401 WeakPolarHBondContact OG1-CG 3.45Å; T398-Q401 PolarHBondContact OG1-N 3.09Å; T398-Q401 PolarHBondContact OG1-OE1 3Å; T398-L402 PolarHBondContact O-N 3.39Å; T398-L402 VanDerWaalsContact O-N 3.11Å |
| 399 | A | 68.2 | Low | 69.7 | Low | 23 Ų | 23 | 78.8 Ų | 78.8 | 19% | 0.19 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -61.9 | -29.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | L387 L402 Q403 | L387-A399 HydrophobicContact CD1-CB 3.73Å; A399-L402 PolarHBondContact O-N 3.13Å; A399-Q403 WeakPolarHBondContact O-CB 3.31Å; A399-Q403 PolarHBondContact O-N 3.33Å |
| 400 | T | 71.3 | Confident | 69.1 | Low | 117 Ų | 117 | 83 Ų | 83 | 72% | 0.718 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -69.2 | -37.1 | 177.2 | -34.1 | 0 | 0 | 0 | 0 | 111.8 | T398 G404 | T398-T400 PolarHBondContact O-N 3.39Å; T400-G404 PolarHBondContact O-N 2.83Å |
| 401 | Q | 68.9 | Low | 68.3 | Low | 111 Ų | 111 | 81.6 Ų | 81.6 | 52% | 0.519 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65.7 | -45.1 | 170.9 | -76.8 | 170.9 | -49.8 | 0 | 0 | 111.2 | C396 T398 Q403 G404 H405 | C396-Q401 HydrophobicContact CB-CB 4.16Å; T398-Q401 PolarHBondContact O-N 2.85Å; T398-Q401 VanDerWaalsContact OG1-CG 3.32Å; T398-Q401 WeakPolarHBondContact OG1-CG 3.45Å; T398-Q401 PolarHBondContact OG1-N 3.09Å; T398-Q401 PolarHBondContact OG1-OE1 3Å; Q401-Q403 PolarHBondContact O-N 3.48Å; Q401-G404 PolarHBondContact O-N 3.04Å; Q401-H405 VanDerWaalsContact O-CB 3.31Å; Q401-H405 WeakPolarHBondContact O-CB 3.38Å; Q401-H405 PolarHBondContact O-N 2.88Å |
| 402 | L | 73.8 | Confident | 67.4 | Low | 31 Ų | 31 | 84.4 Ų | 84.4 | 16% | 0.162 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -59.9 | -45.1 | 177.1 | 179.3 | 55.9 | 0 | 0 | 0 | 111.5 | L387 C389 C396 T398 A399 G404 H405 M406 | L387-L402 HydrophobicContact CB-CD2 3.9Å; C389-L402 HydrophobicContact CB-CD1 3.74Å; C396-L402 HydrophobicContact CB-CB 3.77Å; T398-L402 PolarHBondContact O-N 3.39Å; T398-L402 VanDerWaalsContact O-N 3.11Å; A399-L402 PolarHBondContact O-N 3.13Å; L402-G404 PolarHBondContact O-N 3.24Å; L402-H405 PolarHBondContact O-N 3.26Å; L402-M406 HydrophobicContact CD1-CG 4.07Å; L402-M406 HydrophobicContact CG-CG 4.29Å; L402-M406 WeakPolarHBondContact O-CG 3.47Å; L402-M406 PolarHBondContact O-N 3.33Å |
| 403 | Q | 71.1 | Confident | 65.5 | Low | 150 Ų | 150 | 85.1 Ų | 85.1 | 70% | 0.701 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -67.8 | -34.8 | 179.8 | -169.9 | 168.8 | -1.2 | 0 | 0 | 112.8 | A399 Q401 G407 | A399-Q403 WeakPolarHBondContact O-CB 3.31Å; A399-Q403 PolarHBondContact O-N 3.33Å; Q401-Q403 PolarHBondContact O-N 3.48Å; Q403-G407 PolarHBondContact O-N 2.77Å |
| 404 | G | 73.6 | Confident | 63.7 | Low | 51 Ų | 51 | 90 Ų | 90 | 53% | 0.526 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.7 | -40.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | T400 Q401 L402 G407 | T400-G404 PolarHBondContact O-N 2.83Å; Q401-G404 PolarHBondContact O-N 3.04Å; L402-G404 PolarHBondContact O-N 3.24Å; G404-G407 PolarHBondContact O-N 3.2Å |
