| 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 | 39.5 | Very low | 40.5 | Very low | 243 Ų | 243 | 155.7 Ų | 155.7 | 100% | 1.197 | 86% | 0.857 | S | S | * | * | 0 | 141.6 | 0 | -74 | -164.5 | 147.3 | 0 | 0 | 108.3 | |||||
| 2 | P | 53.5 | Low | 40 | Very low | 127 Ų | 127 | 156 Ų | 156 | 83% | 0.825 | 85% | 0.854 | S | S | * | * | cis | -95.9 | 158.3 | -17.6 | 34.2 | -21.3 | 0 | 0 | 0 | 110.4 | ||||
| 3 | A | 42.9 | Very low | 39.4 | Very low | 93 Ų | 93 | 162.3 Ų | 162.3 | 77% | 0.769 | 86% | 0.857 | S | S | * | * | cis | 77.1 | 93.2 | 39 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 4 | V | 40.8 | Very low | 38.8 | Very low | 136 Ų | 136 | 155.3 Ų | 155.3 | 82% | 0.824 | 84% | 0.843 | S | S | * | * | trans | -153 | 113.3 | 151.1 | -177.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 5 | H | 40.4 | Very low | 38.4 | Very low | 180 Ų | 180 | 158.5 Ų | 158.5 | 83% | 0.833 | 85% | 0.85 | S | S | * | * | trans | 31.2 | 127.1 | 140.1 | -75.9 | -69.7 | 0 | 0 | 0 | 125.1 | ||||
| 6 | Q | 35.4 | Very low | 38.1 | Very low | 178 Ų | 178 | 163.4 Ų | 163.4 | 83% | 0.832 | 85% | 0.852 | S | S | * | * | trans | -74.5 | 159.5 | 137.1 | -76.5 | -172.2 | -32 | 0 | 0 | 111 | ||||
| 7 | P | 49.2 | Very low | 37.8 | Very low | 128 Ų | 128 | 159.8 Ų | 159.8 | 83% | 0.831 | 85% | 0.852 | S | S | * | * | -142.2 | 173 | 110 | 36.3 | -20.6 | 0 | 0 | 0 | 115.8 | |||||
| 8 | S | 35.8 | Very low | 37.5 | Very low | 107 Ų | 107 | 156.8 Ų | 156.8 | 75% | 0.748 | 85% | 0.846 | S | S | * | * | trans | -92.2 | 154.9 | -166.3 | 50.9 | 0 | 0 | 0 | 0 | 117 | ||||
| 9 | R | 39.2 | Very low | 37.3 | Very low | 247 Ų | 247 | 159.6 Ų | 159.6 | 93% | 0.932 | 85% | 0.849 | S | S | * | * | trans | 20.6 | 131.6 | 144 | -72.5 | -176.6 | 172.8 | -172 | -1.4 | 122.1 | ||||
| 10 | S | 32.3 | Very low | 37 | Very low | 115 Ų | 115 | 156.4 Ų | 156.4 | 80% | 0.804 | 84% | 0.84 | S | S | * | * | trans | -167.1 | 123.2 | 131.6 | 55.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 11 | L | 36.1 | Very low | 36.7 | Very low | 159 Ų | 159 | 160.6 Ų | 160.6 | 83% | 0.832 | 84% | 0.844 | S | S | * | * | 81 | 96 | 50.9 | -143 | 163.8 | 0 | 0 | 0 | 113.8 | |||||
| 12 | I | 35.3 | Very low | 36.3 | Very low | 159 Ų | 159 | 153 Ų | 153 | 82% | 0.815 | 82% | 0.82 | S | S | * | * | trans | -147.9 | 106.3 | 157.2 | -60 | -172.8 | 0 | 0 | 0 | 107.3 | ||||
| 13 | R | 32.3 | Very low | 35.1 | Very low | 238 Ų | 238 | 155.9 Ų | 155.9 | 90% | 0.898 | 82% | 0.823 | S | S | * | * | 47.7 | 124.5 | 109.5 | -90.1 | 177.1 | 169.4 | -178.6 | -2.8 | 113.4 | |||||
| 14 | G | 30.3 | Very low | 34.6 | Very low | 64 Ų | 64 | 158.5 Ų | 158.5 | 66% | 0.66 | 83% | 0.829 | S | S | * | * | cis | 127 | 126.7 | 25.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 15 | H | 33.7 | Very low | 34.2 | Very low | 204 Ų | 204 | 161.6 Ų | 161.6 | 94% | 0.944 | 83% | 0.832 | S | S | * | * | trans | -178.2 | 132.2 | 133.3 | -96.8 | -59.2 | 0 | 0 | 0 | 112.6 | ||||
| 16 | R | 32.8 | Very low | 33.8 | Very low | 236 Ų | 236 | 157.8 Ų | 157.8 | 89% | 0.891 | 83% | 0.832 | S | S | * | * | trans | -91 | 136.1 | 174.6 | -178.5 | -172.2 | -158.5 | -168.9 | 6.1 | 107.8 | ||||
| 17 | A | 33.6 | Very low | 33.5 | Very low | 103 Ų | 103 | 153.3 Ų | 153.3 | 85% | 0.851 | 83% | 0.833 | S | S | * | * | trans | -150.3 | 116.2 | 153.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 18 | S | 32.6 | Very low | 32.7 | Very low | 105 Ų | 105 | 151.9 Ų | 151.9 | 73% | 0.734 | 83% | 0.826 | S | S | * | * | trans | -64.4 | 151.2 | 165.3 | 167.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 19 | K | 33.8 | Very low | 32.5 | Very low | 210 Ų | 210 | 153.2 Ų | 153.2 | 91% | 0.913 | 84% | 0.835 | S | S | * | * | trans | -167.7 | 117.2 | 134.1 | -101.7 | 162.6 | -169.7 | -172.2 | 0 | 110.5 | ||||
| 20 | S | 30.6 | Very low | 32.2 | Very low | 96 Ų | 96 | 149.4 Ų | 149.4 | 67% | 0.671 | 83% | 0.825 | S | S | * | * | trans | -82.4 | 155.3 | 158.1 | 70 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 21 | W | 30.1 | Very low | 32.1 | Very low | 244 Ų | 244 | 151.7 Ų | 151.7 | 92% | 0.924 | 83% | 0.828 | S | S | * | * | trans | -173.2 | 142.8 | 132.5 | -108.3 | 33.1 | 0 | 0 | 0 | 113.1 | ||||
| 22 | A | 31.2 | Very low | 31.8 | Very low | 83 Ų | 83 | 149.9 Ų | 149.9 | 69% | 0.686 | 82% | 0.818 | S | S | * | * | trans | 48.9 | 115 | 156.3 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 23 | Q | 29.2 | Very low | 31.5 | Very low | 188 Ų | 188 | 147.9 Ų | 147.9 | 88% | 0.879 | 81% | 0.812 | S | S | * | * | cis | 64 | 90.4 | 49.1 | -140.6 | -178.6 | 18.9 | 0 | 0 | 113.2 | ||||
| 24 | T | 32.4 | Very low | 31.3 | Very low | 148 Ų | 148 | 141.8 Ų | 141.8 | 91% | 0.908 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -101.6 | 125.9 | 162 | 23 | 0 | 0 | 0 | 0 | 110 | ||
| 25 | K | 32.4 | Very low | 31.2 | Very low | 201 Ų | 201 | 146 Ų | 146 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 141.6 | -175.6 | -78.4 | 176.4 | 172 | 175.8 | 0 | 112.1 | ||
| 26 | A | 32 | Very low | 30.9 | Very low | 101 Ų | 101 | 144.4 Ų | 144.4 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 136.2 | 153.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 27 | G | 29.6 | Very low | 31.5 | Very low | 83 Ų | 83 | 137.7 Ų | 137.7 | 86% | 0.856 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 134.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 28 | S | 30.6 | Very low | 31.3 | Very low | 99 Ų | 99 | 139 Ų | 139 | 69% | 0.692 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -97.2 | 145 | 179.8 | 168.7 | 0 | 0 | 0 | 0 | 110.1 | ||
| 29 | S | 32.5 | Very low | 31.1 | Very low | 134 Ų | 134 | 141 Ų | 141 | 94% | 0.937 | 78% | 0.778 | S | S | * | * | trans | -133.1 | 120.4 | 148.2 | -62.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 30 | K | 33.4 | Very low | 31 | Very low | 167 Ų | 167 | 137.3 Ų | 137.3 | 73% | 0.726 | 77% | 0.767 | S | S | * | * | trans | -116.4 | 145.7 | -173.2 | -155.2 | -174.4 | -164.7 | -177.1 | 0 | 107.2 | I32 | K30-I32 HydrophobicContact CG-CG1 4.32Š| ||
| 31 | L | 29 | Very low | 31 | Very low | 164 Ų | 164 | 139.2 Ų | 139.2 | 86% | 0.859 | 77% | 0.774 | S | S | * | * | trans | -175 | 92.3 | 150.4 | -95 | 160.1 | 0 | 0 | 0 | 105 | ||||
| 32 | I | 30.2 | Very low | 30.9 | Very low | 120 Ų | 120 | 132.3 Ų | 132.3 | 62% | 0.615 | 76% | 0.763 | S | S | * | * | 53.8 | 118.9 | 87.3 | -44.5 | 174 | 0 | 0 | 0 | 110.5 | K30 | K30-I32 HydrophobicContact CG-CG1 4.32Š| |||
| 33 | V | 30 | Very low | 30.8 | Very low | 117 Ų | 117 | 134.7 Ų | 134.7 | 71% | 0.709 | 77% | 0.769 | S | S | * | * | -176.7 | 113.2 | 81.9 | 166.6 | 0 | 0 | 0 | 0 | 106 | |||||
| 34 | T | 27.2 | Very low | 30.6 | Very low | 111 Ų | 111 | 134 Ų | 134 | 68% | 0.681 | 77% | 0.768 | S | S | * | * | 43.5 | 138.5 | 103.8 | 52.7 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 35 | N | 29.1 | Very low | 30.5 | Very low | 152 Ų | 152 | 131.3 Ų | 131.3 | 81% | 0.813 | 76% | 0.756 | S | S | * | * | cis | -163.7 | 158.9 | 26.3 | -107.3 | -14.6 | 0 | 0 | 0 | 109 | ||||
| 36 | Q | 27.5 | Very low | 30.2 | Very low | 170 Ų | 170 | 127 Ų | 127 | 79% | 0.794 | 75% | 0.746 | S | S | * | * | trans | -67.2 | -163.6 | 163.5 | -55.7 | -158.1 | -27.6 | 0 | 0 | 111.7 | ||||
| 37 | P | 43.7 | Very low | 30.2 | Very low | 95 Ų | 95 | 130 Ų | 130 | 62% | 0.617 | 74% | 0.743 | S | S | * | * | cis | -143.4 | 170.5 | -11.2 | 12.3 | 16.2 | 0 | 0 | 0 | 118.2 | ||||
| 38 | I | 30.4 | Very low | 30.3 | Very low | 130 Ų | 130 | 133.1 Ų | 133.1 | 67% | 0.667 | 74% | 0.74 | S | S | * | * | trans | 49.7 | 130.8 | 138.9 | -32.4 | 144.8 | 0 | 0 | 0 | 119.2 | ||||
| 39 | H | 29 | Very low | 30.3 | Very low | 147 Ų | 147 | 132.5 Ų | 132.5 | 68% | 0.681 | 74% | 0.74 | S | S | * | * | 177.2 | 139.6 | 76.2 | -100 | -77.6 | 0 | 0 | 0 | 112.9 | |||||
| 40 | I | 31.1 | Very low | 30.1 | Very low | 133 Ų | 133 | 131.3 Ų | 131.3 | 68% | 0.682 | 73% | 0.732 | S | S | * | * | trans | 50.2 | 129.7 | 132.7 | -55.6 | 175.9 | 0 | 0 | 0 | 119.3 | ||||
| 41 | V | 29.8 | Very low | 30 | Very low | 137 Ų | 137 | 129 Ų | 129 | 83% | 0.83 | 73% | 0.732 | S | S | * | * | -178.4 | 135.4 | 113.5 | 159.6 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 42 | S | 29.4 | Very low | 30.2 | Very low | 99 Ų | 99 | 129.5 Ų | 129.5 | 69% | 0.692 | 73% | 0.73 | S | S | * | * | trans | -78.1 | 155.9 | 175.7 | -50.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 43 | T | 27.8 | Very low | 31 | Very low | 132 Ų | 132 | 128.7 Ų | 128.7 | 81% | 0.81 | 73% | 0.732 | S | S | * | * | trans | 177.1 | 118.9 | 138.7 | 29.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 44 | M | 25.6 | Very low | 31.3 | Very low | 174 Ų | 174 | 130.2 Ų | 130.2 | 86% | 0.857 | 74% | 0.742 | S | S | * | * | 49 | 128.9 | 84.5 | -65.5 | -74.7 | 158.4 | 0 | 0 | 111.5 | |||||
| 45 | S | 30.1 | Very low | 32.2 | Very low | 92 Ų | 92 | 130.8 Ų | 130.8 | 64% | 0.643 | 75% | 0.75 | S | S | * | * | cis | 178.4 | 153.2 | 14.8 | 43.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 46 | T | 26.5 | Very low | 32.6 | Very low | 110 Ų | 110 | 126.9 Ų | 126.9 | 68% | 0.675 | 75% | 0.746 | S | S | * | * | trans | 67.7 | 125 | 134.6 | 51.6 | 0 | 0 | 0 | 0 | 125.7 | ||||
| 47 | H | 32.6 | Very low | 33.4 | Very low | 164 Ų | 164 | 123.7 Ų | 123.7 | 76% | 0.759 | 74% | 0.743 | S | S | * | * | 82.9 | 117 | 127 | -75.6 | -59.9 | 0 | 0 | 0 | 122.7 | |||||
| 48 | N | 30.8 | Very low | 33.7 | Very low | 149 Ų | 149 | 127.6 Ų | 127.6 | 80% | 0.797 | 75% | 0.75 | S | S | * | * | 174.9 | 115 | 108.1 | -85.8 | -18.9 | 0 | 0 | 0 | 110.3 | |||||
| 49 | A | 30.6 | Very low | 34.9 | Very low | 85 Ų | 85 | 128.8 Ų | 128.8 | 70% | 0.702 | 75% | 0.753 | S | S | * | * | 68.6 | 99.9 | 94.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 50 | S | 28.3 | Very low | 35.9 | Very low | 110 Ų | 110 | 129.1 Ų | 129.1 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | 72.6 | 127.1 | 113.7 | 80.7 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 51 | V | 31.4 | Very low | 36.9 | Very low | 118 Ų | 118 | 129.4 Ų | 129.4 | 72% | 0.715 | 76% | 0.762 | S | S | * | * | -175.8 | 132.3 | 54.7 | 159.4 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 52 | H | 34.2 | Very low | 38.1 | Very low | 175 Ų | 175 | 125.2 Ų | 125.2 | 81% | 0.81 | 74% | 0.735 | S | S | * | * | trans | 33.1 | 171.1 | 146.5 | -71.2 | -62.7 | 0 | 0 | 0 | 124.3 | ||||
| 53 | P | 45.8 | Very low | 39.2 | Very low | 103 Ų | 103 | 127.4 Ų | 127.4 | 67% | 0.669 | 74% | 0.738 | S | S | * | * | cis | -136.6 | 145.8 | -32.9 | 32.4 | -14.8 | 0 | 0 | 0 | 112.9 | ||||
| 54 | T | 35.9 | Very low | 40.7 | Very low | 148 Ų | 148 | 129.4 Ų | 129.4 | 91% | 0.908 | 74% | 0.738 | S | S | * | * | trans | -157.1 | 138.4 | 154 | 36.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 55 | S | 47.2 | Very low | 42.2 | Very low | 123 Ų | 123 | 125.6 Ų | 125.6 | 86% | 0.86 | 72% | 0.721 | S | S | * | * | trans | -62.2 | 135.4 | 178.3 | 47.1 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 56 | G | 38 | Very low | 43.5 | Very low | 71 Ų | 71 | 127.5 Ų | 127.5 | 73% | 0.732 | 73% | 0.731 | S | S | * | * | trans | 174.3 | 80.8 | 164.6 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 57 | S | 43.6 | Very low | 45.2 | Very low | 103 Ų | 103 | 126.3 Ų | 126.3 | 72% | 0.72 | 72% | 0.72 | S | S | * | * | 63.9 | 88.7 | 68.4 | -168 | 0 | 0 | 0 | 0 | 113.4 | E59 | S57-E59 PolarHBondContact O-N 3.06Š| |||
| 58 | F | 50.4 | Low | 47.1 | Very low | 177 Ų | 177 | 121.6 Ų | 121.6 | 78% | 0.776 | 70% | 0.704 | S | S | * | * | S | Bend | trans | 52.2 | -26.2 | 147.3 | -121.7 | -95.1 | 0 | 0 | 0 | 121.5 | ||
| 59 | E | 54.6 | Low | 48.9 | Very low | 155 Ų | 155 | 121.1 Ų | 121.1 | 72% | 0.724 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -67.7 | -37.1 | -178.4 | -75 | -86.4 | 139.1 | 0 | 0 | 112 | S57 L61 L62 | S57-E59 PolarHBondContact O-N 3.06Å; E59-L61 PolarHBondContact O-N 3.39Å; E59-L62 PolarHBondContact O-N 3.42Å; E59-L62 VanDerWaalsContact O-N 3.11Å |
| 60 | D | 50.6 | Low | 51.2 | Low | 153 Ų | 153 | 126.3 Ų | 126.3 | 82% | 0.818 | 70% | 0.698 | S | S | * | * | G | 310 helix | trans | -65.7 | -12 | -178.2 | -116.5 | 11.6 | 0 | 0 | 0 | 114 | ||
| 61 | L | 51.7 | Low | 53.4 | Low | 140 Ų | 140 | 122 Ų | 122 | 73% | 0.733 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -97.4 | -9.8 | -179.6 | -146.5 | 128.8 | 0 | 0 | 0 | 112.9 | E59 | E59-L61 PolarHBondContact O-N 3.39Š|
| 62 | L | 54.5 | Low | 55.5 | Low | 49 Ų | 49 | 117.1 Ų | 117.1 | 26% | 0.257 | 64% | 0.639 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.1 | -15.5 | -178.2 | -104.5 | 87 | 0 | 0 | 0 | 114.4 | E59 H64 I72 | E59-L62 PolarHBondContact O-N 3.42Å; E59-L62 VanDerWaalsContact O-N 3.11Å; L62-H64 VanDerWaalsContact C-N 3.3Å; L62-H64 PolarHBondContact O-N 2.93Å; L62-I72 HydrophobicContact CD2-CG2 4.33Å |
| 63 | D | 54.2 | Low | 57.8 | Low | 144 Ų | 144 | 115.9 Ų | 115.9 | 77% | 0.77 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | 1.1 | -175.1 | -88.3 | -10.8 | 0 | 0 | 0 | 115.1 | ||
| 64 | H | 59.3 | Low | 59.5 | Low | 175 Ų | 175 | 113.9 Ų | 113.9 | 81% | 0.81 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.2 | 5.5 | -179.3 | -89.2 | -46 | 0 | 0 | 0 | 115.6 | L62 | L62-H64 VanDerWaalsContact C-N 3.3Å; L62-H64 PolarHBondContact O-N 2.93Å |
| 65 | I | 57.2 | Low | 61.9 | Low | 94 Ų | 94 | 111.8 Ų | 111.8 | 48% | 0.482 | 60% | 0.602 | S | S | . | * | S | Bend | trans | -118.3 | 119.8 | -177.2 | -53 | 178.2 | 0 | 0 | 0 | 109.6 | L67 | I65-L67 HydrophobicContact CG2-CB 4.29Å; I65-L67 HydrophobicContact CG2-CD1 3.89Å; I65-L67 HydrophobicContact CG2-CG 4.16Å; I65-L67 PolarHBondContact O-N 3.47Å |
| 66 | P | 55.5 | Low | 63.7 | Low | 132 Ų | 132 | 112.5 Ų | 112.5 | 86% | 0.857 | 59% | 0.59 | S | S | * | * | trans | -80.5 | 54.6 | -174.4 | 35.3 | -36.7 | 0 | 0 | 0 | 111.8 | ||||
| 67 | L | 62.6 | Low | 66.1 | Low | 84 Ų | 84 | 111.3 Ų | 111.3 | 44% | 0.44 | 58% | 0.579 | S | S | . | * | S | Bend | trans | -125.8 | 139 | 177.3 | -72.8 | 168.9 | 0 | 0 | 0 | 109.1 | I65 A71 I72 I75 | I65-L67 HydrophobicContact CG2-CB 4.29Å; I65-L67 HydrophobicContact CG2-CD1 3.89Å; I65-L67 HydrophobicContact CG2-CG 4.16Å; I65-L67 PolarHBondContact O-N 3.47Å; L67-A71 HydrophobicContact CB-CB 4.5Å; L67-I72 HydrophobicContact CB-CG1 4.16Å; L67-I75 HydrophobicContact CD1-CD1 4.28Å |
| 68 | P | 73.5 | Confident | 68.3 | Low | 66 Ų | 66 | 111.5 Ų | 111.5 | 43% | 0.429 | 57% | 0.571 | S | S | . | * | trans | -63.2 | 143.2 | 177.5 | 29.6 | -35.8 | 0 | 0 | 0 | 109.9 | W70 A71 | P68-W70 VanDerWaalsContact CB-NE1 3.32Å; P68-W70 HydrophobicContact CG-CD2 4.49Å; P68-W70 HydrophobicContact CG-CZ2 3.97Å; P68-W70 PolarHBondContact O-N 2.81Å; P68-A71 HydrophobicContact CG-CB 4.19Å; P68-A71 WeakPolarHBondContact O-CB 3.26Å; P68-A71 PolarHBondContact O-N 3.04Å | ||
| 69 | Q | 68.5 | Low | 70.2 | Confident | 138 Ų | 138 | 104.5 Ų | 104.5 | 65% | 0.645 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -52.4 | -36 | -167.5 | -69 | 176.9 | -21.2 | 0 | 0 | 113.8 | A71 I72 Y73 | Q69-A71 VanDerWaalsContact C-N 3.3Å; Q69-A71 PolarHBondContact O-N 3.49Å; Q69-I72 PolarHBondContact O-N 3.04Å; Q69-Y73 HydrophobicContact CB-CE2 4.27Å; Q69-Y73 WeakPolarHBondContact O-CD2 3.37Å; Q69-Y73 PolarHBondContact O-N 2.63Å |
| 70 | W | 79.3 | Confident | 71.9 | Confident | 195 Ų | 195 | 99 Ų | 99 | 74% | 0.739 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62.3 | -31.9 | 176.4 | 59.2 | -87.9 | 0 | 0 | 0 | 113.9 | P68 A74 | P68-W70 VanDerWaalsContact CB-NE1 3.32Å; P68-W70 HydrophobicContact CG-CD2 4.49Å; P68-W70 HydrophobicContact CG-CZ2 3.97Å; P68-W70 PolarHBondContact O-N 2.81Å; W70-A74 WeakPolarHBondContact O-CB 3.39Å; W70-A74 PolarHBondContact O-N 3.3Å |
| 71 | A | 73.9 | Confident | 73.8 | Confident | 20 Ų | 20 | 96 Ų | 96 | 17% | 0.165 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -72 | -33.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | L67 P68 Q69 A74 I75 | L67-A71 HydrophobicContact CB-CB 4.5Å; P68-A71 HydrophobicContact CG-CB 4.19Å; P68-A71 WeakPolarHBondContact O-CB 3.26Å; P68-A71 PolarHBondContact O-N 3.04Å; Q69-A71 VanDerWaalsContact C-N 3.3Å; Q69-A71 PolarHBondContact O-N 3.49Å; A71-A74 PolarHBondContact O-N 3.19Å; A71-I75 WeakPolarHBondContact O-CD1 3.4Å; A71-I75 VanDerWaalsContact O-CG1 3.26Å; A71-I75 WeakPolarHBondContact O-CG1 3.49Å; A71-I75 PolarHBondContact O-N 2.84Å |
| 72 | I | 75.9 | Confident | 75.6 | Confident | 14 Ų | 14 | 93.8 Ų | 93.8 | 7% | 0.072 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -66.2 | -47.6 | 175.6 | -62 | 175.3 | 0 | 0 | 0 | 109.6 | L62 L67 Q69 A74 I75 F76 | L62-I72 HydrophobicContact CD2-CG2 4.33Å; L67-I72 HydrophobicContact CB-CG1 4.16Å; Q69-I72 PolarHBondContact O-N 3.04Å; I72-A74 VanDerWaalsContact C-N 3.31Å; I72-A74 PolarHBondContact O-N 3.39Å; I72-I75 PolarHBondContact O-N 2.8Å; I72-F76 HydrophobicContact CG2-CD2 3.69Å; I72-F76 HydrophobicContact CG2-CE2 3.47Å; I72-F76 VanDerWaalsContact CG2-CE2 3.47Å; I72-F76 WeakPolarHBondContact O-CD2 3.41Å; I72-F76 PolarHBondContact O-N 2.83Å |
| 73 | Y | 81 | Confident | 77.2 | Confident | 149 Ų | 149 | 96.7 Ų | 96.7 | 58% | 0.584 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.5 | -37 | 175.1 | -66.8 | -63.4 | 0 | 0 | 0 | 112.7 | Q69 F76 G77 | Q69-Y73 HydrophobicContact CB-CE2 4.27Å; Q69-Y73 WeakPolarHBondContact O-CD2 3.37Å; Q69-Y73 PolarHBondContact O-N 2.63Å; Y73-F76 PolarHBondContact O-N 3.26Å; Y73-G77 PolarHBondContact O-N 3.01Å |
| 74 | A | 83.3 | Confident | 78.9 | Confident | 61 Ų | 61 | 94.8 Ų | 94.8 | 50% | 0.504 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.9 | -40.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | W70 A71 I72 G77 L78 | W70-A74 WeakPolarHBondContact O-CB 3.39Å; W70-A74 PolarHBondContact O-N 3.3Å; A71-A74 PolarHBondContact O-N 3.19Å; I72-A74 VanDerWaalsContact C-N 3.31Å; I72-A74 PolarHBondContact O-N 3.39Å; A74-G77 PolarHBondContact O-N 3.27Å; A74-L78 WeakPolarHBondContact O-CB 3.46Å; A74-L78 PolarHBondContact O-N 2.8Å |
| 75 | I | 85.1 | Confident | 80.4 | Confident | 104 Ų | 104 | 90.9 Ų | 90.9 | 53% | 0.533 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.7 | -43.4 | 177 | -68.6 | 163.9 | 0 | 0 | 0 | 110.9 | L67 A71 I72 L78 G79 | L67-I75 HydrophobicContact CD1-CD1 4.28Å; A71-I75 WeakPolarHBondContact O-CD1 3.4Å; A71-I75 VanDerWaalsContact O-CG1 3.26Å; A71-I75 WeakPolarHBondContact O-CG1 3.49Å; A71-I75 PolarHBondContact O-N 2.84Å; I72-I75 PolarHBondContact O-N 2.8Å; I75-L78 PolarHBondContact O-N 3.24Å; I75-G79 PolarHBondContact O-N 3.08Å |
| 76 | F | 84.6 | Confident | 81.8 | Confident | 138 Ų | 138 | 89.5 Ų | 89.5 | 61% | 0.605 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.6 | -39.4 | 174.8 | -78.4 | -66.5 | 0 | 0 | 0 | 112.2 | I72 Y73 G79 G80 | I72-F76 HydrophobicContact CG2-CD2 3.69Å; I72-F76 HydrophobicContact CG2-CE2 3.47Å; I72-F76 VanDerWaalsContact CG2-CE2 3.47Å; I72-F76 WeakPolarHBondContact O-CD2 3.41Å; I72-F76 PolarHBondContact O-N 2.83Å; Y73-F76 PolarHBondContact O-N 3.26Å; F76-G79 PolarHBondContact O-N 2.73Å; F76-G80 PolarHBondContact O-N 2.86Å |
| 77 | G | 89.3 | Confident | 83.2 | Confident | 47 Ų | 47 | 86.4 Ų | 86.4 | 49% | 0.485 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.3 | -44.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y73 A74 G80 L81 | Y73-G77 PolarHBondContact O-N 3.01Å; A74-G77 PolarHBondContact O-N 3.27Å; G77-G80 PolarHBondContact O-N 3.07Å; G77-L81 WeakPolarHBondContact O-CB 3.35Å; G77-L81 PolarHBondContact O-N 3.5Å |