| 405 | H | 73.2 | Confident | 62.1 | Low | 38 Ų | 38 | 92.6 Ų | 92.6 | 18% | 0.176 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -71.2 | -34.8 | 177.3 | 172.3 | 34.5 | 0 | 0 | 0 | 113.1 | C392 V394 Q401 L402 G407 T408 H409 | C392-H405 VanDerWaalsContact SG-CE1 3.56Å; C392-H405 PolarHBondContact SG-NE2 3.02Å; V394-H405 WeakPolarHBondContact CB-NE2 3.33Å; Q401-H405 VanDerWaalsContact O-CB 3.31Å; Q401-H405 WeakPolarHBondContact O-CB 3.38Å; Q401-H405 PolarHBondContact O-N 2.88Å; L402-H405 PolarHBondContact O-N 3.26Å; H405-G407 PolarHBondContact O-N 3.34Å; H405-T408 PolarHBondContact ND1-OG1 2.86Å; H405-T408 PolarHBondContact O-N 3.28Å; H405-T408 PolarHBondContact O-OG1 2.92Å; H405-H409 AromaticContact CE1-NE2 3.55Å; H405-H409 AromaticContact NE2-NE2 3.99Å |
| 406 | M | 70.1 | Confident | 60.6 | Low | 69 Ų | 69 | 89.7 Ų | 89.7 | 34% | 0.34 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -58.3 | -31 | 170.3 | -65.1 | -102 | 58.3 | 0 | 0 | 111.4 | L391 L402 T408 H409 | L391-M406 HydrophobicContact CB-CE 4.43Å; L391-M406 HydrophobicContact CD1-CE 3.55Å; L391-M406 HydrophobicContact CG-CE 3.88Å; L402-M406 HydrophobicContact CD1-CG 4.07Å; L402-M406 HydrophobicContact CG-CG 4.29Å; L402-M406 WeakPolarHBondContact O-CG 3.47Å; L402-M406 PolarHBondContact O-N 3.33Å; M406-T408 VanDerWaalsContact C-N 3.27Å; M406-T408 PolarHBondContact O-N 3.05Å; M406-H409 PolarHBondContact O-N 3.23Å |
| 407 | G | 68.4 | Low | 59.5 | Low | 37 Ų | 37 | 95.4 Ų | 95.4 | 38% | 0.381 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -64.5 | -20.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q403 G404 H405 | Q403-G407 PolarHBondContact O-N 2.77Å; G404-G407 PolarHBondContact O-N 3.2Å; H405-G407 PolarHBondContact O-N 3.34Å |
| 408 | T | 67.8 | Low | 57.9 | Low | 84 Ų | 84 | 94 Ų | 94 | 52% | 0.515 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -79.7 | -24.2 | 175.7 | 64.4 | 0 | 0 | 0 | 0 | 112.6 | H405 M406 | H405-T408 PolarHBondContact ND1-OG1 2.86Å; H405-T408 PolarHBondContact O-N 3.28Å; H405-T408 PolarHBondContact O-OG1 2.92Å; M406-T408 VanDerWaalsContact C-N 3.27Å; M406-T408 PolarHBondContact O-N 3.05Å |
| 409 | H | 63.9 | Low | 56.1 | Low | 62 Ų | 62 | 98.8 Ų | 98.8 | 29% | 0.287 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -73.7 | -32 | 171.6 | -68.9 | -80.9 | 0 | 0 | 0 | 112 | L391 C392 H405 M406 Q411 Q412 | L391-H409 HydrophobicContact CD1-CB 3.83Å; C392-H409 PolarHBondContact SG-NE2 3.18Å; C392-H409 VanDerWaalsContact SG-NE2 3.36Å; H405-H409 AromaticContact CE1-NE2 3.55Å; H405-H409 AromaticContact NE2-NE2 3.99Å; M406-H409 PolarHBondContact O-N 3.23Å; H409-Q411 PolarHBondContact O-N 2.92Å; H409-Q411 VanDerWaalsContact O-N 3.1Å; H409-Q412 PolarHBondContact O-N 3.49Å |
| 410 | A | 59.7 | Low | 54.3 | Low | 89 Ų | 89 | 102.9 Ų | 102.9 | 74% | 0.736 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | 2.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 411 | Q | 50.8 | Low | 52.4 | Low | 167 Ų | 167 | 102.9 Ų | 102.9 | 78% | 0.78 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.2 | 6.7 | 178.8 | -75 | -80.4 | -0.6 | 0 | 0 | 112.8 | H409 | H409-Q411 PolarHBondContact O-N 2.92Å; H409-Q411 VanDerWaalsContact O-N 3.1Å |