| 78 | L | 89.3 | Confident | 84.4 | Confident | 106 Ų | 106 | 86.7 Ų | 86.7 | 56% | 0.555 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -68.2 | -40.6 | 177.7 | -169 | 64.7 | 0 | 0 | 0 | 111.8 | A74 I75 L81 I82 | A74-L78 WeakPolarHBondContact O-CB 3.46Å; A74-L78 PolarHBondContact O-N 2.8Å; I75-L78 PolarHBondContact O-N 3.24Å; L78-L81 PolarHBondContact O-N 2.91Å; L78-I82 HydrophobicContact CG-CD1 4.25Å; L78-I82 VanDerWaalsContact O-CG1 3.28Å; L78-I82 WeakPolarHBondContact O-CG1 3.03Å; L78-I82 PolarHBondContact O-N 3.41Å |
| 79 | G | 89.7 | Confident | 84.8 | Confident | 30 Ų | 30 | 87.4 Ų | 87.4 | 31% | 0.309 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.5 | -44.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | I75 F76 L81 I82 I83 | I75-G79 PolarHBondContact O-N 3.08Å; F76-G79 PolarHBondContact O-N 2.73Å; G79-L81 PolarHBondContact O-N 3.44Å; G79-I82 PolarHBondContact O-N 2.71Å; G79-I83 VanDerWaalsContact O-CG1 3.28Å; G79-I83 WeakPolarHBondContact O-CG1 3.47Å; G79-I83 PolarHBondContact O-N 3.01Å |
| 80 | G | 90.1 | Very high | 85.5 | Confident | 39 Ų | 39 | 85.9 Ų | 85.9 | 40% | 0.402 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.5 | -42.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | F76 G77 I83 L84 | F76-G80 PolarHBondContact O-N 2.86Å; G77-G80 PolarHBondContact O-N 3.07Å; G80-I83 PolarHBondContact O-N 2.92Å; G80-L84 WeakPolarHBondContact O-CB 3.35Å; G80-L84 PolarHBondContact O-N 3.19Å |
| 81 | L | 90.9 | Very high | 85.3 | Confident | 92 Ų | 92 | 80.1 Ų | 80.1 | 48% | 0.482 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -64.6 | -41.1 | 177.1 | -174.3 | 65.9 | 0 | 0 | 0 | 112.3 | G77 L78 G79 L84 L85 | G77-L81 WeakPolarHBondContact O-CB 3.35Å; G77-L81 PolarHBondContact O-N 3.5Å; L78-L81 PolarHBondContact O-N 2.91Å; G79-L81 PolarHBondContact O-N 3.44Å; L81-L84 PolarHBondContact O-N 2.93Å; L81-L85 HydrophobicContact CG-CD1 4.33Å; L81-L85 WeakPolarHBondContact O-CB 3.39Å; L81-L85 WeakPolarHBondContact O-CG 3.46Å; L81-L85 PolarHBondContact O-N 2.98Å |
| 82 | I | 89.8 | Confident | 85.5 | Confident | 92 Ų | 92 | 84.2 Ų | 84.2 | 47% | 0.472 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.1 | -41.8 | 176.6 | -69.2 | 166.5 | 0 | 0 | 0 | 110.7 | L78 G79 L85 C86 | L78-I82 HydrophobicContact CG-CD1 4.25Å; L78-I82 VanDerWaalsContact O-CG1 3.28Å; L78-I82 WeakPolarHBondContact O-CG1 3.03Å; L78-I82 PolarHBondContact O-N 3.41Å; G79-I82 PolarHBondContact O-N 2.71Å; I82-L85 PolarHBondContact O-N 2.91Å; I82-C86 WeakPolarHBondContact O-CB 3.28Å; I82-C86 PolarHBondContact O-N 3.5Å; I82-C86 PolarHBondContact O-SG 3.12Å |
| 83 | I | 89 | Confident | 85.5 | Confident | 110 Ų | 110 | 90.5 Ų | 90.5 | 56% | 0.564 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.8 | -43.3 | 176 | -68.2 | 166.2 | 0 | 0 | 0 | 110.3 | G79 G80 L85 C86 C87 | G79-I83 VanDerWaalsContact O-CG1 3.28Å; G79-I83 WeakPolarHBondContact O-CG1 3.47Å; G79-I83 PolarHBondContact O-N 3.01Å; G80-I83 PolarHBondContact O-N 2.92Å; I83-L85 PolarHBondContact O-N 2.81Å; I83-C86 PolarHBondContact O-N 3.04Å; I83-C87 WeakPolarHBondContact O-CB 3.39Å; I83-C87 PolarHBondContact O-N 3.05Å; I83-C87 PolarHBondContact O-SG 3.5Å |
| 84 | L | 90.3 | Very high | 84.8 | Confident | 104 Ų | 104 | 86.9 Ų | 86.9 | 55% | 0.545 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.1 | -45.3 | 176.5 | -165.9 | 93.8 | 0 | 0 | 0 | 111.8 | G80 L81 C87 L88 | G80-L84 WeakPolarHBondContact O-CB 3.35Å; G80-L84 PolarHBondContact O-N 3.19Å; L81-L84 PolarHBondContact O-N 2.93Å; L84-C87 PolarHBondContact O-N 2.95Å; L84-L88 HydrophobicContact CD2-CD1 4.31Å; L84-L88 HydrophobicContact CG-CD1 4.34Å; L84-L88 WeakPolarHBondContact O-CB 3.4Å; L84-L88 WeakPolarHBondContact O-CG 3.44Å; L84-L88 PolarHBondContact O-N 3.07Å |
| 85 | L | 90.3 | Very high | 83.9 | Confident | 93 Ų | 93 | 88 Ų | 88 | 49% | 0.487 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.3 | -39.5 | 176.6 | -72.6 | 170.8 | 0 | 0 | 0 | 112.1 | L81 I82 I83 L88 C89 | L81-L85 HydrophobicContact CG-CD1 4.33Å; L81-L85 WeakPolarHBondContact O-CB 3.39Å; L81-L85 WeakPolarHBondContact O-CG 3.46Å; L81-L85 PolarHBondContact O-N 2.98Å; I82-L85 PolarHBondContact O-N 2.91Å; I83-L85 PolarHBondContact O-N 2.81Å; L85-L88 PolarHBondContact O-N 3.21Å; L85-C89 WeakPolarHBondContact O-CB 3.01Å; L85-C89 PolarHBondContact O-N 2.79Å; L85-C89 PolarHBondContact O-SG 2.97Å |
| 86 | C | 86.3 | Confident | 82.8 | Confident | 66 Ų | 66 | 86.8 Ų | 86.8 | 45% | 0.446 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64 | -43.9 | 174.3 | -71.1 | 0 | 0 | 0 | 0 | 111.6 | I82 I83 C89 I90 | I82-C86 WeakPolarHBondContact O-CB 3.28Å; I82-C86 PolarHBondContact O-N 3.5Å; I82-C86 PolarHBondContact O-SG 3.12Å; I83-C86 PolarHBondContact O-N 3.04Å; C86-C89 PolarHBondContact O-N 2.88Å; C86-I90 VanDerWaalsContact O-CG1 3.27Å; C86-I90 WeakPolarHBondContact O-CG1 3.17Å; C86-I90 PolarHBondContact O-N 3.05Å |
| 87 | C | 85.1 | Confident | 81.3 | Confident | 66 Ų | 66 | 87.2 Ų | 87.2 | 45% | 0.446 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.9 | -45.1 | 175.4 | -72.9 | 0 | 0 | 0 | 0 | 111.4 | I83 L84 C89 I90 C91 | I83-C87 WeakPolarHBondContact O-CB 3.39Å; I83-C87 PolarHBondContact O-N 3.05Å; I83-C87 PolarHBondContact O-SG 3.5Å; L84-C87 PolarHBondContact O-N 2.95Å; C87-C89 PolarHBondContact O-N 2.82Å; C87-I90 PolarHBondContact O-N 2.66Å; C87-C91 WeakPolarHBondContact O-CB 3.19Å; C87-C91 PolarHBondContact O-N 2.87Å; C87-C91 PolarHBondContact O-SG 2.86Å |
| 88 | L | 88.3 | Confident | 79.3 | Confident | 90 Ų | 90 | 94.6 Ų | 94.6 | 47% | 0.471 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.7 | -43.2 | 174.1 | -79.7 | 162.4 | 0 | 0 | 0 | 111.9 | L84 L85 I90 C91 I92 | L84-L88 HydrophobicContact CD2-CD1 4.31Å; L84-L88 HydrophobicContact CG-CD1 4.34Å; L84-L88 WeakPolarHBondContact O-CB 3.4Å; L84-L88 WeakPolarHBondContact O-CG 3.44Å; L84-L88 PolarHBondContact O-N 3.07Å; L85-L88 PolarHBondContact O-N 3.21Å; L88-I90 PolarHBondContact O-N 2.87Å; L88-C91 PolarHBondContact O-N 2.81Å; L88-I92 VanDerWaalsContact O-CG1 3.25Å; L88-I92 WeakPolarHBondContact O-CG1 3.18Å; L88-I92 PolarHBondContact O-N 3.41Å |
| 89 | C | 80.4 | Confident | 77.3 | Confident | 82 Ų | 82 | 97.2 Ų | 97.2 | 55% | 0.554 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.2 | -39.8 | 176.9 | -70.2 | 0 | 0 | 0 | 0 | 112.6 | L85 C86 C87 K93 | L85-C89 WeakPolarHBondContact O-CB 3.01Å; L85-C89 PolarHBondContact O-N 2.79Å; L85-C89 PolarHBondContact O-SG 2.97Å; C86-C89 PolarHBondContact O-N 2.88Å; C87-C89 PolarHBondContact O-N 2.82Å; C89-K93 WeakPolarHBondContact O-CB 3.39Å; C89-K93 PolarHBondContact O-N 3.07Å |
| 90 | I | 83 | Confident | 75.3 | Confident | 105 Ų | 105 | 104 Ų | 104 | 54% | 0.538 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -67.4 | -43.8 | 175.5 | -67.3 | 165.1 | 0 | 0 | 0 | 110.1 | C86 C87 L88 I92 K93 C94 | C86-I90 VanDerWaalsContact O-CG1 3.27Å; C86-I90 WeakPolarHBondContact O-CG1 3.17Å; C86-I90 PolarHBondContact O-N 3.05Å; C87-I90 PolarHBondContact O-N 2.66Å; L88-I90 PolarHBondContact O-N 2.87Å; I90-I92 PolarHBondContact O-N 3.36Å; I90-K93 PolarHBondContact O-N 3.24Å; I90-C94 VanDerWaalsContact O-CB 3.32Å; I90-C94 WeakPolarHBondContact O-CB 3.26Å; I90-C94 PolarHBondContact O-N 2.8Å; I90-C94 PolarHBondContact O-SG 2.93Å |
| 91 | C | 75.9 | Confident | 73.2 | Confident | 75 Ų | 75 | 111.1 Ų | 111.1 | 51% | 0.507 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -59.4 | -45.7 | 176.2 | -72.6 | 0 | 0 | 0 | 0 | 111.6 | C87 L88 K93 C94 C95 | C87-C91 WeakPolarHBondContact O-CB 3.19Å; C87-C91 PolarHBondContact O-N 2.87Å; C87-C91 PolarHBondContact O-SG 2.86Å; L88-C91 PolarHBondContact O-N 2.81Å; C91-K93 PolarHBondContact O-N 3.39Å; C91-C94 PolarHBondContact O-N 2.85Å; C91-C95 WeakPolarHBondContact O-CB 3.39Å; C91-C95 PolarHBondContact O-N 3.49Å; C91-C95 PolarHBondContact O-SG 3.45Å |
| 92 | I | 78.8 | Confident | 71.1 | Confident | 105 Ų | 105 | 113.2 Ų | 113.2 | 54% | 0.538 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -61.8 | -46.1 | 175.5 | -67.2 | 164.6 | 0 | 0 | 0 | 110.5 | L88 I90 C94 C95 C96 | L88-I92 VanDerWaalsContact O-CG1 3.25Å; L88-I92 WeakPolarHBondContact O-CG1 3.18Å; L88-I92 PolarHBondContact O-N 3.41Å; I90-I92 PolarHBondContact O-N 3.36Å; I92-C94 VanDerWaalsContact C-N 3.31Å; I92-C94 PolarHBondContact O-N 2.72Å; I92-C95 PolarHBondContact O-N 3.43Å; I92-C96 WeakPolarHBondContact O-CB 3.25Å; I92-C96 PolarHBondContact O-N 2.82Å; I92-C96 PolarHBondContact O-SG 2.87Å |
| 93 | K | 74.7 | Confident | 69.2 | Low | 146 Ų | 146 | 116.2 Ų | 116.2 | 64% | 0.635 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -63.7 | -35.6 | 178.8 | -165.1 | 169.9 | -173.3 | 161.4 | 0 | 112.6 | C89 I90 C91 K97 | C89-K93 WeakPolarHBondContact O-CB 3.39Å; C89-K93 PolarHBondContact O-N 3.07Å; I90-K93 PolarHBondContact O-N 3.24Å; C91-K93 PolarHBondContact O-N 3.39Å; K93-K97 WeakPolarHBondContact O-CB 3.47Å; K93-K97 WeakPolarHBondContact O-CG 3.18Å; K93-K97 PolarHBondContact O-N 3.2Å; K93-K97 VanDerWaalsContact O-N 3.08Å |
| 94 | C | 67.7 | Low | 67.2 | Low | 74 Ų | 74 | 117.6 Ų | 117.6 | 50% | 0.5 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -72.7 | -42.3 | 175.5 | -73.5 | 0 | 0 | 0 | 0 | 112.1 | I90 C91 I92 K97 R98 | I90-C94 VanDerWaalsContact O-CB 3.32Å; I90-C94 WeakPolarHBondContact O-CB 3.26Å; I90-C94 PolarHBondContact O-N 2.8Å; I90-C94 PolarHBondContact O-SG 2.93Å; C91-C94 PolarHBondContact O-N 2.85Å; I92-C94 VanDerWaalsContact C-N 3.31Å; I92-C94 PolarHBondContact O-N 2.72Å; C94-K97 PolarHBondContact O-N 3.02Å; C94-R98 PolarHBondContact O-N 2.86Å |
| 95 | C | 63.6 | Low | 65.3 | Low | 84 Ų | 84 | 117.1 Ų | 117.1 | 57% | 0.568 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -65.2 | -41.2 | 175.4 | -71.9 | 0 | 0 | 0 | 0 | 112.2 | C91 I92 R98 K99 | C91-C95 WeakPolarHBondContact O-CB 3.39Å; C91-C95 PolarHBondContact O-N 3.49Å; C91-C95 PolarHBondContact O-SG 3.45Å; I92-C95 PolarHBondContact O-N 3.43Å; C95-R98 PolarHBondContact O-N 2.76Å; C95-K99 PolarHBondContact O-N 3.09Å; C95-K99 VanDerWaalsContact O-N 3.1Å |
| 96 | C | 61.7 | Low | 63.4 | Low | 79 Ų | 79 | 119.1 Ų | 119.1 | 53% | 0.534 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -66.6 | -36.9 | 174.5 | -67.7 | 0 | 0 | 0 | 0 | 112.3 | I92 K100 | I92-C96 WeakPolarHBondContact O-CB 3.25Å; I92-C96 PolarHBondContact O-N 2.82Å; I92-C96 PolarHBondContact O-SG 2.87Å; C96-K100 WeakPolarHBondContact O-CB 3.45Å; C96-K100 PolarHBondContact O-N 3.42Å; C96-K100 VanDerWaalsContact O-N 3.09Å |
| 97 | K | 54.1 | Low | 61.6 | Low | 146 Ų | 146 | 122.6 Ų | 122.6 | 64% | 0.635 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -66.1 | -37.2 | 173 | -85.2 | -174.9 | 173.6 | -175 | 0 | 112.5 | K93 C94 K100 R101 | K93-K97 WeakPolarHBondContact O-CB 3.47Å; K93-K97 WeakPolarHBondContact O-CG 3.18Å; K93-K97 PolarHBondContact O-N 3.2Å; K93-K97 VanDerWaalsContact O-N 3.08Å; C94-K97 PolarHBondContact O-N 3.02Å; K97-K100 PolarHBondContact O-N 2.87Å; K97-R101 PolarHBondContact O-N 2.84Å; K97-R101 VanDerWaalsContact O-N 3.11Å |
| 98 | R | 46.6 | Very low | 60.1 | Low | 202 Ų | 202 | 124.5 Ų | 124.5 | 76% | 0.762 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -68.3 | -41.3 | 179.1 | -149.9 | 172.3 | -176.9 | 171.8 | -0.3 | 111.7 | C94 C95 K100 R101 Q102 | C94-R98 PolarHBondContact O-N 2.86Å; C95-R98 PolarHBondContact O-N 2.76Å; R98-K100 PolarHBondContact O-N 2.82Å; R98-R101 PolarHBondContact O-N 2.84Å; R98-Q102 PolarHBondContact O-N 3.1Å; R98-Q102 VanDerWaalsContact O-N 3.15Å |
| 99 | K | 46.7 | Very low | 58 | Low | 162 Ų | 162 | 126.7 Ų | 126.7 | 70% | 0.704 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -64.8 | -35.4 | 171.4 | -84 | -172.2 | 174.6 | -178.6 | 0 | 113.2 | C95 R101 K103 | C95-K99 PolarHBondContact O-N 3.09Å; C95-K99 VanDerWaalsContact O-N 3.1Å; K99-R101 VanDerWaalsContact C-N 3.31Å; K99-R101 PolarHBondContact O-N 2.83Å; K99-K103 PolarHBondContact O-N 2.77Å; K99-K103 VanDerWaalsContact O-N 3.15Å |
| 100 | K | 47.7 | Very low | 56.4 | Low | 171 Ų | 171 | 129.9 Ų | 129.9 | 74% | 0.743 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -70.1 | -26.9 | 176.9 | -147.1 | 173 | -172.2 | 174.7 | 0 | 112.7 | C96 K97 R98 K104 | C96-K100 WeakPolarHBondContact O-CB 3.45Å; C96-K100 PolarHBondContact O-N 3.42Å; C96-K100 VanDerWaalsContact O-N 3.09Å; K97-K100 PolarHBondContact O-N 2.87Å; R98-K100 PolarHBondContact O-N 2.82Å; K100-K104 PolarHBondContact O-N 3.12Å |
| 101 | R | 46.6 | Very low | 54.4 | Low | 189 Ų | 189 | 133.5 Ų | 133.5 | 71% | 0.713 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -75.7 | -46.7 | 174.5 | -133 | 173.8 | 178.4 | 173.6 | -2.4 | 111.5 | K97 R98 K99 K103 K104 D105 | K97-R101 PolarHBondContact O-N 2.84Å; K97-R101 VanDerWaalsContact O-N 3.11Å; R98-R101 PolarHBondContact O-N 2.84Å; K99-R101 VanDerWaalsContact C-N 3.31Å; K99-R101 PolarHBondContact O-N 2.83Å; R101-K103 VanDerWaalsContact C-N 3.3Å; R101-K103 PolarHBondContact O-N 3.22Å; R101-K104 WeakPolarHBondContact O-CB 3.31Å; R101-K104 PolarHBondContact O-N 2.81Å; R101-D105 PolarHBondContact O-N 2.88Å |
| 102 | Q | 47 | Very low | 52.5 | Low | 136 Ų | 136 | 132.8 Ų | 132.8 | 64% | 0.636 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -57.3 | -39.4 | 174.2 | -90.6 | -179.5 | -23.3 | 0 | 0 | 113.2 | R98 K104 D105 Q106 | R98-Q102 PolarHBondContact O-N 3.1Å; R98-Q102 VanDerWaalsContact O-N 3.15Å; Q102-K104 VanDerWaalsContact C-N 3.31Å; Q102-K104 PolarHBondContact O-N 3.04Å; Q102-D105 PolarHBondContact O-N 2.84Å; Q102-Q106 WeakPolarHBondContact O-CB 3.47Å; Q102-Q106 PolarHBondContact O-N 2.84Å |
| 103 | K | 49.1 | Very low | 50.6 | Low | 155 Ų | 155 | 135.6 Ų | 135.6 | 67% | 0.674 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -69.6 | -27.8 | 178.2 | -147.2 | 175.9 | -172.3 | -179.4 | 0 | 113.1 | K99 R101 Q107 | K99-K103 PolarHBondContact O-N 2.77Å; K99-K103 VanDerWaalsContact O-N 3.15Å; R101-K103 VanDerWaalsContact C-N 3.3Å; R101-K103 PolarHBondContact O-N 3.22Å; K103-Q107 WeakPolarHBondContact O-CB 3.46Å; K103-Q107 PolarHBondContact O-N 3.3Å |
| 104 | K | 46.7 | Very low | 48.7 | Very low | 139 Ų | 139 | 136.7 Ų | 136.7 | 60% | 0.604 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -75.9 | -40.2 | 175.9 | -160.5 | 178.6 | -178 | -175.8 | 0 | 110.9 | K100 R101 Q102 Q107 I108 | K100-K104 PolarHBondContact O-N 3.12Å; R101-K104 WeakPolarHBondContact O-CB 3.31Å; R101-K104 PolarHBondContact O-N 2.81Å; Q102-K104 VanDerWaalsContact C-N 3.31Å; Q102-K104 PolarHBondContact O-N 3.04Å; K104-Q107 PolarHBondContact O-N 2.78Å; K104-I108 HydrophobicContact CG-CD1 4.27Å; K104-I108 WeakPolarHBondContact O-CD1 3.33Å; K104-I108 VanDerWaalsContact O-CG1 3.23Å; K104-I108 WeakPolarHBondContact O-CG1 3.12Å; K104-I108 PolarHBondContact O-N 3.02Å; K104-I108 VanDerWaalsContact O-N 3.09Å |
| 105 | D | 51.1 | Low | 47.1 | Very low | 95 Ų | 95 | 136.2 Ų | 136.2 | 51% | 0.508 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -71.2 | -36.8 | 178.9 | -60.4 | -23.2 | 0 | 0 | 0 | 111.5 | R101 Q102 Q107 I108 L109 | R101-D105 PolarHBondContact O-N 2.88Å; Q102-D105 PolarHBondContact O-N 2.84Å; D105-Q107 VanDerWaalsContact C-N 3.33Å; D105-Q107 PolarHBondContact O-N 3.43Å; D105-I108 PolarHBondContact O-N 3.38Å; D105-L109 WeakPolarHBondContact O-CB 3.23Å; D105-L109 PolarHBondContact O-N 3.46Å |
| 106 | Q | 49.8 | Very low | 45.6 | Very low | 134 Ų | 134 | 141.9 Ų | 141.9 | 63% | 0.626 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -68.2 | -30.9 | 174.9 | -157.1 | 175.1 | 11.7 | 0 | 0 | 112.6 | Q102 L110 | Q102-Q106 WeakPolarHBondContact O-CB 3.47Å; Q102-Q106 PolarHBondContact O-N 2.84Å; Q106-L110 PolarHBondContact O-N 3.41Å |
| 107 | Q | 48.8 | Very low | 44.1 | Very low | 139 Ų | 139 | 144.4 Ų | 144.4 | 65% | 0.65 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -76.7 | -25.9 | 174.3 | -168.4 | 170.6 | 27.6 | 0 | 0 | 113 | K103 K104 D105 | K103-Q107 WeakPolarHBondContact O-CB 3.46Å; K103-Q107 PolarHBondContact O-N 3.3Å; K104-Q107 PolarHBondContact O-N 2.78Å; D105-Q107 VanDerWaalsContact C-N 3.33Å; D105-Q107 PolarHBondContact O-N 3.43Å |
| 108 | I | 53.1 | Low | 42.9 | Very low | 106 Ų | 106 | 141.3 Ų | 141.3 | 54% | 0.544 | 71% | 0.708 | S | S | . | * | H | α-helix | trans | -78.2 | -38.3 | 173.5 | -66.6 | 162.9 | 0 | 0 | 0 | 110.2 | K104 D105 K111 | K104-I108 HydrophobicContact CG-CD1 4.27Å; K104-I108 WeakPolarHBondContact O-CD1 3.33Å; K104-I108 VanDerWaalsContact O-CG1 3.23Å; K104-I108 WeakPolarHBondContact O-CG1 3.12Å; K104-I108 PolarHBondContact O-N 3.02Å; K104-I108 VanDerWaalsContact O-N 3.09Å; D105-I108 PolarHBondContact O-N 3.38Å; I108-K111 PolarHBondContact O-N 3.32Å |
| 109 | L | 45.8 | Very low | 42.1 | Very low | 136 Ų | 136 | 138 Ų | 138 | 71% | 0.712 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -68.9 | -37.5 | 179.6 | -162.7 | 78.1 | 0 | 0 | 0 | 112.9 | D105 K111 G112 | D105-L109 WeakPolarHBondContact O-CB 3.23Å; D105-L109 PolarHBondContact O-N 3.46Å; L109-K111 PolarHBondContact O-N 2.82Å; L109-G112 PolarHBondContact O-N 3.28Å |
| 110 | L | 46.2 | Very low | 41.3 | Very low | 149 Ų | 149 | 134.3 Ų | 134.3 | 78% | 0.78 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | -12.7 | 178.8 | -128 | 82.6 | 0 | 0 | 0 | 114 | Q106 | Q106-L110 PolarHBondContact O-N 3.41Š|
| 111 | K | 40.3 | Very low | 40.5 | Very low | 182 Ų | 182 | 134.5 Ų | 134.5 | 79% | 0.791 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | -4.2 | 175.9 | -84.4 | -171 | 170.2 | -167.7 | 0 | 113.6 | I108 L109 | I108-K111 PolarHBondContact O-N 3.32Å; L109-K111 PolarHBondContact O-N 2.82Å |
| 112 | G | 37.6 | Very low | 40 | Very low | 60 Ų | 60 | 132 Ų | 132 | 62% | 0.619 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -97.3 | 5.6 | -172.8 | 0 | 0 | 0 | 0 | 0 | 116 | L109 | L109-G112 PolarHBondContact O-N 3.28Š|
| 113 | L | 38.7 | Very low | 39.2 | Very low | 164 Ų | 164 | 134.3 Ų | 134.3 | 86% | 0.859 | 73% | 0.734 | S | S | * | * | trans | -129 | 73.6 | -178.7 | -72.9 | 167.6 | 0 | 0 | 0 | 110.4 | ||||
| 114 | D | 33.8 | Very low | 38.5 | Very low | 168 Ų | 168 | 132.1 Ų | 132.1 | 90% | 0.898 | 74% | 0.736 | S | S | * | * | trans | -148.7 | 118.3 | 141.5 | -151.4 | 2.9 | 0 | 0 | 0 | 108.1 | ||||
| 115 | G | 34.5 | Very low | 37.8 | Very low | 65 Ų | 65 | 133.8 Ų | 133.8 | 67% | 0.67 | 75% | 0.751 | S | S | * | * | trans | -150.4 | 125 | -174.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 116 | K | 31.5 | Very low | 37.1 | Very low | 203 Ų | 203 | 137.7 Ų | 137.7 | 88% | 0.883 | 77% | 0.768 | S | S | * | * | trans | -147.4 | 93.9 | 149.6 | -97.5 | 177.5 | -175.7 | 177.3 | 0 | 110.1 | ||||
| 117 | T | 31.2 | Very low | 36.5 | Very low | 131 Ų | 131 | 139.6 Ų | 139.6 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | 50.4 | 122.7 | 122.8 | -40 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 118 | A | 28.4 | Very low | 36 | Very low | 82 Ų | 82 | 141 Ų | 141 | 68% | 0.678 | 79% | 0.79 | S | S | * | * | trans | 66.7 | 140.9 | 142.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 119 | T | 28.9 | Very low | 35.5 | Very low | 132 Ų | 132 | 141.4 Ų | 141.4 | 81% | 0.81 | 80% | 0.796 | S | S | * | * | cis | -167.7 | 146.6 | 16 | -5.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 120 | A | 31 | Very low | 35.3 | Very low | 84 Ų | 84 | 140.9 Ų | 140.9 | 69% | 0.694 | 79% | 0.794 | S | S | * | * | trans | 52 | 114.8 | 146.6 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 121 | L | 30.4 | Very low | 35 | Very low | 176 Ų | 176 | 144.8 Ų | 144.8 | 92% | 0.921 | 80% | 0.8 | S | S | * | * | 170.5 | 147.3 | 98.6 | -83.4 | 175.5 | 0 | 0 | 0 | 111 | |||||
| 122 | V | 36.4 | Very low | 35.1 | Very low | 137 Ų | 137 | 138.9 Ų | 138.9 | 83% | 0.83 | 79% | 0.792 | S | S | * | * | trans | -67.7 | 132.5 | -171 | 172.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 123 | Q | 29.4 | Very low | 35.6 | Very low | 183 Ų | 183 | 140.4 Ų | 140.4 | 86% | 0.855 | 79% | 0.793 | S | S | * | * | trans | -169.4 | 157.2 | 147.1 | -105.5 | 170.2 | 55.7 | 0 | 0 | 111.7 | ||||
| 124 | P | 35.6 | Very low | 36 | Very low | 110 Ų | 110 | 138.7 Ų | 138.7 | 71% | 0.714 | 79% | 0.789 | S | S | * | * | trans | -82.5 | 151.8 | -153.5 | 33.7 | -35.1 | 0 | 0 | 0 | 114.4 | M126 | P124-M126 PolarHBondContact O-N 3.29Š| ||
| 125 | D | 31.2 | Very low | 37.2 | Very low | 174 Ų | 174 | 140.2 Ų | 140.2 | 93% | 0.93 | 79% | 0.787 | S | S | * | * | trans | -48.8 | 102.7 | 179.1 | -63.5 | -40.4 | 0 | 0 | 0 | 113 | ||||
| 126 | M | 36.8 | Very low | 39.1 | Very low | 176 Ų | 176 | 143.3 Ų | 143.3 | 87% | 0.867 | 78% | 0.784 | S | S | * | * | trans | -98.4 | 121.1 | 159.5 | -78.3 | -148.8 | -178.8 | 0 | 0 | 109.4 | P124 | P124-M126 PolarHBondContact O-N 3.29Š| ||
| 127 | E | 38.2 | Very low | 41.8 | Very low | 174 Ų | 174 | 139.1 Ų | 139.1 | 81% | 0.813 | 76% | 0.764 | S | S | * | * | trans | 26.4 | 99.2 | 150.2 | -64.7 | -179.9 | 168.8 | 0 | 0 | 116.5 | V129 | E127-V129 VanDerWaalsContact C-N 3.26Å; E127-V129 PolarHBondContact O-N 2.68Å | ||
| 128 | D | 37.5 | Very low | 44.8 | Very low | 170 Ų | 170 | 134.2 Ų | 134.2 | 91% | 0.909 | 73% | 0.731 | S | S | * | * | trans | -66.6 | 88.4 | 164.9 | -148.8 | 7.7 | 0 | 0 | 0 | 108.3 | D130 | D128-D130 PolarHBondContact O-N 2.76Å; D128-D130 VanDerWaalsContact O-N 3.12Å | ||
| 129 | V | 42 | Very low | 47.9 | Very low | 113 Ų | 113 | 130.3 Ų | 130.3 | 69% | 0.685 | 70% | 0.698 | S | S | * | * | trans | -67.3 | 102.6 | 169.3 | -179.7 | 0 | 0 | 0 | 0 | 106.9 | E127 Y131 | E127-V129 VanDerWaalsContact C-N 3.26Å; E127-V129 PolarHBondContact O-N 2.68Å; V129-Y131 PolarHBondContact O-N 2.95Å | ||
| 130 | D | 42.9 | Very low | 51.2 | Low | 125 Ų | 125 | 127.4 Ų | 127.4 | 67% | 0.668 | 67% | 0.674 | S | S | * | * | trans | -55.8 | 89.1 | 179.3 | -175.9 | 27.2 | 0 | 0 | 0 | 111.3 | D128 G132 | D128-D130 PolarHBondContact O-N 2.76Å; D128-D130 VanDerWaalsContact O-N 3.12Å; D130-G132 PolarHBondContact O-N 3.48Å | ||
| 131 | Y | 39.5 | Very low | 54.4 | Low | 231 Ų | 231 | 123.4 Ų | 123.4 | 91% | 0.906 | 64% | 0.641 | S | S | * | * | trans | -75 | 90.7 | 173 | -145.3 | -91.9 | 0 | 0 | 0 | 108.7 | V129 | V129-Y131 PolarHBondContact O-N 2.95Š| ||
| 132 | G | 42 | Very low | 57.6 | Low | 59 Ų | 59 | 115.9 Ų | 115.9 | 61% | 0.608 | 60% | 0.602 | S | S | * | * | trans | 77.6 | 70.8 | 160.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | D130 V134 | D130-G132 PolarHBondContact O-N 3.48Å; G132-V134 PolarHBondContact O-N 2.89Å | ||
| 133 | S | 47.8 | Very low | 60.5 | Low | 92 Ų | 92 | 109.4 Ų | 109.4 | 64% | 0.643 | 56% | 0.563 | S | S | * | * | trans | -55.7 | 102.3 | 159.5 | -164.4 | 0 | 0 | 0 | 0 | 109.7 | K135 | S133-K135 PolarHBondContact O-N 2.81Š| ||
| 134 | V | 48.2 | Very low | 63.7 | Low | 128 Ų | 128 | 101 Ų | 101 | 78% | 0.776 | 52% | 0.524 | S | S | * | . | trans | -55.1 | 104.6 | 171.6 | -177.9 | 0 | 0 | 0 | 0 | 107 | G132 Q136 | G132-V134 PolarHBondContact O-N 2.89Å; V134-Q136 PolarHBondContact O-N 2.97Å | ||
| 135 | K | 57.5 | Low | 66.6 | Low | 200 Ų | 200 | 95.8 Ų | 95.8 | 87% | 0.87 | 49% | 0.49 | S | S | * | . | trans | -53.6 | 106.7 | 175 | -83.5 | -176.8 | 178.4 | 177.4 | 0 | 106.9 | S133 Y137 | S133-K135 PolarHBondContact O-N 2.81Å; K135-Y137 PolarHBondContact O-N 2.9Å | ||
| 136 | Q | 75 | Confident | 69.6 | Low | 130 Ų | 130 | 92 Ų | 92 | 61% | 0.607 | 47% | 0.467 | S | S | * | . | trans | -62.3 | 107.5 | 175.5 | -75.8 | -175.4 | 0 | 0 | 0 | 107.8 | V134 R138 | V134-Q136 PolarHBondContact O-N 2.97Å; Q136-R138 PolarHBondContact O-N 3.13Å | ||
| 137 | Y | 87.9 | Confident | 72.3 | Confident | 115 Ų | 115 | 83.9 Ų | 83.9 | 45% | 0.451 | 43% | 0.427 | S | S | . | . | trans | -58.1 | 134.2 | 176 | -175.6 | -105.8 | 0 | 0 | 0 | 110.2 | K135 K140 S163 | K135-Y137 PolarHBondContact O-N 2.9Å; Y137-K140 HydrophobicContact CE2-CG 4.4Å; Y137-K140 WeakPolarHBondContact OH-CG 3.46Å; Y137-S163 WeakPolarHBondContact CE1-O 3.31Å | ||
| 138 | R | 93.4 | Very high | 74.9 | Confident | 28 Ų | 28 | 78.5 Ų | 78.5 | 11% | 0.106 | 40% | 0.404 | C | S | . | . | trans | -121.8 | 4.4 | -174.8 | -75.3 | 171.8 | 179.2 | -92.3 | -2.2 | 113.6 | Q136 K165 I236 L258 | Q136-R138 PolarHBondContact O-N 3.13Å; R138-K165 HydrophobicContact CG-CD 4.34Å; R138-K165 PolarHBondContact O-N 2.99Å; R138-I236 VanDerWaalsContact CD-O 3.29Å; R138-I236 WeakPolarHBondContact CD-O 3.35Å; R138-I236 WeakPolarHBondContact CG-O 3.45Å; R138-I236 PolarHBondContact NH1-O 3.3Å; R138-L258 HydrophobicContact CB-CB 3.98Å | ||
| 139 | G | 95 | Very high | 77.3 | Confident | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 38% | 0.378 | C | S | . | . | trans | 92.1 | -179.9 | -171.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | D162 S163 L258 | G139-D162 CarbonylContact C-O 3.47Å; G139-D162 WeakPolarHBondContact CA-O 2.99Å; G139-S163 WeakPolarHBondContact CA-O 3.45Å; G139-S163 PolarHBondContact N-O 3.47Å; G139-L258 WeakPolarHBondContact O-CB 3.2Å; G139-L258 PolarHBondContact O-N 2.7Å | ||
| 140 | K | 97 | Very high | 79.7 | Confident | 70 Ų | 70 | 73.5 Ų | 73.5 | 30% | 0.304 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 155.6 | 177.7 | -44 | -164.6 | -174.7 | -124.1 | 0 | 110.4 | Y137 A161 D162 W255 Q256 D257 | Y137-K140 HydrophobicContact CE2-CG 4.4Å; Y137-K140 WeakPolarHBondContact OH-CG 3.46Å; K140-A161 CarbonylContact O-C 3.56Å; K140-A161 VanDerWaalsContact O-CA 3.25Å; K140-A161 WeakPolarHBondContact O-CA 3.34Å; K140-A161 WeakPolarHBondContact O-CB 3.34Å; K140-D162 PolarHBondContact N-O 3.37Å; K140-D162 PolarHBondContact O-N 3.33Å; K140-W255 HydrophobicContact CB-CE3 3.68Å; K140-W255 HydrophobicContact CB-CZ3 4.06Å; K140-Q256 CarbonylContact C-O 3.49Å; K140-Q256 VanDerWaalsContact CA-O 3.26Å; K140-Q256 WeakPolarHBondContact CA-O 3.41Å; K140-D257 WeakPolarHBondContact CD-OD1 3.4Å; K140-D257 WeakPolarHBondContact CE-OD1 3.41Å; K140-D257 WeakPolarHBondContact CG-OD1 3.39Å; K140-D257 IonicContact NZ-OD1 2.77Å; K140-D257 PolarHBondContact NZ-OD1 2.62Å; K140-D257 IonicContact NZ-OD2 3.5Å |
| 141 | L | 98.3 | Very high | 82 | Confident | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 129.4 | 174.2 | -173.7 | 69.4 | 0 | 0 | 0 | 109.2 | I158 A161 V177 M222 L239 Q256 L258 | L141-I158 HydrophobicContact CD1-CG2 4.22Å; L141-A161 HydrophobicContact CD1-CB 3.93Å; L141-V177 HydrophobicContact CD1-CG2 4.36Å; L141-M222 HydrophobicContact CD2-CB 3.88Å; L141-M222 HydrophobicContact CD2-SD 4.2Å; L141-L239 HydrophobicContact CD2-CD2 4.35Å; L141-Q256 PolarHBondContact N-O 3.14Å; L141-Q256 PolarHBondContact O-N 2.81Å; L141-L258 HydrophobicContact CB-CD2 4.08Å |
| 142 | L | 98.3 | Very high | 84.5 | Confident | 18 Ų | 18 | 63.1 Ų | 63.1 | 9% | 0.094 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 116.5 | 166.3 | -177.4 | 60.1 | 0 | 0 | 0 | 107.9 | K159 Q160 E253 E254 W255 | L142-K159 HydrophobicContact CB-CB 4.18Å; L142-K159 HydrophobicContact CD2-CB 3.94Å; L142-K159 HydrophobicContact CD2-CG 4.43Å; L142-K159 HydrophobicContact CG-CB 3.87Å; L142-K159 HydrophobicContact CG-CG 4.18Å; L142-K159 WeakPolarHBondContact O-CB 3.43Å; L142-K159 PolarHBondContact O-N 2.75Å; L142-Q160 HydrophobicContact CB-CG 3.89Å; L142-Q160 HydrophobicContact CD2-CG 3.91Å; L142-Q160 PolarHBondContact N-O 3.48Å; L142-Q160 PolarHBondContact O-N 3.07Å; L142-E253 HydrophobicContact CD1-CG 3.98Å; L142-E253 HydrophobicContact CG-CG 4.5Å; L142-E254 VanDerWaalsContact CD1-C 3.46Å; L142-E254 WeakPolarHBondContact CD1-O 3.39Å; L142-W255 HydrophobicContact CB-CD2 3.76Å; L142-W255 HydrophobicContact CB-CE3 3.78Å; L142-W255 HydrophobicContact CB-CG 4.48Å; L142-W255 HydrophobicContact CB-CH2 3.92Å; L142-W255 HydrophobicContact CB-CZ2 3.89Å; L142-W255 HydrophobicContact CB-CZ3 3.85Å; L142-W255 HydrophobicContact CD1-CD2 4.21Å; L142-W255 HydrophobicContact CD1-CG 4.1Å; L142-W255 HydrophobicContact CD2-CZ2 4.19Å; L142-W255 HydrophobicContact CG-CD2 4.46Å |
| 143 | Y | 97.6 | Very high | 87 | Confident | 2 Ų | 2 | 62.8 Ų | 62.8 | 1% | 0.008 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 160.1 | -179.8 | 75.2 | -80.5 | 0 | 0 | 0 | 109.9 | L145 G157 M222 L239 V241 E253 E254 Q256 | Y143-L145 HydrophobicContact CD2-CD1 4.17Å; Y143-L145 HydrophobicContact CD2-CD2 4.38Å; Y143-L145 HydrophobicContact CD2-CG 3.8Å; Y143-L145 HydrophobicContact CE2-CD1 3.55Å; Y143-L145 HydrophobicContact CE2-CG 3.63Å; Y143-G157 CarbonylContact C-O 3.43Å; Y143-G157 VanDerWaalsContact CA-O 3.23Å; Y143-G157 WeakPolarHBondContact CA-O 3.42Å; Y143-M222 HydrophobicContact CD2-CE 3.98Å; Y143-M222 HydrophobicContact CD2-SD 4.09Å; Y143-M222 HydrophobicContact CE2-CE 4.35Å; Y143-M222 HydrophobicContact CG-CE 4.15Å; Y143-M222 HydrophobicContact CG-SD 3.92Å; Y143-L239 HydrophobicContact CD1-CD2 3.52Å; Y143-L239 HydrophobicContact CE1-CD2 3.71Å; Y143-L239 HydrophobicContact CG-CD2 4.2Å; Y143-V241 HydrophobicContact CE1-CG2 4.28Å; Y143-V241 HydrophobicContact CE2-CG1 4.42Å; Y143-V241 HydrophobicContact CE2-CG2 3.93Å; Y143-V241 WeakPolarHBondContact OH-CG2 3.41Å; Y143-E253 WeakPolarHBondContact O-CA 3.25Å; Y143-E254 HydrophobicContact CD1-CG 4.46Å; Y143-E254 WeakPolarHBondContact CD1-O 3.19Å; Y143-E254 HydrophobicContact CE1-CG 3.57Å; Y143-E254 PolarHBondContact N-O 2.94Å; Y143-E254 PolarHBondContact O-N 3.01Å; Y143-E254 PolarHBondContact OH-OE1 3.13Å; Y143-Q256 HydrophobicContact CE1-CB 4.08Å |
| 144 | S | 96.4 | Very high | 89.3 | Confident | 7 Ų | 7 | 58.4 Ų | 58.4 | 5% | 0.049 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 144.9 | 170.2 | 70.7 | 0 | 0 | 0 | 0 | 111.8 | V156 G157 K159 I252 | S144-V156 CarbonylContact O-C 3.59Å; S144-V156 WeakPolarHBondContact O-CA 3.42Å; S144-G157 PolarHBondContact N-O 2.96Å; S144-G157 PolarHBondContact O-N 2.71Å; S144-G157 WeakPolarHBondContact OG-CA 3.09Å; S144-K159 WeakPolarHBondContact OG-CE 3.42Å; S144-I252 CarbonylContact C-O 3.4Å; S144-I252 WeakPolarHBondContact CA-O 3.41Å; S144-I252 WeakPolarHBondContact CB-O 3.39Å |
| 145 | L | 95.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 131.3 | 173.9 | -62.8 | 175.2 | 0 | 0 | 0 | 109.7 | Y143 T155 V156 A220 V241 L243 I246 I252 | Y143-L145 HydrophobicContact CD2-CD1 4.17Å; Y143-L145 HydrophobicContact CD2-CD2 4.38Å; Y143-L145 HydrophobicContact CD2-CG 3.8Å; Y143-L145 HydrophobicContact CE2-CD1 3.55Å; Y143-L145 HydrophobicContact CE2-CG 3.63Å; L145-T155 WeakPolarHBondContact CA-O 3.21Å; L145-V156 HydrophobicContact CD2-CB 4.08Å; L145-V156 HydrophobicContact CD2-CG1 3.82Å; L145-V156 HydrophobicContact CD2-CG2 3.68Å; L145-A220 HydrophobicContact CD2-CB 4.5Å; L145-V241 HydrophobicContact CD1-CB 4.26Å; L145-V241 HydrophobicContact CD1-CG1 3.77Å; L145-L243 HydrophobicContact CD1-CD2 3.93Å; L145-I246 HydrophobicContact CB-CD1 4.02Å; L145-I246 HydrophobicContact CD1-CD1 3.75Å; L145-I246 HydrophobicContact CG-CD1 4.44Å; L145-I252 HydrophobicContact CB-CB 4.38Å; L145-I252 PolarHBondContact N-O 2.8Å; L145-I252 PolarHBondContact O-N 2.79Å |
| 146 | E | 94.4 | Very high | 93.4 | Very high | 94 Ų | 94 | 44 Ų | 44 | 44% | 0.439 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 129.7 | 176.2 | -178 | -179.9 | -177.6 | 0 | 0 | 108.9 | T155 V251 | E146-T155 PolarHBondContact N-O 3.01Å; E146-T155 PolarHBondContact O-N 2.87Å; E146-V251 HydrophobicContact CB-CG1 4.48Å; E146-V251 HydrophobicContact CB-CG2 4.13Å; E146-V251 HydrophobicContact CG-CG2 3.93Å |
| 147 | Y | 94.1 | Very high | 94.5 | Very high | 6 Ų | 6 | 37.8 Ų | 37.8 | 2% | 0.024 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 115.7 | 178.4 | -175.7 | -108 | 0 | 0 | 0 | 111.6 | A149 E153 L154 L210 S211 K212 L215 | Y147-A149 HydrophobicContact CD1-CB 4.37Å; Y147-A149 HydrophobicContact CE1-CB 4Å; Y147-A149 PolarHBondContact O-N 3.03Å; Y147-E153 VanDerWaalsContact CD2-O 3.28Å; Y147-E153 WeakPolarHBondContact CD2-O 3.36Å; Y147-L154 HydrophobicContact CD2-CB 4.09Å; Y147-L154 HydrophobicContact CD2-CD1 4.36Å; Y147-L210 WeakPolarHBondContact CE2-O 3.46Å; Y147-L210 PolarHBondContact OH-O 2.83Å; Y147-S211 VanDerWaalsContact OH-C 3.32Å; Y147-K212 PolarHBondContact OH-N 3.1Å; Y147-K212 VanDerWaalsContact OH-N 3.08Å; Y147-L215 HydrophobicContact CD1-CD2 3.75Å; Y147-L215 HydrophobicContact CD2-CD1 3.92Å; Y147-L215 HydrophobicContact CD2-CD2 4.07Å; Y147-L215 HydrophobicContact CE1-CD2 3.94Å; Y147-L215 HydrophobicContact CE2-CD1 4.19Å; Y147-L215 HydrophobicContact CE2-CD2 4.26Å; Y147-L215 HydrophobicContact CG-CD1 4.35Å; Y147-L215 HydrophobicContact CG-CD2 3.8Å |
| 148 | N | 92.4 | Very high | 95 | Very high | 61 Ų | 61 | 32.3 Ų | 32.3 | 33% | 0.326 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 103 | 172.7 | -171.9 | -35.9 | 0 | 0 | 0 | 110 | T150 L151 S152 E153 | N148-T150 VanDerWaalsContact C-N 3.31Å; N148-T150 PolarHBondContact O-N 2.87Å; N148-T150 WeakPolarHBondContact OD1-CB 3.31Å; N148-T150 PolarHBondContact OD1-N 3.28Å; N148-L151 HydrophobicContact CB-CB 4.36Å; N148-L151 PolarHBondContact O-N 3.06Å; N148-L151 PolarHBondContact OD1-N 3.39Å; N148-S152 WeakPolarHBondContact O-CA 3.43Å; N148-S152 PolarHBondContact O-N 2.83Å; N148-E153 PolarHBondContact N-O 2.94Å; N148-E153 PolarHBondContact O-N 3.39Å |
| 149 | A | 88.9 | Confident | 95.2 | Very high | 45 Ų | 45 | 32.6 Ų | 32.6 | 37% | 0.372 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -31.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y147 | Y147-A149 HydrophobicContact CD1-CB 4.37Å; Y147-A149 HydrophobicContact CE1-CB 4Å; Y147-A149 PolarHBondContact O-N 3.03Å |
| 150 | T | 90.8 | Very high | 95.3 | Very high | 132 Ų | 132 | 35.6 Ų | 35.6 | 81% | 0.81 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -40.7 | -179.9 | -53 | 0 | 0 | 0 | 0 | 111.1 | N148 | N148-T150 VanDerWaalsContact C-N 3.31Å; N148-T150 PolarHBondContact O-N 2.87Å; N148-T150 WeakPolarHBondContact OD1-CB 3.31Å; N148-T150 PolarHBondContact OD1-N 3.28Å |
| 151 | L | 91.6 | Very high | 95.4 | Very high | 93 Ų | 93 | 32.4 Ų | 32.4 | 49% | 0.487 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -10.5 | 179 | -59.9 | -179.3 | 0 | 0 | 0 | 113.1 | N148 E153 | N148-L151 HydrophobicContact CB-CB 4.36Å; N148-L151 PolarHBondContact O-N 3.06Å; N148-L151 PolarHBondContact OD1-N 3.39Å; L151-E153 VanDerWaalsContact C-N 3.27Å; L151-E153 HydrophobicContact CB-CB 4.14Å; L151-E153 HydrophobicContact CB-CG 3.91Å; L151-E153 PolarHBondContact O-N 2.89Å |
| 152 | S | 93.2 | Very high | 95.3 | Very high | 46 Ų | 46 | 35.3 Ų | 35.3 | 32% | 0.322 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 44.4 | -168.8 | -62.2 | 0 | 0 | 0 | 0 | 112.1 | N148 L210 | N148-S152 WeakPolarHBondContact O-CA 3.43Å; N148-S152 PolarHBondContact O-N 2.83Å; S152-L210 CarbonylContact C-O 3.48Å; S152-L210 CarbonylContact O-C 3.58Å; S152-L210 PolarHBondContact O-N 3.12Å |
| 153 | E | 93.9 | Very high | 95.1 | Very high | 52 Ų | 52 | 37 Ų | 37 | 24% | 0.243 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 131.2 | -175.2 | -75.3 | -178.5 | 175.6 | 0 | 0 | 111.5 | Y147 N148 L151 T207 F208 Q209 | Y147-E153 VanDerWaalsContact CD2-O 3.28Å; Y147-E153 WeakPolarHBondContact CD2-O 3.36Å; N148-E153 PolarHBondContact N-O 2.94Å; N148-E153 PolarHBondContact O-N 3.39Å; L151-E153 VanDerWaalsContact C-N 3.27Å; L151-E153 HydrophobicContact CB-CB 4.14Å; L151-E153 HydrophobicContact CB-CG 3.91Å; L151-E153 PolarHBondContact O-N 2.89Å; E153-T207 HydrophobicContact CB-CG2 3.9Å; E153-T207 HydrophobicContact CG-CG2 3.97Å; E153-F208 WeakPolarHBondContact CA-O 3.23Å; E153-Q209 PolarHBondContact OE1-NE2 3.36Å |
| 154 | L | 94.9 | Very high | 95 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 121.5 | 168.4 | 178.2 | 75 | 0 | 0 | 0 | 109.2 | Y147 V156 I181 T207 F208 L210 L215 L243 I246 | Y147-L154 HydrophobicContact CD2-CB 4.09Å; Y147-L154 HydrophobicContact CD2-CD1 4.36Å; L154-V156 HydrophobicContact CD2-CG2 3.93Å; L154-V156 HydrophobicContact CG-CG2 4.07Å; L154-I181 HydrophobicContact CD2-CD1 3.78Å; L154-I181 HydrophobicContact CD2-CG1 4.49Å; L154-T207 WeakPolarHBondContact O-CA 3.49Å; L154-F208 HydrophobicContact CB-CB 4.44Å; L154-F208 PolarHBondContact N-O 2.85Å; L154-F208 PolarHBondContact O-N 3.45Å; L154-L210 HydrophobicContact CB-CD2 4.44Å; L154-L210 HydrophobicContact CD2-CD2 4.16Å; L154-L215 HydrophobicContact CD1-CD1 4.34Å; L154-L243 HydrophobicContact CD2-CD1 3.62Å; L154-L243 HydrophobicContact CD2-CD2 4.25Å; L154-I246 HydrophobicContact CD1-CD1 4.18Å |
| 155 | T | 95.8 | Very high | 94.8 | Very high | 25 Ų | 25 | 39.8 Ų | 39.8 | 15% | 0.153 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 122.4 | 170.9 | -60.2 | 0 | 0 | 0 | 0 | 109.3 | L145 E146 Q205 F206 | L145-T155 WeakPolarHBondContact CA-O 3.21Å; E146-T155 PolarHBondContact N-O 3.01Å; E146-T155 PolarHBondContact O-N 2.87Å; T155-Q205 HydrophobicContact CG2-CB 4.28Å; T155-F206 CarbonylContact C-O 3.57Å; T155-F206 WeakPolarHBondContact CA-O 3.41Å |
| 156 | V | 97.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 114.2 | 175.2 | -173.8 | 0 | 0 | 0 | 0 | 108.6 | S144 L145 L154 I158 V179 Q205 F206 F208 M222 | S144-V156 CarbonylContact O-C 3.59Å; S144-V156 WeakPolarHBondContact O-CA 3.42Å; L145-V156 HydrophobicContact CD2-CB 4.08Å; L145-V156 HydrophobicContact CD2-CG1 3.82Å; L145-V156 HydrophobicContact CD2-CG2 3.68Å; L154-V156 HydrophobicContact CD2-CG2 3.93Å; L154-V156 HydrophobicContact CG-CG2 4.07Å; V156-I158 HydrophobicContact CG1-CD1 4.22Å; V156-V179 HydrophobicContact CB-CG1 4.11Å; V156-V179 HydrophobicContact CG1-CG1 3.71Å; V156-V179 HydrophobicContact CG2-CG1 4.43Å; V156-Q205 WeakPolarHBondContact O-CA 2.87Å; V156-F206 PolarHBondContact N-O 2.97Å; V156-F206 PolarHBondContact O-N 2.86Å; V156-F208 HydrophobicContact CB-CE2 4.21Å; V156-F208 HydrophobicContact CG2-CD2 3.87Å; V156-F208 HydrophobicContact CG2-CE2 3.72Å; V156-M222 HydrophobicContact CG1-SD 4.27Å |
| 157 | G | 97.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 129.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y143 S144 E204 | Y143-G157 CarbonylContact C-O 3.43Å; Y143-G157 VanDerWaalsContact CA-O 3.23Å; Y143-G157 WeakPolarHBondContact CA-O 3.42Å; S144-G157 PolarHBondContact N-O 2.96Å; S144-G157 PolarHBondContact O-N 2.71Å; S144-G157 WeakPolarHBondContact OG-CA 3.09Å; G157-E204 CarbonylContact C-O 3.44Å; G157-E204 WeakPolarHBondContact CA-O 3.48Å |