| 412 | Q | 49.8 | Very low | 50.5 | Low | 175 Ų | 175 | 102.5 Ų | 102.5 | 82% | 0.818 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -136.7 | 86 | 179.1 | -65.7 | -174.9 | -6.9 | 0 | 0 | 109.2 | H409 | H409-Q412 PolarHBondContact O-N 3.49Š|
| 413 | G | 33.3 | Very low | 48.4 | Very low | 78 Ų | 78 | 109.9 Ų | 109.9 | 80% | 0.804 | 66% | 0.663 | S | S | * | * | trans | -167.3 | 31.8 | -166.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 414 | D | 32.8 | Very low | 47.6 | Very low | 149 Ų | 149 | 107.9 Ų | 107.9 | 80% | 0.797 | 66% | 0.663 | S | S | * | * | trans | -135.3 | 136.9 | 164.6 | -105.8 | -58.1 | 0 | 0 | 0 | 106.7 | ||||
| 415 | P | 41.5 | Very low | 45.5 | Very low | 123 Ų | 123 | 112.4 Ų | 112.4 | 80% | 0.799 | 68% | 0.68 | S | S | * | * | -132.6 | 162.7 | 63.6 | 40.2 | -28.7 | 0 | 0 | 0 | 116.2 | |||||
| 416 | A | 34.4 | Very low | 43.4 | Very low | 82 Ų | 82 | 114 Ų | 114 | 68% | 0.678 | 71% | 0.707 | S | S | * | * | trans | -64.8 | 162.8 | 167 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 417 | P | 44.2 | Very low | 41.4 | Very low | 131 Ų | 131 | 116.8 Ų | 116.8 | 85% | 0.851 | 73% | 0.728 | S | S | * | * | -123.1 | 176.2 | 125 | 36.8 | -32.6 | 0 | 0 | 0 | 113.6 | |||||
| 418 | N | 29.1 | Very low | 39.6 | Very low | 141 Ų | 141 | 121 Ų | 121 | 75% | 0.754 | 75% | 0.747 | S | S | * | * | trans | -110.1 | 173 | -165.5 | -177.2 | 25.3 | 0 | 0 | 0 | 112 | ||||
| 419 | Q | 32.5 | Very low | 37.7 | Very low | 167 Ų | 167 | 122.1 Ų | 122.1 | 78% | 0.78 | 76% | 0.758 | S | S | * | * | trans | 86.9 | 160.5 | 164 | -52.9 | 173.5 | 106.4 | 0 | 0 | 118.2 | ||||
| 420 | T | 30.3 | Very low | 36 | Very low | 109 Ų | 109 | 123.3 Ų | 123.3 | 67% | 0.669 | 78% | 0.779 | S | S | * | * | cis | -171.9 | 123.2 | -34.3 | -81.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 421 | S | 30.6 | Very low | 34.5 | Very low | 117 Ų | 117 | 124.9 Ų | 124.9 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | 60.6 | 159.6 | 156.9 | -60.2 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 422 | A | 29.1 | Very low | 33.3 | Very low | 102 Ų | 102 | 122.8 Ų | 122.8 | 84% | 0.843 | 78% | 0.777 | S | S | * | * | trans | 83.9 | 114.2 | 155.9 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 423 | E | 29.7 | Very low | 32.3 | Very low | 186 Ų | 186 | 121 Ų | 121 | 87% | 0.869 | 78% | 0.779 | S | S | * | * | trans | -89.4 | -175.9 | 147 | -62.7 | -157.2 | 123.3 | 0 | 0 | 109.4 | ||||
| 424 | P | 55.2 | Low | 32 | Very low | 108 Ų | 108 | 123.5 Ų | 123.5 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | cis | -140.9 | -160.8 | 6.5 | 34.4 | -8.9 | 0 | 0 | 0 | 116.4 | ||||