| 158 | I | 98.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 104.8 | 170.4 | -53.3 | -56.2 | 0 | 0 | 0 | 107.1 | L141 V156 V177 V179 T191 F202 N203 E204 F206 M222 | L141-I158 HydrophobicContact CD1-CG2 4.22Å; V156-I158 HydrophobicContact CG1-CD1 4.22Å; I158-V177 HydrophobicContact CD1-CG1 4.29Å; I158-V177 HydrophobicContact CG1-CG1 4.48Å; I158-V177 HydrophobicContact CG2-CB 4.09Å; I158-V177 HydrophobicContact CG2-CG1 4.4Å; I158-V177 HydrophobicContact CG2-CG2 3.82Å; I158-V179 HydrophobicContact CD1-CG2 3.67Å; I158-V179 HydrophobicContact CG1-CG2 3.63Å; I158-T191 HydrophobicContact CB-CG2 4.05Å; I158-T191 HydrophobicContact CG1-CG2 4.25Å; I158-T191 HydrophobicContact CG2-CG2 3.97Å; I158-F202 HydrophobicContact CG2-CB 4.06Å; I158-F202 HydrophobicContact CG2-CD2 3.68Å; I158-F202 HydrophobicContact CG2-CE2 4.33Å; I158-F202 HydrophobicContact CG2-CG 3.98Å; I158-F202 WeakPolarHBondContact O-CB 3.48Å; I158-N203 WeakPolarHBondContact O-CA 3.45Å; I158-N203 PolarHBondContact O-N 3.48Å; I158-E204 PolarHBondContact N-O 2.71Å; I158-E204 PolarHBondContact O-N 3Å; I158-F206 HydrophobicContact CG1-CD2 4.22Å; I158-F206 HydrophobicContact CG1-CE2 3.89Å; I158-M222 HydrophobicContact CD1-CG 3.81Å; I158-M222 HydrophobicContact CD1-SD 3.78Å |
| 159 | K | 97.5 | Very high | 92.7 | Very high | 34 Ų | 34 | 47.5 Ų | 47.5 | 15% | 0.148 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | -67.4 | -171.3 | -56.3 | -65.1 | -174.7 | 164.7 | 0 | 110.9 | L142 S144 F202 N203 E253 | L142-K159 HydrophobicContact CB-CB 4.18Å; L142-K159 HydrophobicContact CD2-CB 3.94Å; L142-K159 HydrophobicContact CD2-CG 4.43Å; L142-K159 HydrophobicContact CG-CB 3.87Å; L142-K159 HydrophobicContact CG-CG 4.18Å; L142-K159 WeakPolarHBondContact O-CB 3.43Å; L142-K159 PolarHBondContact O-N 2.75Å; S144-K159 WeakPolarHBondContact OG-CE 3.42Å; K159-F202 PolarHBondContact O-N 3.31Å; K159-N203 PolarHBondContact O-N 2.9Å; K159-E253 VanDerWaalsContact CE-OE2 3.26Å; K159-E253 WeakPolarHBondContact CE-OE2 3.37Å; K159-E253 IonicContact NZ-OE2 2.92Å |
| 160 | Q | 97.7 | Very high | 91.7 | Very high | 63 Ų | 63 | 48.3 Ų | 48.3 | 29% | 0.294 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 160.3 | -178.3 | 56.8 | -177.5 | 6.1 | 0 | 0 | 110.3 | L142 P200 F201 W255 | L142-Q160 HydrophobicContact CB-CG 3.89Å; L142-Q160 HydrophobicContact CD2-CG 3.91Å; L142-Q160 PolarHBondContact N-O 3.48Å; L142-Q160 PolarHBondContact O-N 3.07Å; Q160-P200 CarbonylContact C-O 3.58Å; Q160-P200 WeakPolarHBondContact CA-O 3.42Å; Q160-P200 VanDerWaalsContact CB-O 3.31Å; Q160-P200 WeakPolarHBondContact CB-O 3.47Å; Q160-F201 HydrophobicContact CB-CD2 3.82Å; Q160-F201 HydrophobicContact CB-CE2 4.44Å; Q160-F201 HydrophobicContact CG-CD2 4.42Å; Q160-F201 VanDerWaalsContact OE1-CD2 3.22Å; Q160-W255 HydrophobicContact CG-CH2 3.71Å; Q160-W255 HydrophobicContact CG-CZ2 3.95Å; Q160-W255 VanDerWaalsContact NE2-CZ2 3.27Å |
| 161 | A | 97.9 | Very high | 91.2 | Very high | 2 Ų | 2 | 52.5 Ų | 52.5 | 2% | 0.017 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 155.6 | 168 | 0 | 0 | 0 | 0 | 0 | 110 | K140 L141 L164 N199 P200 F202 | K140-A161 CarbonylContact O-C 3.56Å; K140-A161 VanDerWaalsContact O-CA 3.25Å; K140-A161 WeakPolarHBondContact O-CA 3.34Å; K140-A161 WeakPolarHBondContact O-CB 3.34Å; L141-A161 HydrophobicContact CD1-CB 3.93Å; A161-L164 HydrophobicContact CB-CD1 3.91Å; A161-L164 HydrophobicContact CB-CD2 3.77Å; A161-L164 HydrophobicContact CB-CG 3.86Å; A161-N199 CarbonylContact O-C 3.57Å; A161-N199 VanDerWaalsContact O-CA 3.23Å; A161-N199 WeakPolarHBondContact O-CA 3.14Å; A161-P200 HydrophobicContact CB-CG 3.86Å; A161-P200 PolarHBondContact N-O 3.47Å; A161-F202 HydrophobicContact CB-CE2 4.19Å |
| 162 | D | 96.7 | Very high | 91 | Very high | 61 Ų | 61 | 48.7 Ų | 48.7 | 33% | 0.326 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 141.2 | 178.6 | -177.5 | 70.9 | 0 | 0 | 0 | 111.1 | G139 K140 L164 N199 W255 | G139-D162 CarbonylContact C-O 3.47Å; G139-D162 WeakPolarHBondContact CA-O 2.99Å; K140-D162 PolarHBondContact N-O 3.37Å; K140-D162 PolarHBondContact O-N 3.33Å; D162-L164 PolarHBondContact O-N 3.27Å; D162-N199 WeakPolarHBondContact CA-OD1 3.42Å; D162-N199 PolarHBondContact OD1-OD1 3.09Å; D162-W255 HydrophobicContact CB-CH2 3.61Å; D162-W255 HydrophobicContact CB-CZ3 3.71Å |
| 163 | S | 94.9 | Very high | 90.9 | Very high | 53 Ų | 53 | 46.5 Ų | 46.5 | 37% | 0.371 | 25% | 0.248 | S | C | . | . | S | Bend | trans | 51.8 | 42 | 173.7 | -58.1 | 0 | 0 | 0 | 0 | 113.1 | Y137 G139 L198 N199 | Y137-S163 WeakPolarHBondContact CE1-O 3.31Å; G139-S163 WeakPolarHBondContact CA-O 3.45Å; G139-S163 PolarHBondContact N-O 3.47Å; S163-L198 PolarHBondContact N-O 2.63Å; S163-N199 PolarHBondContact N-OD1 3.33Å |
| 164 | L | 95.8 | Very high | 91 | Very high | 5 Ų | 5 | 45.7 Ų | 45.7 | 3% | 0.026 | 25% | 0.246 | C | C | . | . | P | Polyproline II helix | trans | -57.7 | 149 | 178.5 | -68.1 | -178.8 | 0 | 0 | 0 | 111.6 | A161 D162 A166 P175 L198 P200 V224 I236 L258 | A161-L164 HydrophobicContact CB-CD1 3.91Å; A161-L164 HydrophobicContact CB-CD2 3.77Å; A161-L164 HydrophobicContact CB-CG 3.86Å; D162-L164 PolarHBondContact O-N 3.27Å; L164-A166 PolarHBondContact O-N 2.86Å; L164-P175 HydrophobicContact CD1-CB 3.56Å; L164-P175 HydrophobicContact CD1-CG 3.95Å; L164-L198 HydrophobicContact CB-CB 4.27Å; L164-L198 HydrophobicContact CB-CD2 4.32Å; L164-L198 WeakPolarHBondContact CB-O 3.23Å; L164-L198 VanDerWaalsContact CG-O 3.31Å; L164-L198 WeakPolarHBondContact CG-O 3.47Å; L164-L198 PolarHBondContact N-O 2.85Å; L164-L198 WeakPolarHBondContact O-CD2 3.48Å; L164-P200 HydrophobicContact CD1-CG 3.92Å; L164-V224 HydrophobicContact CD1-CG1 4.02Å; L164-V224 HydrophobicContact CD2-CG1 4.18Å; L164-I236 HydrophobicContact CB-CG2 4.36Å; L164-I236 HydrophobicContact CD1-CD1 4.37Å; L164-I236 HydrophobicContact CD2-CG2 4.25Å; L164-L258 HydrophobicContact CD2-CD1 3.48Å; L164-L258 VanDerWaalsContact CD2-CD1 3.48Å |
| 165 | K | 92.3 | Very high | 91.1 | Very high | 64 Ų | 64 | 45.7 Ų | 45.7 | 28% | 0.278 | 25% | 0.246 | S | C | . | . | P | Polyproline II helix | trans | -69.7 | 122.2 | 173.8 | 175.6 | 178.9 | -179.1 | 176.1 | 0 | 110.4 | R138 M167 S173 I236 | R138-K165 HydrophobicContact CG-CD 4.34Å; R138-K165 PolarHBondContact O-N 2.99Å; K165-M167 HydrophobicContact CD-SD 4.1Å; K165-M167 HydrophobicContact CG-SD 4.03Å; K165-M167 PolarHBondContact O-N 3.04Å; K165-S173 PolarHBondContact O-OG 3.31Å; K165-I236 HydrophobicContact CB-CG2 4.08Å |
| 166 | A | 90.4 | Very high | 91.2 | Very high | 39 Ų | 39 | 44.8 Ų | 44.8 | 32% | 0.322 | 24% | 0.24 | S | C | . | . | P | Polyproline II helix | trans | -64.2 | 125.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L164 R171 S173 L198 | L164-A166 PolarHBondContact O-N 2.86Å; A166-R171 VanDerWaalsContact CB-O 3.31Å; A166-R171 WeakPolarHBondContact CB-O 3.47Å; A166-S173 WeakPolarHBondContact CA-OG 3.49Å; A166-L198 HydrophobicContact CB-CD1 4.31Å; A166-L198 HydrophobicContact CB-CD2 4.13Å |
| 167 | M | 86 | Confident | 91.3 | Very high | 50 Ų | 50 | 44.8 Ų | 44.8 | 25% | 0.246 | 24% | 0.24 | C | C | . | . | trans | -105.7 | -28.4 | 178.5 | -58.4 | -55 | -60.3 | 0 | 0 | 112.8 | K165 S172 S173 D226 E234 I236 | K165-M167 HydrophobicContact CD-SD 4.1Å; K165-M167 HydrophobicContact CG-SD 4.03Å; K165-M167 PolarHBondContact O-N 3.04Å; M167-S172 PolarHBondContact N-O 3.23Å; M167-S173 PolarHBondContact N-OG 2.79Å; M167-D226 HydrophobicContact CB-CB 3.94Å; M167-D226 WeakPolarHBondContact CB-OD2 3.29Å; M167-D226 HydrophobicContact CG-CB 3.98Å; M167-E234 HydrophobicContact CE-CB 4.01Å; M167-E234 WeakPolarHBondContact CE-OE2 3.47Å; M167-I236 HydrophobicContact CG-CD1 4.46Å; M167-I236 HydrophobicContact CG-CG1 3.72Å | ||
| 168 | D | 83.2 | Confident | 91.3 | Very high | 56 Ų | 56 | 47.3 Ų | 47.3 | 30% | 0.299 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -81.9 | 157.1 | -178.4 | -75.8 | -44.2 | 0 | 0 | 0 | 114.1 | G170 R171 S172 | D168-G170 PolarHBondContact O-N 3.36Å; D168-R171 PolarHBondContact O-N 2.92Å; D168-S172 WeakPolarHBondContact CB-O 3.31Å; D168-S172 PolarHBondContact N-O 3.08Å |
| 169 | L | 71.9 | Confident | 91.3 | Very high | 178 Ų | 178 | 47.3 Ų | 47.3 | 93% | 0.932 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -23.7 | 174.3 | -75.3 | 161.5 | 0 | 0 | 0 | 113.3 | R171 | L169-R171 VanDerWaalsContact C-N 3.31Å; L169-R171 PolarHBondContact O-N 2.61Å |
| 170 | G | 68 | Low | 91.2 | Very high | 62 Ų | 62 | 45.9 Ų | 45.9 | 64% | 0.639 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83 | 7.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | D168 S172 | D168-G170 PolarHBondContact O-N 3.36Å; G170-S172 PolarHBondContact O-N 3.39Å |
| 171 | R | 79.4 | Confident | 91 | Very high | 220 Ų | 220 | 43.3 Ų | 43.3 | 83% | 0.83 | 23% | 0.232 | S | C | * | . | S | Bend | trans | 59.1 | 27.4 | -172.4 | -56.3 | 179.7 | 173.2 | -175.5 | -2.1 | 113.6 | A166 D168 L169 | A166-R171 VanDerWaalsContact CB-O 3.31Å; A166-R171 WeakPolarHBondContact CB-O 3.47Å; D168-R171 PolarHBondContact O-N 2.92Å; L169-R171 VanDerWaalsContact C-N 3.31Å; L169-R171 PolarHBondContact O-N 2.61Å |
| 172 | S | 87.8 | Confident | 90.8 | Very high | 13 Ų | 13 | 43.5 Ų | 43.5 | 9% | 0.091 | 23% | 0.233 | C | C | . | . | trans | -132 | -173.2 | 176.7 | -160.1 | 0 | 0 | 0 | 0 | 109.9 | M167 D168 G170 N196 T197 | M167-S172 PolarHBondContact N-O 3.23Å; D168-S172 WeakPolarHBondContact CB-O 3.31Å; D168-S172 PolarHBondContact N-O 3.08Å; G170-S172 PolarHBondContact O-N 3.39Å; S172-N196 WeakPolarHBondContact CB-OD1 3.49Å; S172-N196 VanDerWaalsContact OG-CA 3.32Å; S172-N196 WeakPolarHBondContact OG-CA 3.49Å; S172-N196 PolarHBondContact OG-O 2.8Å; S172-N196 PolarHBondContact OG-OD1 2.88Å; S172-T197 PolarHBondContact OG-N 2.9Å | ||
| 173 | S | 92.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.233 | C | C | . | . | trans | -150.5 | 162.8 | 174.5 | -62.9 | 0 | 0 | 0 | 0 | 109.8 | K165 A166 M167 P175 N196 T197 D226 | K165-S173 PolarHBondContact O-OG 3.31Å; A166-S173 WeakPolarHBondContact CA-OG 3.49Å; M167-S173 PolarHBondContact N-OG 2.79Å; S173-P175 WeakPolarHBondContact O-CD 3.31Å; S173-N196 CarbonylContact O-C 3.6Å; S173-N196 VanDerWaalsContact O-CA 3.29Å; S173-N196 WeakPolarHBondContact O-CA 3.32Å; S173-N196 PolarHBondContact O-N 3.28Å; S173-N196 VanDerWaalsContact O-N 3.13Å; S173-T197 PolarHBondContact O-N 3.03Å; S173-D226 VanDerWaalsContact CA-OD1 3.31Å; S173-D226 WeakPolarHBondContact CA-OD1 3.35Å; S173-D226 VanDerWaalsContact CB-OD1 3.28Å; S173-D226 WeakPolarHBondContact CB-OD1 3.39Å | ||
| 174 | D | 95.1 | Very high | 89.7 | Confident | 34 Ų | 34 | 45.8 Ų | 45.8 | 18% | 0.182 | 24% | 0.244 | C | C | . | . | trans | -106 | 71.6 | 171 | -69.7 | -15.2 | 0 | 0 | 0 | 109.5 | V193 F194 K195 N196 D226 F227 | D174-V193 HydrophobicContact CB-CG1 4.05Å; D174-F194 CarbonylContact C-O 3.58Å; D174-F194 VanDerWaalsContact C-O 3.24Å; D174-F194 WeakPolarHBondContact CA-O 3.22Å; D174-K195 VanDerWaalsContact OD1-CA 3.25Å; D174-K195 WeakPolarHBondContact OD1-CA 3.02Å; D174-N196 PolarHBondContact OD1-N 3.48Å; D174-D226 PolarHBondContact N-OD1 3.41Å; D174-F227 HydrophobicContact CB-CB 3.87Å; D174-F227 WeakPolarHBondContact O-CB 2.81Å; D174-F227 PolarHBondContact O-N 3.13Å | ||
| 175 | P | 97.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 143.2 | -167.6 | 29 | -39.3 | 0 | 0 | 0 | 114.3 | L164 S173 F194 T197 P200 F202 V224 F225 I236 | L164-P175 HydrophobicContact CD1-CB 3.56Å; L164-P175 HydrophobicContact CD1-CG 3.95Å; S173-P175 WeakPolarHBondContact O-CD 3.31Å; P175-F194 WeakPolarHBondContact CD-O 3.25Å; P175-F194 HydrophobicContact CG-CB 4.47Å; P175-F194 PolarHBondContact O-N 2.93Å; P175-T197 WeakPolarHBondContact CD-O 3.44Å; P175-T197 HydrophobicContact CG-CG2 3.92Å; P175-T197 WeakPolarHBondContact CG-O 2.84Å; P175-P200 HydrophobicContact CB-CG 4.04Å; P175-P200 HydrophobicContact CG-CB 3.8Å; P175-P200 HydrophobicContact CG-CG 3.55Å; P175-F202 HydrophobicContact CB-CZ 4.36Å; P175-V224 HydrophobicContact CB-CG1 4.39Å; P175-F225 CarbonylContact C-O 3.58Å; P175-F225 VanDerWaalsContact CA-O 3.25Å; P175-F225 WeakPolarHBondContact CA-O 3.27Å; P175-I236 HydrophobicContact CB-CD1 4.39Å |
| 176 | Y | 98.1 | Very high | 88.8 | Confident | 7 Ų | 7 | 48.9 Ų | 48.9 | 3% | 0.027 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 158.1 | 163.5 | 76.6 | -76.9 | 0 | 0 | 0 | 110.5 | K178 E190 T191 V193 F225 F227 H233 | Y176-K178 HydrophobicContact CE2-CG 3.89Å; Y176-K178 VanDerWaalsContact OH-CE 3.3Å; Y176-K178 WeakPolarHBondContact OH-CE 3.29Å; Y176-E190 HydrophobicContact CD2-CB 4.34Å; Y176-E190 HydrophobicContact CE2-CB 4.45Å; Y176-T191 WeakPolarHBondContact CA-OG1 3.33Å; Y176-V193 HydrophobicContact CD1-CG2 4.17Å; Y176-V193 HydrophobicContact CG-CG2 4.09Å; Y176-F225 HydrophobicContact CD1-CB 3.76Å; Y176-F225 HydrophobicContact CE1-CB 3.25Å; Y176-F225 HydrophobicContact CE1-CG 4.16Å; Y176-F225 HydrophobicContact CE2-CB 4.34Å; Y176-F225 HydrophobicContact CG-CB 4.46Å; Y176-F225 PolarHBondContact N-O 3.16Å; Y176-F225 PolarHBondContact O-N 3.21Å; Y176-F227 HydrophobicContact CD1-CB 4.04Å; Y176-F227 HydrophobicContact CE1-CB 4.15Å; Y176-H233 AromaticContact CE1-ND1 3.49Å; Y176-H233 WeakPolarHBondContact CE1-ND1 3.16Å; Y176-H233 AromaticContact CZ-ND1 3.53Å; Y176-H233 PolarHBondContact OH-ND1 3.39Å |
| 177 | V | 98.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 130 | -174.9 | -170.3 | 0 | 0 | 0 | 0 | 110.2 | L141 I158 V179 E190 T191 F202 M222 K223 V224 | L141-V177 HydrophobicContact CD1-CG2 4.36Å; I158-V177 HydrophobicContact CD1-CG1 4.29Å; I158-V177 HydrophobicContact CG1-CG1 4.48Å; I158-V177 HydrophobicContact CG2-CB 4.09Å; I158-V177 HydrophobicContact CG2-CG1 4.4Å; I158-V177 HydrophobicContact CG2-CG2 3.82Å; V177-V179 HydrophobicContact CG1-CG2 4.11Å; V177-E190 CarbonylContact O-C 3.45Å; V177-E190 WeakPolarHBondContact O-CA 3.33Å; V177-T191 HydrophobicContact CB-CG2 3.91Å; V177-T191 HydrophobicContact CG2-CG2 4.46Å; V177-T191 PolarHBondContact N-OG1 2.91Å; V177-T191 PolarHBondContact O-N 3.41Å; V177-F202 HydrophobicContact CG2-CD2 4.32Å; V177-F202 HydrophobicContact CG2-CE1 4.27Å; V177-F202 HydrophobicContact CG2-CE2 3.72Å; V177-F202 HydrophobicContact CG2-CZ 3.69Å; V177-M222 HydrophobicContact CG1-CB 4.18Å; V177-K223 CarbonylContact C-O 3.38Å; V177-K223 WeakPolarHBondContact CA-O 2.98Å; V177-V224 HydrophobicContact CG2-CG2 4.13Å |
| 178 | K | 97.8 | Very high | 89.2 | Confident | 52 Ų | 52 | 53.5 Ų | 53.5 | 23% | 0.226 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 131.8 | 165.4 | -58.8 | -160.6 | -172.1 | -147.5 | 0 | 110 | Y176 I188 F189 E190 M222 K223 F225 | Y176-K178 HydrophobicContact CE2-CG 3.89Å; Y176-K178 VanDerWaalsContact OH-CE 3.3Å; Y176-K178 WeakPolarHBondContact OH-CE 3.29Å; K178-I188 HydrophobicContact CB-CG2 4.37Å; K178-I188 HydrophobicContact CD-CG2 4.43Å; K178-F189 CarbonylContact C-O 3.55Å; K178-F189 VanDerWaalsContact CA-O 3.28Å; K178-F189 WeakPolarHBondContact CA-O 3.05Å; K178-E190 HydrophobicContact CD-CG 4.37Å; K178-E190 WeakPolarHBondContact CD-OE1 3.14Å; K178-E190 WeakPolarHBondContact CE-OE1 3.25Å; K178-E190 HydrophobicContact CG-CG 4.04Å; K178-E190 IonicContact NZ-OE1 2.63Å; K178-E190 PolarHBondContact NZ-OE1 2.83Å; K178-M222 WeakPolarHBondContact O-CA 3.3Å; K178-K223 PolarHBondContact N-O 2.9Å; K178-K223 PolarHBondContact O-N 3.23Å; K178-F225 HydrophobicContact CB-CD2 4.37Å; K178-F225 HydrophobicContact CB-CE2 4.03Å; K178-F225 HydrophobicContact CD-CD2 4.17Å; K178-F225 HydrophobicContact CD-CE2 3.65Å; K178-F225 HydrophobicContact CD-CZ 4.15Å; K178-F225 HydrophobicContact CG-CD2 3.76Å; K178-F225 HydrophobicContact CG-CE2 3.62Å |
| 179 | V | 97.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 128.3 | -178.7 | -169.5 | 0 | 0 | 0 | 0 | 109.5 | V156 I158 V177 F189 F206 F208 V221 M222 | V156-V179 HydrophobicContact CB-CG1 4.11Å; V156-V179 HydrophobicContact CG1-CG1 3.71Å; V156-V179 HydrophobicContact CG2-CG1 4.43Å; I158-V179 HydrophobicContact CD1-CG2 3.67Å; I158-V179 HydrophobicContact CG1-CG2 3.63Å; V177-V179 HydrophobicContact CG1-CG2 4.11Å; V179-F189 PolarHBondContact N-O 2.92Å; V179-F189 PolarHBondContact O-N 3.2Å; V179-F206 HydrophobicContact CB-CD2 4.15Å; V179-F206 HydrophobicContact CG2-CD2 3.83Å; V179-F206 HydrophobicContact CG2-CE2 3.87Å; V179-F208 HydrophobicContact CB-CZ 4.44Å; V179-F208 HydrophobicContact CG1-CE2 3.96Å; V179-F208 HydrophobicContact CG1-CZ 3.92Å; V179-V221 WeakPolarHBondContact CA-O 3.37Å; V179-M222 HydrophobicContact CG1-CG 4.25Å; V179-M222 HydrophobicContact CG2-CG 4.34Å |
| 180 | Y | 95.9 | Very high | 91.1 | Very high | 5 Ų | 5 | 49.3 Ų | 49.3 | 2% | 0.02 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 162.6 | 175.3 | 55.3 | -86.3 | 0 | 0 | 0 | 110.2 | L182 K185 K187 I188 V221 K223 E265 | Y180-L182 HydrophobicContact CD2-CD2 4.23Å; Y180-L182 HydrophobicContact CD2-CG 4.2Å; Y180-L182 HydrophobicContact CE2-CD1 4.3Å; Y180-L182 HydrophobicContact CE2-CD2 4.09Å; Y180-L182 HydrophobicContact CE2-CG 3.98Å; Y180-K185 HydrophobicContact CD2-CD 4.22Å; Y180-K185 HydrophobicContact CD2-CG 3.71Å; Y180-K185 HydrophobicContact CE2-CD 4.3Å; Y180-K185 HydrophobicContact CE2-CG 4.28Å; Y180-K185 HydrophobicContact CG-CG 4.11Å; Y180-K187 WeakPolarHBondContact CB-O 3.28Å; Y180-I188 HydrophobicContact CD1-CG2 4.3Å; Y180-V221 HydrophobicContact CD2-CB 4Å; Y180-V221 HydrophobicContact CD2-CG2 4.36Å; Y180-V221 HydrophobicContact CE1-CB 4.22Å; Y180-V221 HydrophobicContact CE1-CG1 4.04Å; Y180-V221 HydrophobicContact CE2-CB 3.57Å; Y180-V221 HydrophobicContact CE2-CG1 3.83Å; Y180-V221 HydrophobicContact CE2-CG2 3.88Å; Y180-V221 VanDerWaalsContact CZ-CG1 3.45Å; Y180-V221 PolarHBondContact N-O 2.82Å; Y180-V221 VanDerWaalsContact N-O 3.1Å; Y180-V221 PolarHBondContact O-N 3.41Å; Y180-V221 VanDerWaalsContact OH-CG1 3.25Å; Y180-V221 WeakPolarHBondContact OH-CG1 3.03Å; Y180-K223 HydrophobicContact CE1-CD 4.3Å; Y180-K223 VanDerWaalsContact OH-CD 3.31Å; Y180-K223 WeakPolarHBondContact OH-CD 3.49Å; Y180-K223 WeakPolarHBondContact OH-CE 3.29Å; Y180-K223 PolarHBondContact OH-NZ 3.22Å; Y180-K223 VanDerWaalsContact OH-NZ 3.08Å; Y180-E265 PolarHBondContact OH-OE1 3.16Å; Y180-E265 PolarHBondContact OH-OE2 3.24Å |
| 181 | I | 94.8 | Very high | 92.6 | Very high | 8 Ų | 8 | 46.7 Ų | 46.7 | 4% | 0.041 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 143.8 | 177.8 | -51.1 | -53.6 | 0 | 0 | 0 | 108.3 | L154 D184 F208 L210 T219 A220 L243 | L154-I181 HydrophobicContact CD2-CD1 3.78Å; L154-I181 HydrophobicContact CD2-CG1 4.49Å; I181-D184 CarbonylContact O-C 3.52Å; I181-F208 HydrophobicContact CD1-CD2 4.23Å; I181-F208 HydrophobicContact CD1-CE2 4.27Å; I181-F208 HydrophobicContact CD1-CG 4.34Å; I181-F208 HydrophobicContact CD1-CZ 4.4Å; I181-F208 HydrophobicContact CG1-CB 4.29Å; I181-F208 HydrophobicContact CG1-CD1 3.7Å; I181-F208 HydrophobicContact CG1-CD2 4.2Å; I181-F208 HydrophobicContact CG1-CE1 3.96Å; I181-F208 HydrophobicContact CG1-CE2 4.44Å; I181-F208 HydrophobicContact CG1-CG 3.81Å; I181-F208 HydrophobicContact CG1-CZ 4.3Å; I181-L210 HydrophobicContact CG2-CD2 4.33Å; I181-T219 CarbonylContact C-O 3.52Å; I181-T219 WeakPolarHBondContact CA-O 3.25Å; I181-A220 HydrophobicContact CD1-CB 3.81Å; I181-L243 HydrophobicContact CD1-CD1 4.29Å; I181-L243 HydrophobicContact CG2-CD1 4.17Å |
| 182 | L | 92.4 | Very high | 93.5 | Very high | 7 Ų | 7 | 43.3 Ų | 43.3 | 4% | 0.037 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 147.5 | 167.5 | -72.2 | 179.7 | 0 | 0 | 0 | 108.8 | Y180 K185 S218 T219 V221 R240 E267 | Y180-L182 HydrophobicContact CD2-CD2 4.23Å; Y180-L182 HydrophobicContact CD2-CG 4.2Å; Y180-L182 HydrophobicContact CE2-CD1 4.3Å; Y180-L182 HydrophobicContact CE2-CD2 4.09Å; Y180-L182 HydrophobicContact CE2-CG 3.98Å; L182-K185 HydrophobicContact CD2-CB 4.24Å; L182-K185 HydrophobicContact CD2-CG 4.5Å; L182-S218 CarbonylContact O-C 3.44Å; L182-S218 WeakPolarHBondContact O-CA 3.32Å; L182-S218 WeakPolarHBondContact O-CB 3.34Å; L182-T219 PolarHBondContact N-O 3.07Å; L182-T219 PolarHBondContact O-N 3.4Å; L182-V221 HydrophobicContact CB-CG2 4.44Å; L182-V221 HydrophobicContact CD1-CG2 3.7Å; L182-V221 HydrophobicContact CG-CG2 3.87Å; L182-R240 VanDerWaalsContact CD1-NH1 3.27Å; L182-E267 HydrophobicContact CD2-CG 4.1Å |
| 183 | P | 85.3 | Confident | 93.9 | Very high | 50 Ų | 50 | 45.5 Ų | 45.5 | 33% | 0.325 | 24% | 0.237 | S | C | . | . | S | Bend | cis | -80.7 | -14.8 | 8 | 30.9 | -35.4 | 0 | 0 | 0 | 115.3 | K185 N268 | P183-K185 PolarHBondContact O-N 2.86Å; P183-N268 HydrophobicContact CB-CB 3.59Å; P183-N268 HydrophobicContact CG-CB 4.32Å |
| 184 | D | 84.6 | Confident | 94.1 | Very high | 112 Ų | 112 | 48.7 Ų | 48.7 | 60% | 0.599 | 25% | 0.25 | S | S | * | . | trans | -85.1 | 96.6 | -178.4 | -178.6 | 12.5 | 0 | 0 | 0 | 112.7 | I181 A186 | I181-D184 CarbonylContact O-C 3.52Å; D184-A186 VanDerWaalsContact C-N 3.3Å; D184-A186 PolarHBondContact O-N 2.88Å; D184-A186 WeakPolarHBondContact OD1-CB 3.41Å; D184-A186 PolarHBondContact OD1-N 2.88Å | ||
| 185 | K | 86.3 | Confident | 94 | Very high | 46 Ų | 46 | 55.1 Ų | 55.1 | 20% | 0.2 | 28% | 0.277 | C | S | . | . | trans | -90.7 | 24.7 | 179.1 | -155.1 | -174.1 | -176.4 | -177.9 | 0 | 113.7 | Y180 L182 P183 K187 I188 E265 E267 | Y180-K185 HydrophobicContact CD2-CD 4.22Å; Y180-K185 HydrophobicContact CD2-CG 3.71Å; Y180-K185 HydrophobicContact CE2-CD 4.3Å; Y180-K185 HydrophobicContact CE2-CG 4.28Å; Y180-K185 HydrophobicContact CG-CG 4.11Å; L182-K185 HydrophobicContact CD2-CB 4.24Å; L182-K185 HydrophobicContact CD2-CG 4.5Å; P183-K185 PolarHBondContact O-N 2.86Å; K185-K187 VanDerWaalsContact C-N 3.29Å; K185-K187 PolarHBondContact O-N 3.19Å; K185-I188 HydrophobicContact CD-CD1 4.47Å; K185-I188 HydrophobicContact CG-CD1 4.2Å; K185-I188 HydrophobicContact CG-CG1 4.23Å; K185-E265 IonicContact NZ-OE1 3.22Å; K185-E267 HydrophobicContact CB-CG 4.42Å; K185-E267 HydrophobicContact CD-CG 4.09Å; K185-E267 WeakPolarHBondContact CD-OE1 3.09Å; K185-E267 IonicContact NZ-OE1 3.94Å; K185-E267 PolarHBondContact NZ-OE1 3.39Å | ||
| 186 | A | 82.3 | Confident | 93.8 | Very high | 87 Ų | 87 | 60.8 Ų | 60.8 | 72% | 0.719 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -61.9 | -35.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | D184 | D184-A186 VanDerWaalsContact C-N 3.3Å; D184-A186 PolarHBondContact O-N 2.88Å; D184-A186 WeakPolarHBondContact OD1-CB 3.41Å; D184-A186 PolarHBondContact OD1-N 2.88Å |
| 187 | K | 90.1 | Very high | 93.7 | Very high | 105 Ų | 105 | 62.1 Ų | 62.1 | 46% | 0.457 | 32% | 0.316 | S | S | . | . | trans | -114.4 | 123.5 | -178.1 | -156.1 | 177.4 | -168.4 | -171.9 | 0 | 110.9 | Y180 K185 F189 T207 F208 | Y180-K187 WeakPolarHBondContact CB-O 3.28Å; K185-K187 VanDerWaalsContact C-N 3.29Å; K185-K187 PolarHBondContact O-N 3.19Å; K187-F189 HydrophobicContact CD-CE2 3.62Å; K187-F189 HydrophobicContact CD-CZ 3.68Å; K187-F189 HydrophobicContact CG-CD2 4.42Å; K187-F189 HydrophobicContact CG-CE2 3.94Å; K187-F189 HydrophobicContact CG-CZ 4.19Å; K187-F189 VanDerWaalsContact NZ-CZ 3.29Å; K187-T207 PolarHBondContact NZ-O 3.46Å; K187-F208 HydrophobicContact CB-CD1 4.39Å; K187-F208 HydrophobicContact CB-CE1 4.32Å; K187-F208 HydrophobicContact CD-CD1 4.48Å | ||
| 188 | I | 95.1 | Very high | 93.5 | Very high | 81 Ų | 81 | 64.3 Ų | 64.3 | 42% | 0.415 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 124.6 | 175.3 | -53.6 | 174.7 | 0 | 0 | 0 | 107.5 | K178 Y180 K185 | K178-I188 HydrophobicContact CB-CG2 4.37Å; K178-I188 HydrophobicContact CD-CG2 4.43Å; Y180-I188 HydrophobicContact CD1-CG2 4.3Å; K185-I188 HydrophobicContact CD-CD1 4.47Å; K185-I188 HydrophobicContact CG-CD1 4.2Å; K185-I188 HydrophobicContact CG-CG1 4.23Å |
| 189 | F | 97.6 | Very high | 93.5 | Very high | 50 Ų | 50 | 66.1 Ų | 66.1 | 22% | 0.219 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 154.1 | 171.8 | -66 | -80.3 | 0 | 0 | 0 | 110.8 | K178 V179 K187 F206 T207 F208 | K178-F189 CarbonylContact C-O 3.55Å; K178-F189 VanDerWaalsContact CA-O 3.28Å; K178-F189 WeakPolarHBondContact CA-O 3.05Å; V179-F189 PolarHBondContact N-O 2.92Å; V179-F189 PolarHBondContact O-N 3.2Å; K187-F189 HydrophobicContact CD-CE2 3.62Å; K187-F189 HydrophobicContact CD-CZ 3.68Å; K187-F189 HydrophobicContact CG-CD2 4.42Å; K187-F189 HydrophobicContact CG-CE2 3.94Å; K187-F189 HydrophobicContact CG-CZ 4.19Å; K187-F189 VanDerWaalsContact NZ-CZ 3.29Å; F189-F206 HydrophobicContact CB-CB 4.22Å; F189-F206 HydrophobicContact CB-CD1 3.43Å; F189-F206 VanDerWaalsContact CB-CD1 3.43Å; F189-F206 HydrophobicContact CB-CD2 4.11Å; F189-F206 HydrophobicContact CB-CE1 3.71Å; F189-F206 HydrophobicContact CB-CE2 4.34Å; F189-F206 HydrophobicContact CB-CG 3.64Å; F189-F206 HydrophobicContact CB-CZ 4.15Å; F189-F206 HydrophobicContact CD1-CB 4.49Å; F189-F206 AromaticContact CD1-CD1 3.62Å; F189-F206 HydrophobicContact CD1-CD1 3.62Å; F189-F206 HydrophobicContact CD1-CE1 4.24Å; F189-F206 HydrophobicContact CD1-CG 4.32Å; F189-F206 HydrophobicContact CD2-CB 3.67Å; F189-F206 HydrophobicContact CD2-CD1 4.18Å; F189-F206 HydrophobicContact CD2-CG 4.05Å; F189-F206 HydrophobicContact CE1-CD1 4.27Å; F189-F206 HydrophobicContact CE2-CB 3.91Å; F189-F206 HydrophobicContact CG-CB 3.91Å; F189-F206 AromaticContact CG-CD1 3.51Å; F189-F206 HydrophobicContact CG-CD1 3.51Å; F189-F206 HydrophobicContact CG-CE1 4.21Å; F189-F206 AromaticContact CG-CG 3.79Å; F189-F206 HydrophobicContact CG-CG 3.79Å; F189-F206 HydrophobicContact CZ-CB 4.38Å; F189-T207 WeakPolarHBondContact CE2-O 3.3Å; F189-T207 WeakPolarHBondContact CZ-O 3.36Å; F189-F208 HydrophobicContact CD2-CD1 4.49Å; F189-F208 AromaticContact CD2-CE1 3.69Å; F189-F208 HydrophobicContact CD2-CE1 3.69Å; F189-F208 AromaticContact CD2-CE2 3.96Å; F189-F208 HydrophobicContact CD2-CE2 3.96Å; F189-F208 AromaticContact CD2-CZ 3.4Å; F189-F208 HydrophobicContact CD2-CZ 3.4Å; F189-F208 HydrophobicContact CE2-CD1 4.1Å; F189-F208 HydrophobicContact CE2-CD2 4.39Å; F189-F208 AromaticContact CE2-CE1 3.74Å; F189-F208 HydrophobicContact CE2-CE1 3.74Å; F189-F208 HydrophobicContact CE2-CE2 4.05Å; F189-F208 HydrophobicContact CE2-CG 4.43Å; F189-F208 AromaticContact CE2-CZ 3.74Å; F189-F208 HydrophobicContact CE2-CZ 3.74Å |
| 190 | E | 97.9 | Very high | 93.5 | Very high | 96 Ų | 96 | 66.2 Ų | 66.2 | 45% | 0.449 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 136.2 | 176.5 | -50.7 | -165.7 | 161.9 | 0 | 0 | 109 | Y176 V177 K178 | Y176-E190 HydrophobicContact CD2-CB 4.34Å; Y176-E190 HydrophobicContact CE2-CB 4.45Å; V177-E190 CarbonylContact O-C 3.45Å; V177-E190 WeakPolarHBondContact O-CA 3.33Å; K178-E190 HydrophobicContact CD-CG 4.37Å; K178-E190 WeakPolarHBondContact CD-OE1 3.14Å; K178-E190 WeakPolarHBondContact CE-OE1 3.25Å; K178-E190 HydrophobicContact CG-CG 4.04Å; K178-E190 IonicContact NZ-OE1 2.63Å; K178-E190 PolarHBondContact NZ-OE1 2.83Å |
| 191 | T | 98.4 | Very high | 93.5 | Very high | 8 Ų | 8 | 71.5 Ų | 71.5 | 5% | 0.049 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -72.8 | 168.5 | 169.3 | 67.6 | 0 | 0 | 0 | 0 | 110.6 | I158 Y176 V177 F202 E204 F206 | I158-T191 HydrophobicContact CB-CG2 4.05Å; I158-T191 HydrophobicContact CG1-CG2 4.25Å; I158-T191 HydrophobicContact CG2-CG2 3.97Å; Y176-T191 WeakPolarHBondContact CA-OG1 3.33Å; V177-T191 HydrophobicContact CB-CG2 3.91Å; V177-T191 HydrophobicContact CG2-CG2 4.46Å; V177-T191 PolarHBondContact N-OG1 2.91Å; V177-T191 PolarHBondContact O-N 3.41Å; T191-F202 HydrophobicContact CG2-CB 4.42Å; T191-F202 HydrophobicContact CG2-CD1 4.13Å; T191-F202 HydrophobicContact CG2-CG 4.34Å; T191-F202 WeakPolarHBondContact OG1-CD1 2.91Å; T191-F202 WeakPolarHBondContact OG1-CE1 3.42Å; T191-E204 WeakPolarHBondContact CA-OE1 3.28Å; T191-E204 VanDerWaalsContact CB-OE1 3.31Å; T191-E204 WeakPolarHBondContact CB-OE1 3.31Å; T191-E204 HydrophobicContact CG2-CB 4.41Å; T191-F206 HydrophobicContact CG2-CE2 3.88Å; T191-F206 HydrophobicContact CG2-CZ 3.9Å |
| 192 | K | 97.4 | Very high | 93.6 | Very high | 149 Ų | 149 | 71.7 Ų | 71.7 | 65% | 0.648 | 36% | 0.364 | S | S | * | . | P | Polyproline II helix | trans | -60.3 | 151.4 | 164.1 | -65 | 174.2 | -174.8 | 171 | 0 | 110.7 | F194 E204 | K192-F194 HydrophobicContact CB-CE2 4.26Å; K192-E204 WeakPolarHBondContact CB-OE1 3.39Å; K192-E204 PolarHBondContact N-OE1 3.35Å |
| 193 | V | 97.4 | Very high | 93.9 | Very high | 59 Ų | 59 | 75.7 Ų | 75.7 | 36% | 0.358 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -85.6 | 125.7 | 174.7 | -178.8 | 0 | 0 | 0 | 0 | 109.2 | D174 Y176 F227 | D174-V193 HydrophobicContact CB-CG1 4.05Å; Y176-V193 HydrophobicContact CD1-CG2 4.17Å; Y176-V193 HydrophobicContact CG-CG2 4.09Å; V193-F227 HydrophobicContact CG1-CB 3.59Å; V193-F227 HydrophobicContact CG1-CD1 4.32Å; V193-F227 HydrophobicContact CG1-CG 3.93Å; V193-F227 HydrophobicContact CG2-CB 4.17Å; V193-F227 HydrophobicContact CG2-CD2 4.02Å; V193-F227 HydrophobicContact CG2-CG 4.17Å |
| 194 | F | 95.9 | Very high | 94.5 | Very high | 66 Ų | 66 | 75 Ų | 75 | 29% | 0.289 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -101.1 | 127.3 | 172.7 | -74.8 | -101.7 | 0 | 0 | 0 | 108.9 | D174 P175 K192 T197 P200 F201 F202 | D174-F194 CarbonylContact C-O 3.58Å; D174-F194 VanDerWaalsContact C-O 3.24Å; D174-F194 WeakPolarHBondContact CA-O 3.22Å; P175-F194 WeakPolarHBondContact CD-O 3.25Å; P175-F194 HydrophobicContact CG-CB 4.47Å; P175-F194 PolarHBondContact O-N 2.93Å; K192-F194 HydrophobicContact CB-CE2 4.26Å; F194-T197 HydrophobicContact CB-CG2 3.64Å; F194-P200 HydrophobicContact CB-CB 3.94Å; F194-P200 HydrophobicContact CD2-CB 4.26Å; F194-P200 HydrophobicContact CG-CB 4.01Å; F194-F201 WeakPolarHBondContact CE1-O 3.16Å; F194-F201 WeakPolarHBondContact CZ-O 3.49Å; F194-F202 AromaticContact CD2-CD1 3.65Å; F194-F202 HydrophobicContact CD2-CD1 3.65Å; F194-F202 AromaticContact CD2-CE1 3.71Å; F194-F202 HydrophobicContact CD2-CE1 3.71Å; F194-F202 AromaticContact CE2-CD1 3.56Å; F194-F202 HydrophobicContact CE2-CD1 3.56Å; F194-F202 HydrophobicContact CE2-CE1 4.13Å; F194-F202 HydrophobicContact CE2-CG 4.34Å |
| 195 | K | 93.9 | Very high | 95.1 | Very high | 170 Ų | 170 | 75.1 Ų | 75.1 | 74% | 0.739 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -86.4 | 140.3 | -174.7 | -66.4 | -178 | -179.1 | 175 | 0 | 111.9 | D174 T197 | D174-K195 VanDerWaalsContact OD1-CA 3.25Å; D174-K195 WeakPolarHBondContact OD1-CA 3.02Å; K195-T197 VanDerWaalsContact C-N 3.33Å; K195-T197 PolarHBondContact O-N 2.77Å |
| 196 | N | 92.5 | Very high | 95.6 | Very high | 118 Ų | 118 | 73.8 Ų | 73.8 | 63% | 0.631 | 37% | 0.369 | S | S | * | . | S | Bend | trans | 49.9 | 49.1 | 168.8 | -170.8 | 43.1 | 0 | 0 | 0 | 113.1 | S172 S173 D174 | S172-N196 WeakPolarHBondContact CB-OD1 3.49Å; S172-N196 VanDerWaalsContact OG-CA 3.32Å; S172-N196 WeakPolarHBondContact OG-CA 3.49Å; S172-N196 PolarHBondContact OG-O 2.8Å; S172-N196 PolarHBondContact OG-OD1 2.88Å; S173-N196 CarbonylContact O-C 3.6Å; S173-N196 VanDerWaalsContact O-CA 3.29Å; S173-N196 WeakPolarHBondContact O-CA 3.32Å; S173-N196 PolarHBondContact O-N 3.28Å; S173-N196 VanDerWaalsContact O-N 3.13Å; D174-N196 PolarHBondContact OD1-N 3.48Å |
| 197 | T | 95.3 | Very high | 96.3 | Very high | 36 Ų | 36 | 72 Ų | 72 | 22% | 0.221 | 35% | 0.349 | C | S | . | . | trans | -140.2 | 143.9 | 177.9 | -176.3 | 0 | 0 | 0 | 0 | 111.9 | S172 S173 P175 F194 K195 N199 P200 | S172-T197 PolarHBondContact OG-N 2.9Å; S173-T197 PolarHBondContact O-N 3.03Å; P175-T197 WeakPolarHBondContact CD-O 3.44Å; P175-T197 HydrophobicContact CG-CG2 3.92Å; P175-T197 WeakPolarHBondContact CG-O 2.84Å; F194-T197 HydrophobicContact CB-CG2 3.64Å; K195-T197 VanDerWaalsContact C-N 3.33Å; K195-T197 PolarHBondContact O-N 2.77Å; T197-N199 PolarHBondContact OG1-N 3.09Å; T197-N199 VanDerWaalsContact OG1-N 3.09Å; T197-P200 HydrophobicContact CG2-CB 3.94Å | ||
| 198 | L | 95.5 | Very high | 96.6 | Very high | 46 Ų | 46 | 67.5 Ų | 67.5 | 24% | 0.241 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -101.7 | -4.3 | 170.3 | -57 | -179.3 | 0 | 0 | 0 | 112.4 | S163 L164 A166 P200 | S163-L198 PolarHBondContact N-O 2.63Å; L164-L198 HydrophobicContact CB-CB 4.27Å; L164-L198 HydrophobicContact CB-CD2 4.32Å; L164-L198 WeakPolarHBondContact CB-O 3.23Å; L164-L198 VanDerWaalsContact CG-O 3.31Å; L164-L198 WeakPolarHBondContact CG-O 3.47Å; L164-L198 PolarHBondContact N-O 2.85Å; L164-L198 WeakPolarHBondContact O-CD2 3.48Å; A166-L198 HydrophobicContact CB-CD1 4.31Å; A166-L198 HydrophobicContact CB-CD2 4.13Å; L198-P200 VanDerWaalsContact C-CD 3.42Å |
| 199 | N | 96.8 | Very high | 96.5 | Very high | 89 Ų | 89 | 69.8 Ų | 69.8 | 48% | 0.476 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -129.8 | 60.9 | -178.4 | -53.6 | -45.2 | 0 | 0 | 0 | 110.7 | A161 D162 S163 T197 | A161-N199 CarbonylContact O-C 3.57Å; A161-N199 VanDerWaalsContact O-CA 3.23Å; A161-N199 WeakPolarHBondContact O-CA 3.14Å; D162-N199 WeakPolarHBondContact CA-OD1 3.42Å; D162-N199 PolarHBondContact OD1-OD1 3.09Å; S163-N199 PolarHBondContact N-OD1 3.33Å; T197-N199 PolarHBondContact OG1-N 3.09Å; T197-N199 VanDerWaalsContact OG1-N 3.09Å |
| 200 | P | 97.3 | Very high | 96.3 | Very high | 2 Ų | 2 | 68.3 Ų | 68.3 | 1% | 0.013 | 33% | 0.333 | C | S | . | . | trans | -69.4 | 139.9 | -178.4 | 30.3 | -37.8 | 0 | 0 | 0 | 112.2 | Q160 A161 L164 P175 F194 T197 L198 F202 | Q160-P200 CarbonylContact C-O 3.58Å; Q160-P200 WeakPolarHBondContact CA-O 3.42Å; Q160-P200 VanDerWaalsContact CB-O 3.31Å; Q160-P200 WeakPolarHBondContact CB-O 3.47Å; A161-P200 HydrophobicContact CB-CG 3.86Å; A161-P200 PolarHBondContact N-O 3.47Å; L164-P200 HydrophobicContact CD1-CG 3.92Å; P175-P200 HydrophobicContact CB-CG 4.04Å; P175-P200 HydrophobicContact CG-CB 3.8Å; P175-P200 HydrophobicContact CG-CG 3.55Å; F194-P200 HydrophobicContact CB-CB 3.94Å; F194-P200 HydrophobicContact CD2-CB 4.26Å; F194-P200 HydrophobicContact CG-CB 4.01Å; T197-P200 HydrophobicContact CG2-CB 3.94Å; L198-P200 VanDerWaalsContact C-CD 3.42Å; P200-F202 HydrophobicContact CB-CD1 4.49Å; P200-F202 HydrophobicContact CB-CD2 4.38Å; P200-F202 HydrophobicContact CB-CE1 3.9Å; P200-F202 HydrophobicContact CB-CE2 3.81Å; P200-F202 HydrophobicContact CB-CZ 3.54Å; P200-F202 HydrophobicContact CG-CD2 4.3Å; P200-F202 HydrophobicContact CG-CE1 4.16Å; P200-F202 HydrophobicContact CG-CE2 3.38Å; P200-F202 HydrophobicContact CG-CZ 3.28Å | ||
| 201 | F | 97.4 | Very high | 96 | Very high | 117 Ų | 117 | 66.2 Ų | 66.2 | 51% | 0.513 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 93.8 | 171.6 | -167.5 | -97.7 | 0 | 0 | 0 | 109.7 | Q160 F194 N203 | Q160-F201 HydrophobicContact CB-CD2 3.82Å; Q160-F201 HydrophobicContact CB-CE2 4.44Å; Q160-F201 HydrophobicContact CG-CD2 4.42Å; Q160-F201 VanDerWaalsContact OE1-CD2 3.22Å; F194-F201 WeakPolarHBondContact CE1-O 3.16Å; F194-F201 WeakPolarHBondContact CZ-O 3.49Å; F201-N203 HydrophobicContact CD1-CB 4.17Å; F201-N203 HydrophobicContact CE1-CB 3.69Å; F201-N203 HydrophobicContact CZ-CB 4.22Å |
| 202 | F | 97.4 | Very high | 95.6 | Very high | 12 Ų | 12 | 71.1 Ų | 71.1 | 5% | 0.053 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | -56.3 | -174.9 | -58.2 | -75.7 | 0 | 0 | 0 | 111.9 | I158 K159 A161 P175 V177 T191 F194 P200 E204 | I158-F202 HydrophobicContact CG2-CB 4.06Å; I158-F202 HydrophobicContact CG2-CD2 3.68Å; I158-F202 HydrophobicContact CG2-CE2 4.33Å; I158-F202 HydrophobicContact CG2-CG 3.98Å; I158-F202 WeakPolarHBondContact O-CB 3.48Å; K159-F202 PolarHBondContact O-N 3.31Å; A161-F202 HydrophobicContact CB-CE2 4.19Å; P175-F202 HydrophobicContact CB-CZ 4.36Å; V177-F202 HydrophobicContact CG2-CD2 4.32Å; V177-F202 HydrophobicContact CG2-CE1 4.27Å; V177-F202 HydrophobicContact CG2-CE2 3.72Å; V177-F202 HydrophobicContact CG2-CZ 3.69Å; T191-F202 HydrophobicContact CG2-CB 4.42Å; T191-F202 HydrophobicContact CG2-CD1 4.13Å; T191-F202 HydrophobicContact CG2-CG 4.34Å; T191-F202 WeakPolarHBondContact OG1-CD1 2.91Å; T191-F202 WeakPolarHBondContact OG1-CE1 3.42Å; F194-F202 AromaticContact CD2-CD1 3.65Å; F194-F202 HydrophobicContact CD2-CD1 3.65Å; F194-F202 AromaticContact CD2-CE1 3.71Å; F194-F202 HydrophobicContact CD2-CE1 3.71Å; F194-F202 AromaticContact CE2-CD1 3.56Å; F194-F202 HydrophobicContact CE2-CD1 3.56Å; F194-F202 HydrophobicContact CE2-CE1 4.13Å; F194-F202 HydrophobicContact CE2-CG 4.34Å; P200-F202 HydrophobicContact CB-CD1 4.49Å; P200-F202 HydrophobicContact CB-CD2 4.38Å; P200-F202 HydrophobicContact CB-CE1 3.9Å; P200-F202 HydrophobicContact CB-CE2 3.81Å; P200-F202 HydrophobicContact CB-CZ 3.54Å; P200-F202 HydrophobicContact CG-CD2 4.3Å; P200-F202 HydrophobicContact CG-CE1 4.16Å; P200-F202 HydrophobicContact CG-CE2 3.38Å; P200-F202 HydrophobicContact CG-CZ 3.28Å; F202-E204 VanDerWaalsContact C-N 3.32Å; F202-E204 PolarHBondContact O-N 3.12Å |
| 203 | N | 97 | Very high | 95.2 | Very high | 90 Ų | 90 | 68 Ų | 68 | 48% | 0.481 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 47 | 49.2 | -173.3 | -163.8 | 36.1 | 0 | 0 | 0 | 113.9 | I158 K159 F201 | I158-N203 WeakPolarHBondContact O-CA 3.45Å; I158-N203 PolarHBondContact O-N 3.48Å; K159-N203 PolarHBondContact O-N 2.9Å; F201-N203 HydrophobicContact CD1-CB 4.17Å; F201-N203 HydrophobicContact CE1-CB 3.69Å; F201-N203 HydrophobicContact CZ-CB 4.22Å |
| 204 | E | 98.1 | Very high | 94.9 | Very high | 37 Ų | 37 | 66.8 Ų | 66.8 | 17% | 0.173 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 148.6 | 178.6 | -66.4 | -177.9 | -120.3 | 0 | 0 | 110.4 | G157 I158 T191 K192 F202 F206 | G157-E204 CarbonylContact C-O 3.44Å; G157-E204 WeakPolarHBondContact CA-O 3.48Å; I158-E204 PolarHBondContact N-O 2.71Å; I158-E204 PolarHBondContact O-N 3Å; T191-E204 WeakPolarHBondContact CA-OE1 3.28Å; T191-E204 VanDerWaalsContact CB-OE1 3.31Å; T191-E204 WeakPolarHBondContact CB-OE1 3.31Å; T191-E204 HydrophobicContact CG2-CB 4.41Å; K192-E204 WeakPolarHBondContact CB-OE1 3.39Å; K192-E204 PolarHBondContact N-OE1 3.35Å; F202-E204 VanDerWaalsContact C-N 3.32Å; F202-E204 PolarHBondContact O-N 3.12Å; E204-F206 HydrophobicContact CB-CE2 4.33Å; E204-F206 HydrophobicContact CB-CZ 4Å |
| 205 | Q | 97.5 | Very high | 94.6 | Very high | 114 Ų | 114 | 64.1 Ų | 64.1 | 53% | 0.533 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 141.9 | 179.5 | -63 | -175.6 | 17.4 | 0 | 0 | 110.7 | T155 V156 | T155-Q205 HydrophobicContact CG2-CB 4.28Å; V156-Q205 WeakPolarHBondContact O-CA 2.87Å |
| 206 | F | 97.5 | Very high | 94.4 | Very high | 18 Ų | 18 | 62 Ų | 62 | 8% | 0.079 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 132.6 | -176.2 | -55.2 | -64.2 | 0 | 0 | 0 | 110.9 | T155 V156 I158 V179 F189 T191 E204 F208 | T155-F206 CarbonylContact C-O 3.57Å; T155-F206 WeakPolarHBondContact CA-O 3.41Å; V156-F206 PolarHBondContact N-O 2.97Å; V156-F206 PolarHBondContact O-N 2.86Å; I158-F206 HydrophobicContact CG1-CD2 4.22Å; I158-F206 HydrophobicContact CG1-CE2 3.89Å; V179-F206 HydrophobicContact CB-CD2 4.15Å; V179-F206 HydrophobicContact CG2-CD2 3.83Å; V179-F206 HydrophobicContact CG2-CE2 3.87Å; F189-F206 HydrophobicContact CB-CB 4.22Å; F189-F206 HydrophobicContact CB-CD1 3.43Å; F189-F206 VanDerWaalsContact CB-CD1 3.43Å; F189-F206 HydrophobicContact CB-CD2 4.11Å; F189-F206 HydrophobicContact CB-CE1 3.71Å; F189-F206 HydrophobicContact CB-CE2 4.34Å; F189-F206 HydrophobicContact CB-CG 3.64Å; F189-F206 HydrophobicContact CB-CZ 4.15Å; F189-F206 HydrophobicContact CD1-CB 4.49Å; F189-F206 AromaticContact CD1-CD1 3.62Å; F189-F206 HydrophobicContact CD1-CD1 3.62Å; F189-F206 HydrophobicContact CD1-CE1 4.24Å; F189-F206 HydrophobicContact CD1-CG 4.32Å; F189-F206 HydrophobicContact CD2-CB 3.67Å; F189-F206 HydrophobicContact CD2-CD1 4.18Å; F189-F206 HydrophobicContact CD2-CG 4.05Å; F189-F206 HydrophobicContact CE1-CD1 4.27Å; F189-F206 HydrophobicContact CE2-CB 3.91Å; F189-F206 HydrophobicContact CG-CB 3.91Å; F189-F206 AromaticContact CG-CD1 3.51Å; F189-F206 HydrophobicContact CG-CD1 3.51Å; F189-F206 HydrophobicContact CG-CE1 4.21Å; F189-F206 AromaticContact CG-CG 3.79Å; F189-F206 HydrophobicContact CG-CG 3.79Å; F189-F206 HydrophobicContact CZ-CB 4.38Å; T191-F206 HydrophobicContact CG2-CE2 3.88Å; T191-F206 HydrophobicContact CG2-CZ 3.9Å; E204-F206 HydrophobicContact CB-CE2 4.33Å; E204-F206 HydrophobicContact CB-CZ 4Å; F206-F208 HydrophobicContact CB-CE2 4.11Å |