| 425 | V | 29.8 | Very low | 31.8 | Very low | 146 Ų | 146 | 121.2 Ų | 121.2 | 89% | 0.885 | 78% | 0.78 | S | S | * | * | trans | 92.1 | 134.6 | 162.5 | -169.8 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 426 | G | 27.9 | Very low | 31.5 | Very low | 73 Ų | 73 | 120.3 Ų | 120.3 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | trans | 165.7 | 37.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 427 | T | 27.7 | Very low | 32.2 | Very low | 127 Ų | 127 | 122.2 Ų | 122.2 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | trans | -50.6 | 135.9 | -177.3 | -53.2 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 428 | T | 30.7 | Very low | 31.8 | Very low | 125 Ų | 125 | 123.1 Ų | 123.1 | 77% | 0.767 | 78% | 0.779 | S | S | * | * | trans | -178.6 | 119.5 | 132.2 | 20.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 429 | S | 28.6 | Very low | 32.8 | Very low | 108 Ų | 108 | 121.7 Ų | 121.7 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | 71.1 | 136.6 | 86.5 | -61.6 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 430 | A | 28.9 | Very low | 32.7 | Very low | 87 Ų | 87 | 120.6 Ų | 120.6 | 72% | 0.719 | 78% | 0.782 | S | S | * | * | cis | -164.5 | 167.9 | -12.5 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 431 | T | 27.7 | Very low | 32.7 | Very low | 122 Ų | 122 | 118.7 Ų | 118.7 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | 173 | 124.8 | 80.7 | -68.7 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 432 | V | 25.6 | Very low | 32.6 | Very low | 122 Ų | 122 | 120.9 Ų | 120.9 | 74% | 0.739 | 79% | 0.786 | S | S | * | * | trans | 39.9 | 128.1 | 137.2 | -168.9 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 433 | T | 27.7 | Very low | 32.7 | Very low | 138 Ų | 138 | 123.2 Ų | 123.2 | 85% | 0.847 | 78% | 0.783 | S | S | * | * | -158.5 | 160.5 | 74.3 | -46.3 | 0 | 0 | 0 | 0 | 114 | |||||
| 434 | V | 27 | Very low | 33 | Very low | 131 Ų | 131 | 120.3 Ų | 120.3 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | trans | -109.8 | 143.4 | -166.6 | 171.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 435 | A | 28.7 | Very low | 31.9 | Very low | 101 Ų | 101 | 121.8 Ų | 121.8 | 84% | 0.835 | 79% | 0.785 | S | S | * | * | trans | -152.8 | 137.5 | 147.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 436 | S | 36.3 | Very low | 32.1 | Very low | 104 Ų | 104 | 121.3 Ų | 121.3 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | -154.4 | 161.1 | 177 | -129.7 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 437 | P | 49.6 | Very low | 32.1 | Very low | 122 Ų | 122 | 123.6 Ų | 123.6 | 79% | 0.792 | 78% | 0.781 | S | S | * | * | -145.7 | 165.8 | 55.8 | 38.8 | -18.4 | 0 | 0 | 0 | 119.4 | |||||
| 438 | L | 34.9 | Very low | 32.6 | Very low | 150 Ų | 150 | 122.6 Ų | 122.6 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | trans | -25.5 | 175.5 | 146.1 | -65.2 | 165.5 | 0 | 0 | 0 | 118.3 | ||||
| 439 | P | 49.5 | Very low | 32.8 | Very low | 111 Ų | 111 | 122.1 Ų | 122.1 | 72% | 0.721 | 78% | 0.78 | S | S | * | * | cis | -120.6 | -172.5 | -2.9 | 20.1 | 6 | 0 | 0 | 0 | 111.9 | ||||
| 440 | V | 31.8 | Very low | 33.3 | Very low | 143 Ų | 143 | 125.5 Ų | 125.5 | 87% | 0.867 | 79% | 0.788 | S | S | * | * | -167.4 | 155.9 | 59.4 | 167.2 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 441 | G | 29.3 | Very low | 33.8 | Very low | 69 Ų | 69 | 124.2 Ų | 124.2 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | trans | 118.3 | 34.9 | 150.6 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 442 | L | 27.9 | Very low | 34.5 | Very low | 164 Ų | 164 | 124.3 Ų | 124.3 | 86% | 0.859 | 79% | 0.786 | S | S | * | * | trans | -53.5 | 146.3 | 146.4 | -83.8 | 167.6 | 0 | 0 | 0 | 109 | ||||