| 207 | T | 96.4 | Very high | 94.3 | Very high | 49 Ų | 49 | 64.8 Ų | 64.8 | 30% | 0.301 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 130.3 | -179.1 | -48.5 | 0 | 0 | 0 | 0 | 111.6 | E153 L154 K187 F189 | E153-T207 HydrophobicContact CB-CG2 3.9Å; E153-T207 HydrophobicContact CG-CG2 3.97Å; L154-T207 WeakPolarHBondContact O-CA 3.49Å; K187-T207 PolarHBondContact NZ-O 3.46Å; F189-T207 WeakPolarHBondContact CE2-O 3.3Å; F189-T207 WeakPolarHBondContact CZ-O 3.36Å |
| 208 | F | 95.9 | Very high | 94.2 | Very high | 10 Ų | 10 | 63.5 Ų | 63.5 | 4% | 0.044 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 132.8 | 176.3 | -62.3 | -93 | 0 | 0 | 0 | 110 | E153 L154 V156 V179 I181 K187 F189 F206 L210 | E153-F208 WeakPolarHBondContact CA-O 3.23Å; L154-F208 HydrophobicContact CB-CB 4.44Å; L154-F208 PolarHBondContact N-O 2.85Å; L154-F208 PolarHBondContact O-N 3.45Å; V156-F208 HydrophobicContact CB-CE2 4.21Å; V156-F208 HydrophobicContact CG2-CD2 3.87Å; V156-F208 HydrophobicContact CG2-CE2 3.72Å; V179-F208 HydrophobicContact CB-CZ 4.44Å; V179-F208 HydrophobicContact CG1-CE2 3.96Å; V179-F208 HydrophobicContact CG1-CZ 3.92Å; I181-F208 HydrophobicContact CD1-CD2 4.23Å; I181-F208 HydrophobicContact CD1-CE2 4.27Å; I181-F208 HydrophobicContact CD1-CG 4.34Å; I181-F208 HydrophobicContact CD1-CZ 4.4Å; I181-F208 HydrophobicContact CG1-CB 4.29Å; I181-F208 HydrophobicContact CG1-CD1 3.7Å; I181-F208 HydrophobicContact CG1-CD2 4.2Å; I181-F208 HydrophobicContact CG1-CE1 3.96Å; I181-F208 HydrophobicContact CG1-CE2 4.44Å; I181-F208 HydrophobicContact CG1-CG 3.81Å; I181-F208 HydrophobicContact CG1-CZ 4.3Å; K187-F208 HydrophobicContact CB-CD1 4.39Å; K187-F208 HydrophobicContact CB-CE1 4.32Å; K187-F208 HydrophobicContact CD-CD1 4.48Å; F189-F208 HydrophobicContact CD2-CD1 4.49Å; F189-F208 AromaticContact CD2-CE1 3.69Å; F189-F208 HydrophobicContact CD2-CE1 3.69Å; F189-F208 AromaticContact CD2-CE2 3.96Å; F189-F208 HydrophobicContact CD2-CE2 3.96Å; F189-F208 AromaticContact CD2-CZ 3.4Å; F189-F208 HydrophobicContact CD2-CZ 3.4Å; F189-F208 HydrophobicContact CE2-CD1 4.1Å; F189-F208 HydrophobicContact CE2-CD2 4.39Å; F189-F208 AromaticContact CE2-CE1 3.74Å; F189-F208 HydrophobicContact CE2-CE1 3.74Å; F189-F208 HydrophobicContact CE2-CE2 4.05Å; F189-F208 HydrophobicContact CE2-CG 4.43Å; F189-F208 AromaticContact CE2-CZ 3.74Å; F189-F208 HydrophobicContact CE2-CZ 3.74Å; F206-F208 HydrophobicContact CB-CE2 4.11Å; F208-L210 PolarHBondContact O-N 3.4Å |
| 209 | Q | 94.3 | Very high | 94.1 | Very high | 130 Ų | 130 | 62.8 Ų | 62.8 | 61% | 0.607 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 114.8 | 169.2 | -67.7 | -63.7 | -23.8 | 0 | 0 | 108.2 | E153 | E153-Q209 PolarHBondContact OE1-NE2 3.36Å |
| 210 | L | 92.2 | Very high | 94.1 | Very high | 19 Ų | 19 | 58.6 Ų | 58.6 | 10% | 0.099 | 30% | 0.298 | C | S | . | . | trans | -148.8 | 114.9 | -173.4 | -167.8 | 63.2 | 0 | 0 | 0 | 110.7 | Y147 S152 L154 I181 F208 A214 L215 L243 | Y147-L210 WeakPolarHBondContact CE2-O 3.46Å; Y147-L210 PolarHBondContact OH-O 2.83Å; S152-L210 CarbonylContact C-O 3.48Å; S152-L210 CarbonylContact O-C 3.58Å; S152-L210 PolarHBondContact O-N 3.12Å; L154-L210 HydrophobicContact CB-CD2 4.44Å; L154-L210 HydrophobicContact CD2-CD2 4.16Å; I181-L210 HydrophobicContact CG2-CD2 4.33Å; F208-L210 PolarHBondContact O-N 3.4Å; L210-A214 HydrophobicContact CD1-CB 3.58Å; L210-A214 HydrophobicContact CG-CB 4.32Å; L210-L215 HydrophobicContact CD2-CB 4.32Å; L210-L215 HydrophobicContact CD2-CD1 3.61Å; L210-L215 HydrophobicContact CG-CB 4.44Å; L210-L215 HydrophobicContact CG-CD1 4.43Å; L210-L243 HydrophobicContact CD2-CD1 3.91Å | ||
| 211 | S | 92.3 | Very high | 94 | Very high | 52 Ų | 52 | 58.5 Ų | 58.5 | 36% | 0.364 | 30% | 0.298 | S | S | . | . | trans | -69.4 | 156.8 | 177.2 | 70.1 | 0 | 0 | 0 | 0 | 111.9 | Y147 S213 A214 L215 | Y147-S211 VanDerWaalsContact OH-C 3.32Å; S211-S213 VanDerWaalsContact C-N 3.25Å; S211-S213 PolarHBondContact O-N 2.99Å; S211-S213 PolarHBondContact OG-OG 3.29Å; S211-A214 PolarHBondContact O-N 3.02Å; S211-A214 VanDerWaalsContact O-N 3.07Å; S211-A214 WeakPolarHBondContact OG-CB 3.33Å; S211-A214 PolarHBondContact OG-N 3.35Å; S211-L215 PolarHBondContact O-N 3.06Å | ||
| 212 | K | 88.8 | Confident | 94 | Very high | 110 Ų | 110 | 52.9 Ų | 52.9 | 48% | 0.478 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -58.4 | -35.8 | -179.9 | -173 | 172 | -177.5 | 165.5 | 0 | 112.9 | Y147 Q248 | Y147-K212 PolarHBondContact OH-N 3.1Å; Y147-K212 VanDerWaalsContact OH-N 3.08Å; K212-Q248 VanDerWaalsContact CE-NE2 3.35Å |
| 213 | S | 90.4 | Very high | 94 | Very high | 85 Ų | 85 | 52.8 Ų | 52.8 | 59% | 0.594 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -71 | -34.9 | 177.2 | 56.4 | 0 | 0 | 0 | 0 | 112.8 | S211 | S211-S213 VanDerWaalsContact C-N 3.25Å; S211-S213 PolarHBondContact O-N 2.99Å; S211-S213 PolarHBondContact OG-OG 3.29Å |
| 214 | A | 89.8 | Confident | 94 | Very high | 33 Ų | 33 | 48.5 Ų | 48.5 | 27% | 0.273 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -72.9 | -38.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | L210 S211 Q216 K217 S218 | L210-A214 HydrophobicContact CD1-CB 3.58Å; L210-A214 HydrophobicContact CG-CB 4.32Å; S211-A214 PolarHBondContact O-N 3.02Å; S211-A214 VanDerWaalsContact O-N 3.07Å; S211-A214 WeakPolarHBondContact OG-CB 3.33Å; S211-A214 PolarHBondContact OG-N 3.35Å; A214-Q216 VanDerWaalsContact C-N 3.28Å; A214-Q216 PolarHBondContact O-N 2.8Å; A214-K217 PolarHBondContact O-N 3.01Å; A214-S218 WeakPolarHBondContact O-CB 3.13Å; A214-S218 PolarHBondContact O-N 3.47Å; A214-S218 PolarHBondContact O-OG 3.46Å |
| 215 | L | 90.9 | Very high | 94 | Very high | 9 Ų | 9 | 48 Ų | 48 | 5% | 0.047 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -51.3 | -45.9 | 178.3 | -172.9 | 77.2 | 0 | 0 | 0 | 111.8 | Y147 L154 L210 S211 K217 S218 L243 | Y147-L215 HydrophobicContact CD1-CD2 3.75Å; Y147-L215 HydrophobicContact CD2-CD1 3.92Å; Y147-L215 HydrophobicContact CD2-CD2 4.07Å; Y147-L215 HydrophobicContact CE1-CD2 3.94Å; Y147-L215 HydrophobicContact CE2-CD1 4.19Å; Y147-L215 HydrophobicContact CE2-CD2 4.26Å; Y147-L215 HydrophobicContact CG-CD1 4.35Å; Y147-L215 HydrophobicContact CG-CD2 3.8Å; L154-L215 HydrophobicContact CD1-CD1 4.34Å; L210-L215 HydrophobicContact CD2-CB 4.32Å; L210-L215 HydrophobicContact CD2-CD1 3.61Å; L210-L215 HydrophobicContact CG-CB 4.44Å; L210-L215 HydrophobicContact CG-CD1 4.43Å; S211-L215 PolarHBondContact O-N 3.06Å; L215-K217 PolarHBondContact O-N 2.86Å; L215-K217 VanDerWaalsContact O-N 3.12Å; L215-S218 PolarHBondContact O-N 3.08Å; L215-S218 VanDerWaalsContact O-N 3.07Å; L215-L243 HydrophobicContact CD1-CB 3.74Å; L215-L243 HydrophobicContact CD1-CD1 4.03Å; L215-L243 HydrophobicContact CD1-CG 4.46Å; L215-L243 HydrophobicContact CG-CB 4.09Å; L215-L243 WeakPolarHBondContact O-CB 3.49Å |
| 216 | Q | 89.3 | Confident | 93.9 | Very high | 127 Ų | 127 | 42.6 Ų | 42.6 | 59% | 0.593 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -22.3 | -178.5 | -70.4 | -174.7 | -25 | 0 | 0 | 114.8 | A214 C244 | A214-Q216 VanDerWaalsContact C-N 3.28Å; A214-Q216 PolarHBondContact O-N 2.8Å; Q216-C244 WeakPolarHBondContact O-CB 3.05Å |
| 217 | K | 90.2 | Very high | 93.7 | Very high | 176 Ų | 176 | 45.1 Ų | 45.1 | 77% | 0.765 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -107.7 | 2.4 | -179 | -59.5 | 178.3 | -176.1 | 177.6 | 0 | 112.3 | A214 L215 | A214-K217 PolarHBondContact O-N 3.01Å; L215-K217 PolarHBondContact O-N 2.86Å; L215-K217 VanDerWaalsContact O-N 3.12Å |
| 218 | S | 92.8 | Very high | 93.5 | Very high | 8 Ų | 8 | 44 Ų | 44 | 6% | 0.056 | 23% | 0.225 | C | C | . | . | trans | -102.7 | 153.7 | -169.5 | -66.8 | 0 | 0 | 0 | 0 | 112.3 | L182 A214 L215 L243 | L182-S218 CarbonylContact O-C 3.44Å; L182-S218 WeakPolarHBondContact O-CA 3.32Å; L182-S218 WeakPolarHBondContact O-CB 3.34Å; A214-S218 WeakPolarHBondContact O-CB 3.13Å; A214-S218 PolarHBondContact O-N 3.47Å; A214-S218 PolarHBondContact O-OG 3.46Å; L215-S218 PolarHBondContact O-N 3.08Å; L215-S218 VanDerWaalsContact O-N 3.07Å; S218-L243 WeakPolarHBondContact O-CB 3.08Å; S218-L243 PolarHBondContact O-N 3.41Å | ||
| 219 | T | 94.6 | Very high | 93.1 | Very high | 32 Ų | 32 | 53.2 Ų | 53.2 | 20% | 0.196 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 124.1 | 175.7 | -62.1 | 0 | 0 | 0 | 0 | 108.6 | I181 L182 V221 R240 V241 | I181-T219 CarbonylContact C-O 3.52Å; I181-T219 WeakPolarHBondContact CA-O 3.25Å; L182-T219 PolarHBondContact N-O 3.07Å; L182-T219 PolarHBondContact O-N 3.4Å; T219-V221 HydrophobicContact CG2-CG2 4.24Å; T219-R240 HydrophobicContact CG2-CB 3.92Å; T219-R240 HydrophobicContact CG2-CG 4.47Å; T219-V241 CarbonylContact C-O 3.56Å; T219-V241 WeakPolarHBondContact CA-O 3.46Å |
| 220 | A | 95.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 129.5 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | L145 I181 M222 R240 V241 L243 | L145-A220 HydrophobicContact CD2-CB 4.5Å; I181-A220 HydrophobicContact CD1-CB 3.81Å; A220-M222 HydrophobicContact CB-CE 4.4Å; A220-R240 WeakPolarHBondContact O-CA 3.43Å; A220-V241 PolarHBondContact N-O 2.79Å; A220-V241 PolarHBondContact O-N 3.16Å; A220-L243 HydrophobicContact CB-CD1 4.42Å; A220-L243 HydrophobicContact CB-CD2 3.72Å; A220-L243 HydrophobicContact CB-CG 4.38Å |
| 221 | V | 96.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 123.1 | 178.5 | -173.1 | 0 | 0 | 0 | 0 | 109.2 | V179 Y180 L182 T219 K223 E238 L239 R240 | V179-V221 WeakPolarHBondContact CA-O 3.37Å; Y180-V221 HydrophobicContact CD2-CB 4Å; Y180-V221 HydrophobicContact CD2-CG2 4.36Å; Y180-V221 HydrophobicContact CE1-CB 4.22Å; Y180-V221 HydrophobicContact CE1-CG1 4.04Å; Y180-V221 HydrophobicContact CE2-CB 3.57Å; Y180-V221 HydrophobicContact CE2-CG1 3.83Å; Y180-V221 HydrophobicContact CE2-CG2 3.88Å; Y180-V221 VanDerWaalsContact CZ-CG1 3.45Å; Y180-V221 PolarHBondContact N-O 2.82Å; Y180-V221 VanDerWaalsContact N-O 3.1Å; Y180-V221 PolarHBondContact O-N 3.41Å; Y180-V221 VanDerWaalsContact OH-CG1 3.25Å; Y180-V221 WeakPolarHBondContact OH-CG1 3.03Å; L182-V221 HydrophobicContact CB-CG2 4.44Å; L182-V221 HydrophobicContact CD1-CG2 3.7Å; L182-V221 HydrophobicContact CG-CG2 3.87Å; T219-V221 HydrophobicContact CG2-CG2 4.24Å; V221-K223 HydrophobicContact CG1-CG 4.09Å; V221-E238 HydrophobicContact CG1-CG 4.14Å; V221-E238 VanDerWaalsContact CG1-OE1 3.22Å; V221-E238 WeakPolarHBondContact CG1-OE1 3.43Å; V221-L239 WeakPolarHBondContact CA-O 3.18Å; V221-R240 HydrophobicContact CG1-CG 4.28Å; V221-R240 HydrophobicContact CG2-CG 4.25Å |
| 222 | M | 97.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 106.6 | 178.8 | -67.5 | 159.5 | -85.7 | 0 | 0 | 108.1 | L141 Y143 V156 I158 V177 K178 V179 A220 L239 V241 | L141-M222 HydrophobicContact CD2-CB 3.88Å; L141-M222 HydrophobicContact CD2-SD 4.2Å; Y143-M222 HydrophobicContact CD2-CE 3.98Å; Y143-M222 HydrophobicContact CD2-SD 4.09Å; Y143-M222 HydrophobicContact CE2-CE 4.35Å; Y143-M222 HydrophobicContact CG-CE 4.15Å; Y143-M222 HydrophobicContact CG-SD 3.92Å; V156-M222 HydrophobicContact CG1-SD 4.27Å; I158-M222 HydrophobicContact CD1-CG 3.81Å; I158-M222 HydrophobicContact CD1-SD 3.78Å; V177-M222 HydrophobicContact CG1-CB 4.18Å; K178-M222 WeakPolarHBondContact O-CA 3.3Å; V179-M222 HydrophobicContact CG1-CG 4.25Å; V179-M222 HydrophobicContact CG2-CG 4.34Å; A220-M222 HydrophobicContact CB-CE 4.4Å; M222-L239 HydrophobicContact CB-CB 4.29Å; M222-L239 HydrophobicContact CE-CD2 3.73Å; M222-L239 HydrophobicContact CE-CG 3.92Å; M222-L239 PolarHBondContact N-O 2.84Å; M222-L239 PolarHBondContact O-N 3.24Å; M222-L239 HydrophobicContact SD-CD2 4.23Å; M222-V241 HydrophobicContact CE-CB 4.39Å; M222-V241 HydrophobicContact CE-CG2 3.66Å |
| 223 | K | 96.9 | Very high | 92.6 | Very high | 9 Ų | 9 | 62.7 Ų | 62.7 | 4% | 0.039 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 121.6 | -179.1 | -78.1 | -174.9 | 177.3 | 176.4 | 0 | 110.7 | V177 K178 Y180 V221 F225 E238 E265 | V177-K223 CarbonylContact C-O 3.38Å; V177-K223 WeakPolarHBondContact CA-O 2.98Å; K178-K223 PolarHBondContact N-O 2.9Å; K178-K223 PolarHBondContact O-N 3.23Å; Y180-K223 HydrophobicContact CE1-CD 4.3Å; Y180-K223 VanDerWaalsContact OH-CD 3.31Å; Y180-K223 WeakPolarHBondContact OH-CD 3.49Å; Y180-K223 WeakPolarHBondContact OH-CE 3.29Å; Y180-K223 PolarHBondContact OH-NZ 3.22Å; Y180-K223 VanDerWaalsContact OH-NZ 3.08Å; V221-K223 HydrophobicContact CG1-CG 4.09Å; K223-F225 HydrophobicContact CB-CD2 4.1Å; K223-F225 HydrophobicContact CB-CE2 3.54Å; K223-F225 HydrophobicContact CB-CZ 4.41Å; K223-F225 HydrophobicContact CD-CE2 4.39Å; K223-F225 WeakPolarHBondContact O-CD2 3.36Å; K223-E238 WeakPolarHBondContact CE-OE1 3.39Å; K223-E238 HydrophobicContact CG-CB 4.07Å; K223-E238 HydrophobicContact CG-CG 3.82Å; K223-E238 IonicContact NZ-OE1 2.63Å; K223-E238 PolarHBondContact NZ-OE1 3.39Å; K223-E265 IonicContact NZ-OE1 3.71Å; K223-E265 PolarHBondContact NZ-OE1 2.85Å; K223-E265 IonicContact NZ-OE2 2.76Å; K223-E265 PolarHBondContact NZ-OE2 3.34Å |
| 224 | V | 97.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 121.2 | 176.8 | -168.8 | 0 | 0 | 0 | 0 | 108.8 | L164 P175 V177 I236 G237 L258 | L164-V224 HydrophobicContact CD1-CG1 4.02Å; L164-V224 HydrophobicContact CD2-CG1 4.18Å; P175-V224 HydrophobicContact CB-CG1 4.39Å; V177-V224 HydrophobicContact CG2-CG2 4.13Å; V224-I236 HydrophobicContact CB-CB 4.34Å; V224-I236 HydrophobicContact CG1-CB 4.26Å; V224-I236 HydrophobicContact CG1-CD1 4.13Å; V224-I236 PolarHBondContact O-N 2.8Å; V224-G237 PolarHBondContact N-O 3.2Å; V224-G237 PolarHBondContact O-N 3.2Å; V224-L258 HydrophobicContact CB-CD1 4.19Å; V224-L258 HydrophobicContact CG2-CD1 3.73Å; V224-L258 HydrophobicContact CG2-CD2 3.79Å; V224-L258 HydrophobicContact CG2-CG 4.45Å |
| 225 | F | 96.9 | Very high | 92.8 | Very high | 28 Ų | 28 | 64.2 Ų | 64.2 | 12% | 0.123 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 150.7 | 179.7 | -75.8 | -97.9 | 0 | 0 | 0 | 110.9 | P175 Y176 K178 K223 H233 E234 I235 | P175-F225 CarbonylContact C-O 3.58Å; P175-F225 VanDerWaalsContact CA-O 3.25Å; P175-F225 WeakPolarHBondContact CA-O 3.27Å; Y176-F225 HydrophobicContact CD1-CB 3.76Å; Y176-F225 HydrophobicContact CE1-CB 3.25Å; Y176-F225 HydrophobicContact CE1-CG 4.16Å; Y176-F225 HydrophobicContact CE2-CB 4.34Å; Y176-F225 HydrophobicContact CG-CB 4.46Å; Y176-F225 PolarHBondContact N-O 3.16Å; Y176-F225 PolarHBondContact O-N 3.21Å; K178-F225 HydrophobicContact CB-CD2 4.37Å; K178-F225 HydrophobicContact CB-CE2 4.03Å; K178-F225 HydrophobicContact CD-CD2 4.17Å; K178-F225 HydrophobicContact CD-CE2 3.65Å; K178-F225 HydrophobicContact CD-CZ 4.15Å; K178-F225 HydrophobicContact CG-CD2 3.76Å; K178-F225 HydrophobicContact CG-CE2 3.62Å; K223-F225 HydrophobicContact CB-CD2 4.1Å; K223-F225 HydrophobicContact CB-CE2 3.54Å; K223-F225 HydrophobicContact CB-CZ 4.41Å; K223-F225 HydrophobicContact CD-CE2 4.39Å; K223-F225 WeakPolarHBondContact O-CD2 3.36Å; F225-H233 HydrophobicContact CD1-CB 4.09Å; F225-E234 CarbonylContact C-O 3.53Å; F225-E234 VanDerWaalsContact CA-O 3.3Å; F225-E234 WeakPolarHBondContact CA-O 3.3Å; F225-I235 HydrophobicContact CD1-CG1 3.75Å; F225-I235 HydrophobicContact CE1-CD1 4.02Å; F225-I235 HydrophobicContact CE1-CG1 3.31Å; F225-I235 HydrophobicContact CE2-CG1 4.48Å; F225-I235 HydrophobicContact CZ-CD1 4.11Å; F225-I235 HydrophobicContact CZ-CG1 3.72Å |
| 226 | D | 95.9 | Very high | 93 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 113.3 | 165.3 | 177 | 49.5 | 0 | 0 | 0 | 109.6 | M167 S173 D174 N228 H233 E234 I236 | M167-D226 HydrophobicContact CB-CB 3.94Å; M167-D226 WeakPolarHBondContact CB-OD2 3.29Å; M167-D226 HydrophobicContact CG-CB 3.98Å; S173-D226 VanDerWaalsContact CA-OD1 3.31Å; S173-D226 WeakPolarHBondContact CA-OD1 3.35Å; S173-D226 VanDerWaalsContact CB-OD1 3.28Å; S173-D226 WeakPolarHBondContact CB-OD1 3.39Å; D174-D226 PolarHBondContact N-OD1 3.41Å; D226-N228 PolarHBondContact O-ND2 3.47Å; D226-N228 PolarHBondContact OD2-ND2 3.39Å; D226-H233 WeakPolarHBondContact O-CA 3.29Å; D226-H233 WeakPolarHBondContact O-CB 3.19Å; D226-E234 PolarHBondContact N-O 2.98Å; D226-E234 PolarHBondContact O-N 2.93Å; D226-I236 HydrophobicContact CB-CD1 4.05Å; D226-I236 HydrophobicContact CB-CG1 4.02Å |
| 227 | F | 94.6 | Very high | 93.3 | Very high | 71 Ų | 71 | 57.7 Ų | 57.7 | 31% | 0.311 | 26% | 0.262 | S | S | . | . | trans | -67.5 | 134.4 | 179.3 | 175.9 | -89.6 | 0 | 0 | 0 | 110.6 | D174 Y176 V193 R229 H233 | D174-F227 HydrophobicContact CB-CB 3.87Å; D174-F227 WeakPolarHBondContact O-CB 2.81Å; D174-F227 PolarHBondContact O-N 3.13Å; Y176-F227 HydrophobicContact CD1-CB 4.04Å; Y176-F227 HydrophobicContact CE1-CB 4.15Å; V193-F227 HydrophobicContact CG1-CB 3.59Å; V193-F227 HydrophobicContact CG1-CD1 4.32Å; V193-F227 HydrophobicContact CG1-CG 3.93Å; V193-F227 HydrophobicContact CG2-CB 4.17Å; V193-F227 HydrophobicContact CG2-CD2 4.02Å; V193-F227 HydrophobicContact CG2-CG 4.17Å; F227-R229 HydrophobicContact CE1-CB 4.38Å; F227-H233 AromaticContact CD2-CE1 3.29Å; F227-H233 WeakPolarHBondContact CD2-CE1 3.43Å; F227-H233 AromaticContact CD2-NE2 3.58Å; F227-H233 AromaticContact CE2-CE1 3.61Å; F227-H233 AromaticContact CE2-NE2 3.66Å | ||
| 228 | N | 90.6 | Very high | 93.5 | Very high | 25 Ų | 25 | 49.6 Ų | 49.6 | 13% | 0.134 | 23% | 0.227 | C | C | . | . | trans | -133.1 | 120 | -177.5 | -87.1 | -91.3 | 0 | 0 | 0 | 110 | D226 F230 T231 H233 | D226-N228 PolarHBondContact O-ND2 3.47Å; D226-N228 PolarHBondContact OD2-ND2 3.39Å; N228-F230 VanDerWaalsContact C-N 3.34Å; N228-F230 PolarHBondContact O-N 3.38Å; N228-T231 WeakPolarHBondContact CB-O 3.04Å; N228-T231 WeakPolarHBondContact CB-OG1 3.49Å; N228-T231 PolarHBondContact OD1-OG1 3.02Å; N228-H233 PolarHBondContact N-CD2 3.39Å; N228-H233 VanDerWaalsContact N-CD2 3.33Å; N228-H233 PolarHBondContact O-CD2 2.83Å; N228-H233 PolarHBondContact O-NE2 2.92Å | ||
| 229 | R | 89.4 | Confident | 93.7 | Very high | 204 Ų | 204 | 49.4 Ų | 49.4 | 77% | 0.77 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -64.8 | -32.8 | -174.6 | -173.8 | 174.9 | -179.5 | 178.7 | 2.2 | 114.4 | F227 | F227-R229 HydrophobicContact CE1-CB 4.38Š|
| 230 | F | 86.5 | Confident | 93.7 | Very high | 177 Ų | 177 | 51.5 Ų | 51.5 | 78% | 0.776 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -123.4 | -3.4 | -170.2 | -55.1 | -65 | 0 | 0 | 0 | 114 | N228 | N228-F230 VanDerWaalsContact C-N 3.34Å; N228-F230 PolarHBondContact O-N 3.38Å |
| 231 | T | 88.8 | Confident | 93.6 | Very high | 86 Ų | 86 | 52.4 Ų | 52.4 | 53% | 0.528 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -133.7 | 165.9 | -175.5 | 41.9 | 0 | 0 | 0 | 0 | 110.4 | N228 H233 | N228-T231 WeakPolarHBondContact CB-O 3.04Å; N228-T231 WeakPolarHBondContact CB-OG1 3.49Å; N228-T231 PolarHBondContact OD1-OG1 3.02Å; T231-H233 PolarHBondContact O-N 2.64Å |
| 232 | K | 87.9 | Confident | 93.5 | Very high | 191 Ų | 191 | 58.7 Ų | 58.7 | 83% | 0.83 | 26% | 0.264 | S | S | * | . | P | Polyproline II helix | trans | -60.5 | 134.5 | 173.4 | -174.2 | -178.7 | 178.1 | -178.9 | 0 | 109 | ||
| 233 | H | 92.3 | Very high | 93.2 | Very high | 55 Ų | 55 | 58.7 Ų | 58.7 | 26% | 0.255 | 26% | 0.264 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 137.9 | 177 | -56.6 | -178.6 | 0 | 0 | 0 | 110.1 | Y176 F225 D226 F227 N228 T231 | Y176-H233 AromaticContact CE1-ND1 3.49Å; Y176-H233 WeakPolarHBondContact CE1-ND1 3.16Å; Y176-H233 AromaticContact CZ-ND1 3.53Å; Y176-H233 PolarHBondContact OH-ND1 3.39Å; F225-H233 HydrophobicContact CD1-CB 4.09Å; D226-H233 WeakPolarHBondContact O-CA 3.29Å; D226-H233 WeakPolarHBondContact O-CB 3.19Å; F227-H233 AromaticContact CD2-CE1 3.29Å; F227-H233 WeakPolarHBondContact CD2-CE1 3.43Å; F227-H233 AromaticContact CD2-NE2 3.58Å; F227-H233 AromaticContact CE2-CE1 3.61Å; F227-H233 AromaticContact CE2-NE2 3.66Å; N228-H233 PolarHBondContact N-CD2 3.39Å; N228-H233 VanDerWaalsContact N-CD2 3.33Å; N228-H233 PolarHBondContact O-CD2 2.83Å; N228-H233 PolarHBondContact O-NE2 2.92Å; T231-H233 PolarHBondContact O-N 2.64Å |
| 234 | E | 91.6 | Very high | 92.8 | Very high | 95 Ų | 95 | 60.8 Ų | 60.8 | 44% | 0.444 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 145.7 | -178.2 | -59.8 | -161.1 | 159.6 | 0 | 0 | 110.4 | M167 F225 D226 | M167-E234 HydrophobicContact CE-CB 4.01Å; M167-E234 WeakPolarHBondContact CE-OE2 3.47Å; F225-E234 CarbonylContact C-O 3.53Å; F225-E234 VanDerWaalsContact CA-O 3.3Å; F225-E234 WeakPolarHBondContact CA-O 3.3Å; D226-E234 PolarHBondContact N-O 2.98Å; D226-E234 PolarHBondContact O-N 2.93Å |
| 235 | I | 93.9 | Very high | 91.9 | Very high | 55 Ų | 55 | 66.9 Ų | 66.9 | 28% | 0.282 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 116.7 | 177.7 | -57.9 | 165.5 | 0 | 0 | 0 | 108.5 | F225 P261 | F225-I235 HydrophobicContact CD1-CG1 3.75Å; F225-I235 HydrophobicContact CE1-CD1 4.02Å; F225-I235 HydrophobicContact CE1-CG1 3.31Å; F225-I235 HydrophobicContact CE2-CG1 4.48Å; F225-I235 HydrophobicContact CZ-CD1 4.11Å; F225-I235 HydrophobicContact CZ-CG1 3.72Å; I235-P261 HydrophobicContact CB-CB 4.28Å; I235-P261 HydrophobicContact CB-CG 4.13Å; I235-P261 HydrophobicContact CD1-CB 4.22Å; I235-P261 HydrophobicContact CG2-CB 3.69Å; I235-P261 HydrophobicContact CG2-CG 3.85Å |
| 236 | I | 94.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | -48.9 | 175.4 | -62.8 | 177.2 | 0 | 0 | 0 | 109.2 | R138 L164 K165 M167 P175 V224 D226 | R138-I236 VanDerWaalsContact CD-O 3.29Å; R138-I236 WeakPolarHBondContact CD-O 3.35Å; R138-I236 WeakPolarHBondContact CG-O 3.45Å; R138-I236 PolarHBondContact NH1-O 3.3Å; L164-I236 HydrophobicContact CB-CG2 4.36Å; L164-I236 HydrophobicContact CD1-CD1 4.37Å; L164-I236 HydrophobicContact CD2-CG2 4.25Å; K165-I236 HydrophobicContact CB-CG2 4.08Å; M167-I236 HydrophobicContact CG-CD1 4.46Å; M167-I236 HydrophobicContact CG-CG1 3.72Å; P175-I236 HydrophobicContact CB-CD1 4.39Å; V224-I236 HydrophobicContact CB-CB 4.34Å; V224-I236 HydrophobicContact CG1-CB 4.26Å; V224-I236 HydrophobicContact CG1-CD1 4.13Å; V224-I236 PolarHBondContact O-N 2.8Å; D226-I236 HydrophobicContact CB-CD1 4.05Å; D226-I236 HydrophobicContact CB-CG1 4.02Å |
| 237 | G | 95.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -173.1 | 171.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | V224 A259 | V224-G237 PolarHBondContact N-O 3.2Å; V224-G237 PolarHBondContact O-N 3.2Å; G237-A259 WeakPolarHBondContact CA-O 3.44Å |
| 238 | E | 95.4 | Very high | 89.1 | Confident | 5 Ų | 5 | 72.3 Ų | 72.3 | 2% | 0.023 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 140.8 | -177.8 | 175.7 | 176.2 | -151.6 | 0 | 0 | 110.1 | V221 K223 R240 A259 P261 A262 | V221-E238 HydrophobicContact CG1-CG 4.14Å; V221-E238 VanDerWaalsContact CG1-OE1 3.22Å; V221-E238 WeakPolarHBondContact CG1-OE1 3.43Å; K223-E238 WeakPolarHBondContact CE-OE1 3.39Å; K223-E238 HydrophobicContact CG-CB 4.07Å; K223-E238 HydrophobicContact CG-CG 3.82Å; K223-E238 IonicContact NZ-OE1 2.63Å; K223-E238 PolarHBondContact NZ-OE1 3.39Å; E238-R240 VanDerWaalsContact CD-NE 3.31Å; E238-R240 HydrophobicContact CG-CG 4.08Å; E238-R240 IonicContact OE1-CZ 3.69Å; E238-R240 IonicContact OE1-NE 2.68Å; E238-R240 PolarHBondContact OE1-NE 3.38Å; E238-R240 IonicContact OE1-NH2 3.67Å; E238-R240 PolarHBondContact OE1-NH2 2.83Å; E238-R240 IonicContact OE2-NE 3.11Å; E238-A259 PolarHBondContact N-O 3.34Å; E238-A259 WeakPolarHBondContact O-CB 3.4Å; E238-A259 PolarHBondContact O-N 3.05Å; E238-P261 HydrophobicContact CB-CB 4.46Å; E238-P261 WeakPolarHBondContact OE2-CA 3.47Å; E238-A262 PolarHBondContact OE2-N 2.73Å |
| 239 | L | 95.5 | Very high | 88.1 | Confident | 5 Ų | 5 | 78.2 Ų | 78.2 | 3% | 0.026 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 134.5 | 168.3 | 174.9 | 60.4 | 0 | 0 | 0 | 110.1 | L141 Y143 V221 M222 V241 Q256 L258 | L141-L239 HydrophobicContact CD2-CD2 4.35Å; Y143-L239 HydrophobicContact CD1-CD2 3.52Å; Y143-L239 HydrophobicContact CE1-CD2 3.71Å; Y143-L239 HydrophobicContact CG-CD2 4.2Å; V221-L239 WeakPolarHBondContact CA-O 3.18Å; M222-L239 HydrophobicContact CB-CB 4.29Å; M222-L239 HydrophobicContact CE-CD2 3.73Å; M222-L239 HydrophobicContact CE-CG 3.92Å; M222-L239 PolarHBondContact N-O 2.84Å; M222-L239 PolarHBondContact O-N 3.24Å; M222-L239 HydrophobicContact SD-CD2 4.23Å; L239-V241 HydrophobicContact CD1-CG2 4.17Å; L239-V241 HydrophobicContact CD2-CG2 4.23Å; L239-V241 HydrophobicContact CG-CG2 4Å; L239-Q256 HydrophobicContact CD1-CB 3.9Å; L239-Q256 HydrophobicContact CD1-CG 3.59Å; L239-Q256 HydrophobicContact CD2-CB 4Å; L239-L258 HydrophobicContact CB-CD2 4.1Å |
| 240 | R | 94.7 | Very high | 87.5 | Confident | 76 Ų | 76 | 75.2 Ų | 75.2 | 29% | 0.287 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 122.7 | 177.7 | -67.5 | -175 | 172.8 | -110.8 | -14.1 | 109.2 | L182 T219 A220 V221 E238 E265 | L182-R240 VanDerWaalsContact CD1-NH1 3.27Å; T219-R240 HydrophobicContact CG2-CB 3.92Å; T219-R240 HydrophobicContact CG2-CG 4.47Å; A220-R240 WeakPolarHBondContact O-CA 3.43Å; V221-R240 HydrophobicContact CG1-CG 4.28Å; V221-R240 HydrophobicContact CG2-CG 4.25Å; E238-R240 VanDerWaalsContact CD-NE 3.31Å; E238-R240 HydrophobicContact CG-CG 4.08Å; E238-R240 IonicContact OE1-CZ 3.69Å; E238-R240 IonicContact OE1-NE 2.68Å; E238-R240 PolarHBondContact OE1-NE 3.38Å; E238-R240 IonicContact OE1-NH2 3.67Å; E238-R240 PolarHBondContact OE1-NH2 2.83Å; E238-R240 IonicContact OE2-NE 3.11Å; R240-E265 IonicContact NH2-OE2 2.71Å; R240-E265 PolarHBondContact NH2-OE2 2.91Å |
| 241 | V | 93.8 | Very high | 87.5 | Confident | 18 Ų | 18 | 70.2 Ų | 70.2 | 11% | 0.109 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 118.7 | -178.3 | -175 | 0 | 0 | 0 | 0 | 108.7 | Y143 L145 T219 A220 M222 L239 L243 | Y143-V241 HydrophobicContact CE1-CG2 4.28Å; Y143-V241 HydrophobicContact CE2-CG1 4.42Å; Y143-V241 HydrophobicContact CE2-CG2 3.93Å; Y143-V241 WeakPolarHBondContact OH-CG2 3.41Å; L145-V241 HydrophobicContact CD1-CB 4.26Å; L145-V241 HydrophobicContact CD1-CG1 3.77Å; T219-V241 CarbonylContact C-O 3.56Å; T219-V241 WeakPolarHBondContact CA-O 3.46Å; A220-V241 PolarHBondContact N-O 2.79Å; A220-V241 PolarHBondContact O-N 3.16Å; M222-V241 HydrophobicContact CE-CB 4.39Å; M222-V241 HydrophobicContact CE-CG2 3.66Å; L239-V241 HydrophobicContact CD1-CG2 4.17Å; L239-V241 HydrophobicContact CD2-CG2 4.23Å; L239-V241 HydrophobicContact CG-CG2 4Å; V241-L243 PolarHBondContact O-N 3.46Å |
| 242 | Q | 93.7 | Very high | 87.6 | Confident | 132 Ų | 132 | 68.1 Ų | 68.1 | 62% | 0.617 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 129.4 | 174.6 | -65.7 | -174.4 | 34.5 | 0 | 0 | 109.2 | C244 | Q242-C244 VanDerWaalsContact C-N 3.33Å |
| 243 | L | 92.2 | Very high | 87.9 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -88 | -3.8 | -172.3 | -55.2 | 178.4 | 0 | 0 | 0 | 113.3 | L145 L154 I181 L210 L215 S218 A220 V241 N245 I246 | L145-L243 HydrophobicContact CD1-CD2 3.93Å; L154-L243 HydrophobicContact CD2-CD1 3.62Å; L154-L243 HydrophobicContact CD2-CD2 4.25Å; I181-L243 HydrophobicContact CD1-CD1 4.29Å; I181-L243 HydrophobicContact CG2-CD1 4.17Å; L210-L243 HydrophobicContact CD2-CD1 3.91Å; L215-L243 HydrophobicContact CD1-CB 3.74Å; L215-L243 HydrophobicContact CD1-CD1 4.03Å; L215-L243 HydrophobicContact CD1-CG 4.46Å; L215-L243 HydrophobicContact CG-CB 4.09Å; L215-L243 WeakPolarHBondContact O-CB 3.49Å; S218-L243 WeakPolarHBondContact O-CB 3.08Å; S218-L243 PolarHBondContact O-N 3.41Å; A220-L243 HydrophobicContact CB-CD1 4.42Å; A220-L243 HydrophobicContact CB-CD2 3.72Å; A220-L243 HydrophobicContact CB-CG 4.38Å; V241-L243 PolarHBondContact O-N 3.46Å; L243-N245 PolarHBondContact O-N 3.33Å; L243-I246 HydrophobicContact CB-CD1 4Å; L243-I246 HydrophobicContact CD2-CD1 3.4Å; L243-I246 VanDerWaalsContact CD2-CD1 3.4Å; L243-I246 HydrophobicContact CG-CD1 4.3Å; L243-I246 PolarHBondContact O-N 3.32Å |
| 244 | C | 87.6 | Confident | 88 | Confident | 53 Ų | 53 | 65.8 Ų | 65.8 | 36% | 0.358 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -62.8 | -25.2 | 178.5 | 54.2 | 0 | 0 | 0 | 0 | 114 | Q216 Q242 | Q216-C244 WeakPolarHBondContact O-CB 3.05Å; Q242-C244 VanDerWaalsContact C-N 3.33Å |
| 245 | N | 78.1 | Confident | 88.3 | Confident | 129 Ų | 129 | 66.7 Ų | 66.7 | 69% | 0.69 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -98.6 | 10.7 | -175.1 | -62.2 | -15.5 | 0 | 0 | 0 | 113.2 | L243 D247 | L243-N245 PolarHBondContact O-N 3.33Å; N245-D247 PolarHBondContact O-N 3.02Å |
| 246 | I | 82.6 | Confident | 88.4 | Confident | 13 Ų | 13 | 67.2 Ų | 67.2 | 7% | 0.067 | 33% | 0.331 | C | S | . | . | trans | -82.2 | 116.1 | -178.8 | -58.7 | -179.3 | 0 | 0 | 0 | 109.7 | L145 L154 L243 I252 | L145-I246 HydrophobicContact CB-CD1 4.02Å; L145-I246 HydrophobicContact CD1-CD1 3.75Å; L145-I246 HydrophobicContact CG-CD1 4.44Å; L154-I246 HydrophobicContact CD1-CD1 4.18Å; L243-I246 HydrophobicContact CB-CD1 4Å; L243-I246 HydrophobicContact CD2-CD1 3.4Å; L243-I246 VanDerWaalsContact CD2-CD1 3.4Å; L243-I246 HydrophobicContact CG-CD1 4.3Å; L243-I246 PolarHBondContact O-N 3.32Å; I246-I252 HydrophobicContact CB-CD1 4.31Å; I246-I252 HydrophobicContact CG1-CD1 3.87Å; I246-I252 HydrophobicContact CG2-CD1 4.21Å | ||
| 247 | D | 76.5 | Confident | 88.5 | Confident | 121 Ų | 121 | 71.2 Ų | 71.2 | 65% | 0.647 | 35% | 0.353 | S | S | * | . | trans | -71 | 132.4 | 172.5 | -71.7 | -34.5 | 0 | 0 | 0 | 110.7 | N245 N249 H250 | N245-D247 PolarHBondContact O-N 3.02Å; D247-N249 PolarHBondContact O-N 3.45Å; D247-H250 PolarHBondContact O-N 3.34Å | ||
| 248 | Q | 69.4 | Low | 88.6 | Confident | 78 Ų | 78 | 71.8 Ų | 71.8 | 36% | 0.364 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -11 | -174 | -52.5 | -167.1 | -65.3 | 0 | 0 | 113.8 | K212 | K212-Q248 VanDerWaalsContact CE-NE2 3.35Š|
| 249 | N | 69.7 | Low | 88.5 | Confident | 150 Ų | 150 | 74.3 Ų | 74.3 | 80% | 0.802 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.5 | 8.6 | -172.8 | -68.5 | 1.1 | 0 | 0 | 0 | 113.2 | D247 | D247-N249 PolarHBondContact O-N 3.45Š|
| 250 | H | 77.9 | Confident | 88.3 | Confident | 141 Ų | 141 | 81.4 Ų | 81.4 | 65% | 0.653 | 41% | 0.408 | S | S | * | . | trans | -135.1 | 136 | 178.8 | -103.3 | 61 | 0 | 0 | 0 | 111.4 | D247 I252 | D247-H250 PolarHBondContact O-N 3.34Å; H250-I252 PolarHBondContact O-N 3.31Å | ||
| 251 | V | 85.5 | Confident | 88 | Confident | 71 Ų | 71 | 79.1 Ų | 79.1 | 43% | 0.43 | 40% | 0.403 | S | S | . | . | trans | -78.6 | 116.9 | 165.3 | -177.2 | 0 | 0 | 0 | 0 | 106.8 | E146 | E146-V251 HydrophobicContact CB-CG1 4.48Å; E146-V251 HydrophobicContact CB-CG2 4.13Å; E146-V251 HydrophobicContact CG-CG2 3.93Å | ||
| 252 | I | 90.9 | Very high | 87.6 | Confident | 43 Ų | 43 | 80.2 Ų | 80.2 | 22% | 0.221 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 126.7 | 168.4 | -61.6 | 170.8 | 0 | 0 | 0 | 106.1 | S144 L145 I246 H250 E254 | S144-I252 CarbonylContact C-O 3.4Å; S144-I252 WeakPolarHBondContact CA-O 3.41Å; S144-I252 WeakPolarHBondContact CB-O 3.39Å; L145-I252 HydrophobicContact CB-CB 4.38Å; L145-I252 PolarHBondContact N-O 2.8Å; L145-I252 PolarHBondContact O-N 2.79Å; I246-I252 HydrophobicContact CB-CD1 4.31Å; I246-I252 HydrophobicContact CG1-CD1 3.87Å; I246-I252 HydrophobicContact CG2-CD1 4.21Å; H250-I252 PolarHBondContact O-N 3.31Å; I252-E254 HydrophobicContact CG2-CG 4.08Å |
| 253 | E | 94.8 | Very high | 86.9 | Confident | 110 Ų | 110 | 82.9 Ų | 82.9 | 51% | 0.514 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 108.5 | 169.5 | -175.2 | 172.1 | 112.6 | 0 | 0 | 108.5 | L142 Y143 K159 | L142-E253 HydrophobicContact CD1-CG 3.98Å; L142-E253 HydrophobicContact CG-CG 4.5Å; Y143-E253 WeakPolarHBondContact O-CA 3.25Å; K159-E253 VanDerWaalsContact CE-OE2 3.26Å; K159-E253 WeakPolarHBondContact CE-OE2 3.37Å; K159-E253 IonicContact NZ-OE2 2.92Å |
| 254 | E | 95 | Very high | 86.2 | Confident | 87 Ų | 87 | 86.3 Ų | 86.3 | 41% | 0.407 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 155.2 | -172.9 | 65.9 | 174.8 | -161.7 | 0 | 0 | 113.2 | L142 Y143 I252 | L142-E254 VanDerWaalsContact CD1-C 3.46Å; L142-E254 WeakPolarHBondContact CD1-O 3.39Å; Y143-E254 HydrophobicContact CD1-CG 4.46Å; Y143-E254 WeakPolarHBondContact CD1-O 3.19Å; Y143-E254 HydrophobicContact CE1-CG 3.57Å; Y143-E254 PolarHBondContact N-O 2.94Å; Y143-E254 PolarHBondContact O-N 3.01Å; Y143-E254 PolarHBondContact OH-OE1 3.13Å; I252-E254 HydrophobicContact CG2-CG 4.08Å |
| 255 | W | 97.4 | Very high | 85.6 | Confident | 113 Ų | 113 | 85.5 Ų | 85.5 | 43% | 0.428 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 131.3 | 172 | -78.6 | 102.9 | 0 | 0 | 0 | 110.6 | K140 L142 Q160 D162 | K140-W255 HydrophobicContact CB-CE3 3.68Å; K140-W255 HydrophobicContact CB-CZ3 4.06Å; L142-W255 HydrophobicContact CB-CD2 3.76Å; L142-W255 HydrophobicContact CB-CE3 3.78Å; L142-W255 HydrophobicContact CB-CG 4.48Å; L142-W255 HydrophobicContact CB-CH2 3.92Å; L142-W255 HydrophobicContact CB-CZ2 3.89Å; L142-W255 HydrophobicContact CB-CZ3 3.85Å; L142-W255 HydrophobicContact CD1-CD2 4.21Å; L142-W255 HydrophobicContact CD1-CG 4.1Å; L142-W255 HydrophobicContact CD2-CZ2 4.19Å; L142-W255 HydrophobicContact CG-CD2 4.46Å; Q160-W255 HydrophobicContact CG-CH2 3.71Å; Q160-W255 HydrophobicContact CG-CZ2 3.95Å; Q160-W255 VanDerWaalsContact NE2-CZ2 3.27Å; D162-W255 HydrophobicContact CB-CH2 3.61Å; D162-W255 HydrophobicContact CB-CZ3 3.71Å |
| 256 | Q | 96.3 | Very high | 85.3 | Confident | 66 Ų | 66 | 86.6 Ų | 86.6 | 31% | 0.308 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 139.9 | 175.2 | -158.4 | 167.6 | 5.9 | 0 | 0 | 112.5 | K140 L141 Y143 L239 | K140-Q256 CarbonylContact C-O 3.49Å; K140-Q256 VanDerWaalsContact CA-O 3.26Å; K140-Q256 WeakPolarHBondContact CA-O 3.41Å; L141-Q256 PolarHBondContact N-O 3.14Å; L141-Q256 PolarHBondContact O-N 2.81Å; Y143-Q256 HydrophobicContact CE1-CB 4.08Å; L239-Q256 HydrophobicContact CD1-CB 3.9Å; L239-Q256 HydrophobicContact CD1-CG 3.59Å; L239-Q256 HydrophobicContact CD2-CB 4Å |
| 257 | D | 96.7 | Very high | 85.2 | Confident | 85 Ų | 85 | 88.1 Ų | 88.1 | 46% | 0.455 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 135.8 | 178.8 | -67.6 | -41.3 | 0 | 0 | 0 | 110.9 | K140 A259 | K140-D257 WeakPolarHBondContact CD-OD1 3.4Å; K140-D257 WeakPolarHBondContact CE-OD1 3.41Å; K140-D257 WeakPolarHBondContact CG-OD1 3.39Å; K140-D257 IonicContact NZ-OD1 2.77Å; K140-D257 PolarHBondContact NZ-OD1 2.62Å; K140-D257 IonicContact NZ-OD2 3.5Å; D257-A259 PolarHBondContact O-N 3.02Å |
| 258 | L | 96.4 | Very high | 85.7 | Confident | 11 Ų | 11 | 86.3 Ų | 86.3 | 6% | 0.058 | 43% | 0.427 | C | S | . | . | P | Polyproline II helix | trans | -73.9 | 126.1 | 176 | -67.1 | 173.5 | 0 | 0 | 0 | 110.7 | R138 G139 L141 L164 V224 L239 | R138-L258 HydrophobicContact CB-CB 3.98Å; G139-L258 WeakPolarHBondContact O-CB 3.2Å; G139-L258 PolarHBondContact O-N 2.7Å; L141-L258 HydrophobicContact CB-CD2 4.08Å; L164-L258 HydrophobicContact CD2-CD1 3.48Å; L164-L258 VanDerWaalsContact CD2-CD1 3.48Å; V224-L258 HydrophobicContact CB-CD1 4.19Å; V224-L258 HydrophobicContact CG2-CD1 3.73Å; V224-L258 HydrophobicContact CG2-CD2 3.79Å; V224-L258 HydrophobicContact CG2-CG 4.45Å; L239-L258 HydrophobicContact CB-CD2 4.1Å |
| 259 | A | 94.5 | Very high | 86.7 | Confident | 58 Ų | 58 | 83 Ų | 83 | 48% | 0.479 | 41% | 0.412 | S | S | . | . | B | Isolated β-bridge | trans | -82.8 | 168.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | G237 E238 D257 | G237-A259 WeakPolarHBondContact CA-O 3.44Å; E238-A259 PolarHBondContact N-O 3.34Å; E238-A259 WeakPolarHBondContact O-CB 3.4Å; E238-A259 PolarHBondContact O-N 3.05Å; D257-A259 PolarHBondContact O-N 3.02Å |
| 260 | K | 91.5 | Very high | 87.9 | Confident | 154 Ų | 154 | 75.9 Ų | 75.9 | 67% | 0.67 | 37% | 0.374 | S | S | * | . | P | Polyproline II helix | trans | -64.5 | 135.1 | 168.3 | -173.8 | 178.5 | -178.5 | 175.9 | 0 | 108.7 | A262 | K260-A262 PolarHBondContact O-N 3.31Š|
| 261 | P | 87.5 | Confident | 88.8 | Confident | 29 Ų | 29 | 71.6 Ų | 71.6 | 19% | 0.188 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -61.3 | 136.6 | -179.9 | 24.2 | -34.2 | 0 | 0 | 0 | 111.6 | I235 E238 K263 | I235-P261 HydrophobicContact CB-CB 4.28Å; I235-P261 HydrophobicContact CB-CG 4.13Å; I235-P261 HydrophobicContact CD1-CB 4.22Å; I235-P261 HydrophobicContact CG2-CB 3.69Å; I235-P261 HydrophobicContact CG2-CG 3.85Å; E238-P261 HydrophobicContact CB-CB 4.46Å; E238-P261 WeakPolarHBondContact OE2-CA 3.47Å; P261-K263 PolarHBondContact O-N 3.41Å |
| 262 | A | 84.7 | Confident | 89.4 | Confident | 41 Ų | 41 | 68.2 Ų | 68.2 | 34% | 0.339 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -56.3 | 135.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | E238 K260 F264 | E238-A262 PolarHBondContact OE2-N 2.73Å; K260-A262 PolarHBondContact O-N 3.31Å; A262-F264 WeakPolarHBondContact CB-O 3.41Å; A262-F264 PolarHBondContact O-N 3.31Å |
| 263 | K | 78.9 | Confident | 89.8 | Confident | 187 Ų | 187 | 66.6 Ų | 66.6 | 81% | 0.813 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -62.3 | -30.1 | 179 | -73.3 | -176.9 | -179.6 | 174.1 | 0 | 111.8 | P261 | P261-K263 PolarHBondContact O-N 3.41Š|
| 264 | F | 77.8 | Confident | 90 | Very high | 73 Ų | 73 | 61.4 Ų | 61.4 | 32% | 0.32 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -143.5 | 151.8 | -177.9 | -53.2 | -74.1 | 0 | 0 | 0 | 109.5 | A262 E407 Q408 A411 | A262-F264 WeakPolarHBondContact CB-O 3.41Å; A262-F264 PolarHBondContact O-N 3.31Å; F264-E407 HydrophobicContact CE1-CB 4.28Å; F264-Q408 HydrophobicContact CB-CG 3.4Å; F264-Q408 HydrophobicContact CD1-CB 4.3Å; F264-Q408 HydrophobicContact CD1-CG 3.35Å; F264-Q408 HydrophobicContact CD2-CG 3.5Å; F264-Q408 HydrophobicContact CE1-CB 4.39Å; F264-Q408 HydrophobicContact CE1-CG 3.87Å; F264-Q408 HydrophobicContact CE2-CG 4.01Å; F264-Q408 HydrophobicContact CG-CB 4.37Å; F264-Q408 HydrophobicContact CG-CG 3.12Å; F264-Q408 HydrophobicContact CZ-CG 4.18Å; F264-A411 HydrophobicContact CZ-CB 3.91Å |