| 443 | L | 31.6 | Very low | 35.9 | Very low | 151 Ų | 151 | 124.2 Ų | 124.2 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | cis | -148.7 | 167.1 | 32.5 | -112 | 133.2 | 0 | 0 | 0 | 113.6 | ||||
| 444 | V | 37.4 | Very low | 36.9 | Very low | 124 Ų | 124 | 123.6 Ų | 123.6 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | trans | -80.8 | 142.5 | 161.3 | 172.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 445 | T | 32.5 | Very low | 37.4 | Very low | 140 Ų | 140 | 126.2 Ų | 126.2 | 86% | 0.859 | 79% | 0.789 | S | S | * | * | trans | -139.9 | 138.5 | 151.5 | -25.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 446 | D | 32 | Very low | 38.2 | Very low | 136 Ų | 136 | 130.9 Ų | 130.9 | 73% | 0.727 | 82% | 0.816 | S | S | * | * | trans | -86.7 | 162.9 | 175.5 | -151.9 | -57.8 | 0 | 0 | 0 | 111 | ||||
| 447 | C | 29.8 | Very low | 38.3 | Very low | 121 Ų | 121 | 132.3 Ų | 132.3 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | trans | 160.4 | 149.4 | 133.6 | -84.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 448 | S | 36.6 | Very low | 37.7 | Very low | 106 Ų | 106 | 132.8 Ų | 132.8 | 74% | 0.741 | 82% | 0.822 | S | S | * | * | trans | -83.7 | 167.3 | 178.5 | -64.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 449 | S | 35.2 | Very low | 37.8 | Very low | 114 Ų | 114 | 131.8 Ų | 131.8 | 80% | 0.797 | 82% | 0.824 | S | S | * | * | trans | 101.2 | 118.9 | 158.3 | -42.3 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 450 | I | 39 | Very low | 37.2 | Very low | 179 Ų | 179 | 133.1 Ų | 133.1 | 92% | 0.918 | 83% | 0.83 | S | S | * | * | trans | -161.6 | 149.7 | 136.7 | -100 | 151.9 | 0 | 0 | 0 | 107.9 | ||||
| 451 | G | 39.3 | Very low | 37.5 | Very low | 60 Ų | 60 | 132.4 Ų | 132.4 | 62% | 0.619 | 83% | 0.828 | S | S | * | * | trans | -84.8 | -171.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 452 | P | 43.7 | Very low | 38 | Very low | 125 Ų | 125 | 136.7 Ų | 136.7 | 81% | 0.812 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 154.4 | -172.7 | 33.8 | -36.3 | 0 | 0 | 0 | 114 | ||
| 453 | P | 54.3 | Low | 38.8 | Very low | 119 Ų | 119 | 134.7 Ų | 134.7 | 77% | 0.773 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 154 | 165.4 | 32.9 | -34.3 | 0 | 0 | 0 | 111.8 | ||
| 454 | P | 48.4 | Very low | 39.3 | Very low | 126 Ų | 126 | 133.5 Ų | 133.5 | 82% | 0.818 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 172.7 | -172.9 | 35.6 | -37.8 | 0 | 0 | 0 | 114.5 | ||
| 455 | H | 38.1 | Very low | 39.5 | Very low | 185 Ų | 185 | 134.3 Ų | 134.3 | 86% | 0.856 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 143.3 | 171.5 | -67.4 | -101.1 | 0 | 0 | 0 | 112.6 | ||
| 456 | S | 44.8 | Very low | 40.1 | Very low | 200 Ų | 200 | 133.7 Ų | 133.7 | 100% | 1.399 | 84% | 0.843 | S | S | * | * | trans | -156.3 | 0 | 148.8 | -71.6 | 0 | 0 | 0 | 0 | 108.8 |
Retrieved 456 of 456 residues in 179.4 ms
(Link to these results)