| 265 | E | 74.8 | Confident | 90.1 | Very high | 36 Ų | 36 | 57.8 Ų | 57.8 | 17% | 0.168 | 29% | 0.286 | C | S | . | . | trans | -84.7 | 139.4 | 174.4 | -54.4 | -79.9 | -168.4 | 0 | 0 | 109.8 | Y180 K185 K223 R240 E267 | Y180-E265 PolarHBondContact OH-OE1 3.16Å; Y180-E265 PolarHBondContact OH-OE2 3.24Å; K185-E265 IonicContact NZ-OE1 3.22Å; K223-E265 IonicContact NZ-OE1 3.71Å; K223-E265 PolarHBondContact NZ-OE1 2.85Å; K223-E265 IonicContact NZ-OE2 2.76Å; K223-E265 PolarHBondContact NZ-OE2 3.34Å; R240-E265 IonicContact NH2-OE2 2.71Å; R240-E265 PolarHBondContact NH2-OE2 2.91Å; E265-E267 VanDerWaalsContact C-N 3.28Å; E265-E267 HydrophobicContact CB-CG 3.92Å; E265-E267 PolarHBondContact O-N 3.45Å | ||
| 266 | E | 72.6 | Confident | 90.2 | Very high | 152 Ų | 152 | 52.4 Ų | 52.4 | 71% | 0.71 | 27% | 0.266 | S | S | * | . | trans | -86.8 | 74.5 | 168 | -68.4 | 172.5 | -167.3 | 0 | 0 | 108.4 | ||||
| 267 | E | 81 | Confident | 90.3 | Very high | 45 Ų | 45 | 50.1 Ų | 50.1 | 21% | 0.21 | 26% | 0.257 | C | S | . | . | trans | -83.4 | 143.2 | 171.3 | -67.4 | -179.9 | -155.7 | 0 | 0 | 109.5 | L182 K185 E265 L269 K296 | L182-E267 HydrophobicContact CD2-CG 4.1Å; K185-E267 HydrophobicContact CB-CG 4.42Å; K185-E267 HydrophobicContact CD-CG 4.09Å; K185-E267 WeakPolarHBondContact CD-OE1 3.09Å; K185-E267 IonicContact NZ-OE1 3.94Å; K185-E267 PolarHBondContact NZ-OE1 3.39Å; E265-E267 VanDerWaalsContact C-N 3.28Å; E265-E267 HydrophobicContact CB-CG 3.92Å; E265-E267 PolarHBondContact O-N 3.45Å; E267-L269 HydrophobicContact CB-CD2 4.01Å; E267-L269 HydrophobicContact CB-CG 4.32Å; E267-L269 PolarHBondContact O-N 3.31Å; E267-K296 IonicContact OE2-NZ 3.48Å; E267-K296 PolarHBondContact OE2-NZ 2.79Å | ||
| 268 | N | 86.1 | Confident | 90.3 | Very high | 82 Ų | 82 | 46.2 Ų | 46.2 | 44% | 0.439 | 24% | 0.236 | S | C | . | . | trans | -78.6 | 103.2 | 168.5 | -176.9 | 11.8 | 0 | 0 | 0 | 109 | P183 G270 | P183-N268 HydrophobicContact CB-CB 3.59Å; P183-N268 HydrophobicContact CG-CB 4.32Å; N268-G270 PolarHBondContact OD1-N 3.19Å | ||
| 269 | L | 91.9 | Very high | 90.3 | Very high | 9 Ų | 9 | 47.3 Ų | 47.3 | 5% | 0.047 | 24% | 0.243 | C | C | . | . | trans | -94.5 | 1.1 | 178.6 | -57.5 | 175.8 | 0 | 0 | 0 | 112.4 | E267 K296 L403 | E267-L269 HydrophobicContact CB-CD2 4.01Å; E267-L269 HydrophobicContact CB-CG 4.32Å; E267-L269 PolarHBondContact O-N 3.31Å; L269-K296 HydrophobicContact CD2-CD 3.79Å; L269-L403 HydrophobicContact CB-CB 3.8Å; L269-L403 VanDerWaalsContact O-CD1 3.3Å; L269-L403 WeakPolarHBondContact O-CD1 3.48Å | ||
| 270 | G | 93.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.236 | C | C | . | . | trans | 93.1 | 179 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | N268 K293 D294 L403 | N268-G270 PolarHBondContact OD1-N 3.19Å; G270-K293 WeakPolarHBondContact CA-O 3.41Å; G270-D294 WeakPolarHBondContact CA-O 3.35Å; G270-D294 PolarHBondContact N-O 3.13Å; G270-L403 VanDerWaalsContact O-CB 3.3Å; G270-L403 WeakPolarHBondContact O-CB 3.43Å; G270-L403 WeakPolarHBondContact O-CG 3.3Å; G270-L403 PolarHBondContact O-N 3.35Å | ||
| 271 | E | 96.8 | Very high | 90.4 | Very high | 51 Ų | 51 | 47 Ų | 47 | 24% | 0.238 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 149.2 | -179.5 | -51.8 | -163.9 | 106 | 0 | 0 | 110.8 | A292 K293 W400 H401 S402 | E271-A292 CarbonylContact O-C 3.59Å; E271-A292 WeakPolarHBondContact O-CA 3.44Å; E271-A292 VanDerWaalsContact O-CB 3.29Å; E271-A292 WeakPolarHBondContact O-CB 3.46Å; E271-K293 HydrophobicContact CB-CG 4.22Å; E271-K293 PolarHBondContact N-O 3.08Å; E271-K293 PolarHBondContact O-N 2.96Å; E271-K293 WeakPolarHBondContact OE2-CE 3.34Å; E271-K293 IonicContact OE2-NZ 2.95Å; E271-K293 PolarHBondContact OE2-NZ 2.87Å; E271-W400 HydrophobicContact CB-CE3 3.82Å; E271-W400 HydrophobicContact CB-CZ3 4.16Å; E271-H401 WeakPolarHBondContact CA-O 3.28Å; E271-S402 PolarHBondContact OE1-OG 3.23Å; E271-S402 VanDerWaalsContact OE1-OG 3.07Å |
| 272 | I | 98.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 135.9 | 177.1 | -173.3 | 166 | 0 | 0 | 0 | 110.7 | F274 I289 A292 V308 I355 V357 L372 H401 L403 | I272-F274 HydrophobicContact CG1-CD1 4.44Å; I272-F274 HydrophobicContact CG2-CD1 4.28Å; I272-F274 HydrophobicContact CG2-CE1 4.31Å; I272-I289 HydrophobicContact CD1-CG2 4.28Å; I272-A292 HydrophobicContact CB-CB 4.3Å; I272-A292 HydrophobicContact CG1-CB 4.3Å; I272-V308 HydrophobicContact CD1-CG1 4.01Å; I272-V308 HydrophobicContact CD1-CG2 3.84Å; I272-I355 HydrophobicContact CD1-CG2 3.9Å; I272-V357 HydrophobicContact CD1-CG2 3.84Å; I272-L372 HydrophobicContact CG2-CD2 3.57Å; I272-H401 PolarHBondContact N-O 2.9Å; I272-H401 PolarHBondContact O-N 3.34Å; I272-L403 HydrophobicContact CG2-CD2 3.95Å; I272-L403 HydrophobicContact CG2-CG 4.38Å |
| 273 | C | 98.6 | Very high | 91.4 | Very high | 10 Ų | 10 | 48.2 Ų | 48.2 | 7% | 0.068 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 128.6 | 174.2 | -167.5 | 0 | 0 | 0 | 0 | 109.9 | L290 E291 W400 | C273-L290 HydrophobicContact CB-CB 4.4Å; C273-L290 WeakPolarHBondContact O-CB 3.48Å; C273-L290 PolarHBondContact O-N 2.91Å; C273-E291 HydrophobicContact CB-CG 4.04Å; C273-E291 PolarHBondContact N-O 2.99Å; C273-E291 PolarHBondContact O-N 3.29Å; C273-W400 HydrophobicContact CB-CD2 3.66Å; C273-W400 HydrophobicContact CB-CE3 3.73Å; C273-W400 HydrophobicContact CB-CG 4.29Å; C273-W400 HydrophobicContact CB-CH2 3.9Å; C273-W400 HydrophobicContact CB-CZ2 3.83Å; C273-W400 HydrophobicContact CB-CZ3 3.84Å |
| 274 | F | 98.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 157.2 | 174.4 | 58.8 | -85.8 | 0 | 0 | 0 | 110 | I272 L276 V288 I289 I355 L372 L374 H385 A398 Q399 H401 | I272-F274 HydrophobicContact CG1-CD1 4.44Å; I272-F274 HydrophobicContact CG2-CD1 4.28Å; I272-F274 HydrophobicContact CG2-CE1 4.31Å; F274-L276 HydrophobicContact CD2-CD2 3.88Å; F274-L276 HydrophobicContact CD2-CG 4.04Å; F274-L276 HydrophobicContact CE2-CD1 4.09Å; F274-L276 HydrophobicContact CE2-CD2 3.97Å; F274-L276 HydrophobicContact CE2-CG 3.92Å; F274-V288 CarbonylContact C-O 3.52Å; F274-V288 WeakPolarHBondContact CA-O 3.22Å; F274-V288 VanDerWaalsContact CB-O 3.22Å; F274-V288 WeakPolarHBondContact CB-O 3.15Å; F274-I289 HydrophobicContact CB-CD1 3.85Å; F274-I289 HydrophobicContact CG-CD1 4.48Å; F274-I355 HydrophobicContact CD1-CD1 3.63Å; F274-I355 HydrophobicContact CD2-CD1 3.65Å; F274-I355 HydrophobicContact CE1-CD1 3.6Å; F274-I355 HydrophobicContact CE2-CD1 3.62Å; F274-I355 HydrophobicContact CG-CD1 3.67Å; F274-I355 HydrophobicContact CZ-CD1 3.62Å; F274-L372 HydrophobicContact CE1-CD1 4.13Å; F274-L372 HydrophobicContact CE1-CD2 4.44Å; F274-L372 HydrophobicContact CZ-CD1 4.1Å; F274-L374 HydrophobicContact CE2-CD1 3.85Å; F274-L374 HydrophobicContact CE2-CD2 3.94Å; F274-L374 HydrophobicContact CZ-CD1 3.54Å; F274-L374 HydrophobicContact CZ-CD2 3.78Å; F274-L374 HydrophobicContact CZ-CG 4.29Å; F274-H385 AromaticContact CD2-CE1 3.86Å; F274-H385 AromaticContact CE2-CE1 3.48Å; F274-H385 VanDerWaalsContact CE2-CE1 3.48Å; F274-H385 WeakPolarHBondContact CE2-CE1 3.33Å; F274-H385 AromaticContact CE2-ND1 3.51Å; F274-H385 AromaticContact CZ-ND1 3.74Å; F274-H385 PolarHBondContact O-CE1 3.49Å; F274-A398 WeakPolarHBondContact O-CA 3.33Å; F274-Q399 PolarHBondContact N-O 2.99Å; F274-Q399 PolarHBondContact O-N 3.33Å; F274-Q399 VanDerWaalsContact O-N 3.16Å; F274-H401 HydrophobicContact CE1-CB 4.21Å; F274-H401 AromaticContact CE1-CD2 3.35Å; F274-H401 WeakPolarHBondContact CE1-CD2 3.47Å; F274-H401 AromaticContact CE1-CG 3.88Å; F274-H401 AromaticContact CZ-CD2 3.41Å; F274-H401 VanDerWaalsContact CZ-CD2 3.41Å; F274-H401 WeakPolarHBondContact CZ-CD2 3.39Å; F274-H401 AromaticContact CZ-NE2 3.78Å |
| 275 | S | 98.4 | Very high | 93.3 | Very high | 11 Ų | 11 | 39.4 Ų | 39.4 | 8% | 0.077 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 146.6 | 174.6 | 82.3 | 0 | 0 | 0 | 0 | 112.6 | V287 V288 V397 | S275-V287 WeakPolarHBondContact O-CA 3.22Å; S275-V288 PolarHBondContact N-O 3.07Å; S275-V288 PolarHBondContact O-N 3.26Å; S275-V288 WeakPolarHBondContact OG-CB 3.5Å; S275-V288 WeakPolarHBondContact OG-CG2 3.45Å; S275-V397 CarbonylContact C-O 3.56Å; S275-V397 WeakPolarHBondContact CA-O 3.38Å; S275-V397 WeakPolarHBondContact CB-O 3.39Å |
| 276 | L | 98.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 135.3 | 175.7 | -59.8 | -176.5 | 0 | 0 | 0 | 110.5 | F274 V287 L353 L374 W386 M389 P396 V397 | F274-L276 HydrophobicContact CD2-CD2 3.88Å; F274-L276 HydrophobicContact CD2-CG 4.04Å; F274-L276 HydrophobicContact CE2-CD1 4.09Å; F274-L276 HydrophobicContact CE2-CD2 3.97Å; F274-L276 HydrophobicContact CE2-CG 3.92Å; L276-V287 HydrophobicContact CD2-CB 4.25Å; L276-V287 HydrophobicContact CD2-CG1 3.96Å; L276-V287 HydrophobicContact CD2-CG2 3.81Å; L276-L353 HydrophobicContact CD1-CD2 4.4Å; L276-L353 HydrophobicContact CD2-CD2 3.49Å; L276-L353 VanDerWaalsContact CD2-CD2 3.49Å; L276-L374 HydrophobicContact CD1-CD2 4.06Å; L276-W386 HydrophobicContact CD1-CE3 4.02Å; L276-W386 HydrophobicContact CD1-CZ3 4.39Å; L276-M389 HydrophobicContact CB-CB 4.01Å; L276-M389 HydrophobicContact CB-CG 3.77Å; L276-M389 HydrophobicContact CB-SD 3.61Å; L276-M389 HydrophobicContact CD1-SD 4.13Å; L276-M389 HydrophobicContact CG-SD 4.42Å; L276-P396 WeakPolarHBondContact O-CA 3.29Å; L276-V397 PolarHBondContact N-O 3.47Å; L276-V397 PolarHBondContact O-N 2.91Å |
| 277 | C | 98.1 | Very high | 95.6 | Very high | 18 Ų | 18 | 32 Ų | 32 | 12% | 0.122 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 125.9 | 172.3 | -177.1 | 0 | 0 | 0 | 0 | 109.1 | T286 R394 P396 | C277-T286 PolarHBondContact N-O 3.48Å; C277-T286 PolarHBondContact O-N 3.47Å; C277-R394 VanDerWaalsContact SG-C 3.51Å; C277-P396 HydrophobicContact CB-CB 4.31Å |
| 278 | Y | 97.8 | Very high | 96.5 | Very high | 4 Ų | 4 | 31 Ų | 31 | 2% | 0.016 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 132.9 | 173.3 | -172.5 | -117.2 | 0 | 0 | 0 | 110.8 | P280 K284 L285 V343 S344 L345 I348 L390 R394 | Y278-P280 HydrophobicContact CD1-CG 3.89Å; Y278-P280 HydrophobicContact CE1-CB 4.08Å; Y278-P280 HydrophobicContact CE1-CG 3.8Å; Y278-K284 WeakPolarHBondContact CA-O 3.01Å; Y278-K284 WeakPolarHBondContact CD2-O 3.33Å; Y278-L285 HydrophobicContact CD2-CB 3.99Å; Y278-L285 HydrophobicContact CD2-CD1 4.45Å; Y278-L285 HydrophobicContact CE2-CB 4.49Å; Y278-V343 HydrophobicContact CE2-CB 4.39Å; Y278-V343 VanDerWaalsContact CE2-O 3.27Å; Y278-V343 WeakPolarHBondContact CE2-O 3.03Å; Y278-V343 PolarHBondContact OH-O 2.83Å; Y278-S344 VanDerWaalsContact OH-C 3.23Å; Y278-S344 PolarHBondContact OH-O 2.83Å; Y278-L345 HydrophobicContact CE1-CD1 4.28Å; Y278-L345 PolarHBondContact OH-N 2.87Å; Y278-I348 HydrophobicContact CD1-CG1 4.35Å; Y278-I348 HydrophobicContact CD2-CD1 3.94Å; Y278-I348 HydrophobicContact CD2-CG1 4.37Å; Y278-I348 HydrophobicContact CE1-CB 4.38Å; Y278-I348 HydrophobicContact CE1-CG1 4.2Å; Y278-I348 HydrophobicContact CE1-CG2 4.33Å; Y278-I348 HydrophobicContact CE2-CD1 3.95Å; Y278-I348 HydrophobicContact CE2-CG1 4.25Å; Y278-I348 HydrophobicContact CG-CD1 4.37Å; Y278-I348 HydrophobicContact CG-CG1 4.44Å; Y278-L390 HydrophobicContact CD1-CD2 4.1Å; Y278-R394 PolarHBondContact O-N 2.89Å; Y278-R394 VanDerWaalsContact O-N 3.14Å |
| 279 | V | 96.8 | Very high | 97.1 | Very high | 34 Ų | 34 | 27.1 Ų | 27.1 | 21% | 0.206 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 100.3 | 175.6 | -173.9 | 0 | 0 | 0 | 0 | 108.3 | I281 S282 S283 K284 R394 | V279-I281 PolarHBondContact O-N 3.43Å; V279-S282 WeakPolarHBondContact CB-OG 3.13Å; V279-S282 VanDerWaalsContact CG1-OG 3.29Å; V279-S282 WeakPolarHBondContact CG1-OG 3.21Å; V279-S282 PolarHBondContact O-N 3.14Å; V279-S282 PolarHBondContact O-OG 2.91Å; V279-S283 PolarHBondContact O-N 2.75Å; V279-K284 PolarHBondContact N-O 3.26Å; V279-K284 PolarHBondContact O-N 2.8Å; V279-K284 VanDerWaalsContact O-N 3.12Å; V279-R394 HydrophobicContact CB-CG 4.49Å; V279-R394 HydrophobicContact CG1-CG 4.03Å; V279-R394 HydrophobicContact CG2-CG 3.92Å |
| 280 | P | 94.3 | Very high | 97.4 | Very high | 50 Ų | 50 | 28.6 Ų | 28.6 | 33% | 0.325 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -43.6 | -174.9 | -27 | 34.1 | 0 | 0 | 0 | 113.7 | Y278 S282 S283 L345 | Y278-P280 HydrophobicContact CD1-CG 3.89Å; Y278-P280 HydrophobicContact CE1-CB 4.08Å; Y278-P280 HydrophobicContact CE1-CG 3.8Å; P280-S282 VanDerWaalsContact C-N 3.29Å; P280-S282 PolarHBondContact O-N 3.35Å; P280-S283 PolarHBondContact O-N 3.13Å; P280-L345 HydrophobicContact CB-CD1 4.43Å |
| 281 | I | 94.1 | Very high | 97.6 | Very high | 155 Ų | 155 | 32.1 Ų | 32.1 | 80% | 0.795 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -41.1 | -175.3 | -61.2 | 170 | 0 | 0 | 0 | 111.5 | V279 | V279-I281 PolarHBondContact O-N 3.43Š|
| 282 | S | 95.6 | Very high | 97.6 | Very high | 60 Ų | 60 | 29.8 Ų | 29.8 | 42% | 0.42 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95 | 0.8 | 177.9 | 57.8 | 0 | 0 | 0 | 0 | 113.3 | V279 P280 K284 | V279-S282 WeakPolarHBondContact CB-OG 3.13Å; V279-S282 VanDerWaalsContact CG1-OG 3.29Å; V279-S282 WeakPolarHBondContact CG1-OG 3.21Å; V279-S282 PolarHBondContact O-N 3.14Å; V279-S282 PolarHBondContact O-OG 2.91Å; P280-S282 VanDerWaalsContact C-N 3.29Å; P280-S282 PolarHBondContact O-N 3.35Å; S282-K284 WeakPolarHBondContact O-CG 3.07Å; S282-K284 PolarHBondContact O-N 3.39Å; S282-K284 WeakPolarHBondContact OG-CG 3.1Å |
| 283 | S | 96.7 | Very high | 97.5 | Very high | 36 Ų | 36 | 33 Ų | 33 | 25% | 0.252 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | 42.7 | -174.5 | -65.4 | 0 | 0 | 0 | 0 | 112.7 | V279 P280 D342 V343 | V279-S283 PolarHBondContact O-N 2.75Å; P280-S283 PolarHBondContact O-N 3.13Å; S283-D342 CarbonylContact O-C 3.54Å; S283-D342 VanDerWaalsContact O-CA 3.28Å; S283-D342 WeakPolarHBondContact O-CA 3.18Å; S283-V343 CarbonylContact C-O 3.59Å; S283-V343 WeakPolarHBondContact CA-O 3.45Å; S283-V343 WeakPolarHBondContact CB-O 3.45Å; S283-V343 PolarHBondContact O-N 3.17Å |
| 284 | K | 97.4 | Very high | 97.2 | Very high | 75 Ų | 75 | 36.8 Ų | 36.8 | 33% | 0.326 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 123.6 | -176.9 | -62.4 | -62.3 | -177.9 | 170.9 | 0 | 110.7 | Y278 V279 S282 T340 D342 | Y278-K284 WeakPolarHBondContact CA-O 3.01Å; Y278-K284 WeakPolarHBondContact CD2-O 3.33Å; V279-K284 PolarHBondContact N-O 3.26Å; V279-K284 PolarHBondContact O-N 2.8Å; V279-K284 VanDerWaalsContact O-N 3.12Å; S282-K284 WeakPolarHBondContact O-CG 3.07Å; S282-K284 PolarHBondContact O-N 3.39Å; S282-K284 WeakPolarHBondContact OG-CG 3.1Å; K284-T340 HydrophobicContact CB-CG2 4.16Å; K284-T340 HydrophobicContact CD-CG2 3.83Å; K284-T340 HydrophobicContact CG-CG2 4.34Å; K284-D342 WeakPolarHBondContact CE-OD1 3.49Å; K284-D342 IonicContact NZ-OD1 3.23Å; K284-D342 PolarHBondContact NZ-OD1 2.94Å |
| 285 | L | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 116 | 165.4 | 174.9 | 61.8 | 0 | 0 | 0 | 108.7 | Y278 V287 L312 T340 F341 V343 I348 W386 M389 | Y278-L285 HydrophobicContact CD2-CB 3.99Å; Y278-L285 HydrophobicContact CD2-CD1 4.45Å; Y278-L285 HydrophobicContact CE2-CB 4.49Å; L285-V287 HydrophobicContact CG-CG2 4.3Å; L285-L312 HydrophobicContact CD2-CD2 4.07Å; L285-T340 WeakPolarHBondContact O-CA 3.18Å; L285-F341 PolarHBondContact N-O 2.74Å; L285-F341 PolarHBondContact O-N 3.18Å; L285-V343 HydrophobicContact CB-CB 4.41Å; L285-V343 HydrophobicContact CB-CG2 4.06Å; L285-V343 HydrophobicContact CD2-CG2 4.36Å; L285-I348 HydrophobicContact CD2-CD1 4.25Å; L285-W386 HydrophobicContact CD2-CH2 4.01Å; L285-W386 HydrophobicContact CD2-CZ3 4.39Å; L285-M389 HydrophobicContact CD1-CE 4.24Å; L285-M389 HydrophobicContact CD1-SD 3.36Å; L285-M389 WeakPolarHBondContact CD1-SD 3.31Å |
| 286 | T | 98.3 | Very high | 96.6 | Very high | 33 Ų | 33 | 39.8 Ų | 39.8 | 20% | 0.202 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 129 | 175 | -60.1 | 0 | 0 | 0 | 0 | 109.6 | C277 V288 S338 F339 T340 | C277-T286 PolarHBondContact N-O 3.48Å; C277-T286 PolarHBondContact O-N 3.47Å; T286-V288 HydrophobicContact CG2-CG2 4.15Å; T286-S338 WeakPolarHBondContact CG2-OG 3.42Å; T286-F339 CarbonylContact C-O 3.57Å; T286-F339 WeakPolarHBondContact CA-O 3.45Å; T286-T340 PolarHBondContact OG1-OG1 3.44Å |
| 287 | V | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 117.7 | 176.8 | -175.3 | 0 | 0 | 0 | 0 | 107.6 | S275 L276 L285 I289 V310 F339 F341 L353 | S275-V287 WeakPolarHBondContact O-CA 3.22Å; L276-V287 HydrophobicContact CD2-CB 4.25Å; L276-V287 HydrophobicContact CD2-CG1 3.96Å; L276-V287 HydrophobicContact CD2-CG2 3.81Å; L285-V287 HydrophobicContact CG-CG2 4.3Å; V287-I289 HydrophobicContact CG1-CD1 4.01Å; V287-V310 HydrophobicContact CB-CG1 4.31Å; V287-V310 HydrophobicContact CG1-CG1 4.05Å; V287-V310 HydrophobicContact CG2-CG1 4.45Å; V287-F339 PolarHBondContact N-O 2.97Å; V287-F339 PolarHBondContact O-N 2.8Å; V287-F341 HydrophobicContact CG2-CD2 4.36Å; V287-F341 HydrophobicContact CG2-CE2 4.15Å; V287-L353 HydrophobicContact CG1-CD2 4.29Å; V287-L353 HydrophobicContact CG2-CD1 4.19Å; V287-L353 HydrophobicContact CG2-CD2 3.85Å |
| 288 | V | 98.7 | Very high | 95.4 | Very high | 23 Ų | 23 | 43.8 Ų | 43.8 | 14% | 0.139 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 114.6 | 175.1 | -171.2 | 0 | 0 | 0 | 0 | 108.7 | F274 S275 T286 L290 E337 | F274-V288 CarbonylContact C-O 3.52Å; F274-V288 WeakPolarHBondContact CA-O 3.22Å; F274-V288 VanDerWaalsContact CB-O 3.22Å; F274-V288 WeakPolarHBondContact CB-O 3.15Å; S275-V288 PolarHBondContact N-O 3.07Å; S275-V288 PolarHBondContact O-N 3.26Å; S275-V288 WeakPolarHBondContact OG-CB 3.5Å; S275-V288 WeakPolarHBondContact OG-CG2 3.45Å; T286-V288 HydrophobicContact CG2-CG2 4.15Å; V288-L290 HydrophobicContact CG1-CD2 3.91Å; V288-L290 PolarHBondContact O-N 2.97Å; V288-E337 CarbonylContact C-O 3.53Å; V288-E337 WeakPolarHBondContact CA-O 3.41Å |
| 289 | I | 98.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 114 | 173.2 | -55.7 | -55.4 | 0 | 0 | 0 | 107.4 | I272 F274 V287 V308 V310 T324 F335 N336 E337 F339 I355 | I272-I289 HydrophobicContact CD1-CG2 4.28Å; F274-I289 HydrophobicContact CB-CD1 3.85Å; F274-I289 HydrophobicContact CG-CD1 4.48Å; V287-I289 HydrophobicContact CG1-CD1 4.01Å; I289-V308 HydrophobicContact CD1-CG1 4.22Å; I289-V308 HydrophobicContact CG1-CG1 4.33Å; I289-V308 HydrophobicContact CG2-CB 4.27Å; I289-V308 HydrophobicContact CG2-CG1 4.42Å; I289-V308 HydrophobicContact CG2-CG2 3.98Å; I289-V310 HydrophobicContact CD1-CG2 3.77Å; I289-V310 HydrophobicContact CG1-CG2 3.74Å; I289-T324 HydrophobicContact CB-CG2 4.14Å; I289-T324 HydrophobicContact CG1-CG2 4.15Å; I289-T324 HydrophobicContact CG2-CG2 4.22Å; I289-F335 HydrophobicContact CB-CB 4.48Å; I289-F335 HydrophobicContact CG2-CB 4.04Å; I289-F335 HydrophobicContact CG2-CD2 3.77Å; I289-F335 HydrophobicContact CG2-CE2 4.49Å; I289-F335 HydrophobicContact CG2-CG 4.03Å; I289-N336 CarbonylContact O-C 3.57Å; I289-N336 WeakPolarHBondContact O-CA 3.34Å; I289-N336 PolarHBondContact O-N 3.27Å; I289-E337 PolarHBondContact N-O 3.2Å; I289-E337 PolarHBondContact O-N 3.11Å; I289-F339 HydrophobicContact CG1-CD2 4.24Å; I289-F339 HydrophobicContact CG1-CE2 3.88Å; I289-I355 HydrophobicContact CD1-CD1 4.23Å |
| 290 | L | 98.6 | Very high | 93.5 | Very high | 40 Ų | 40 | 53.4 Ų | 53.4 | 21% | 0.209 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | -69.7 | -174.2 | -63.5 | 171 | 0 | 0 | 0 | 109.9 | C273 V288 F335 N336 A398 | C273-L290 HydrophobicContact CB-CB 4.4Å; C273-L290 WeakPolarHBondContact O-CB 3.48Å; C273-L290 PolarHBondContact O-N 2.91Å; V288-L290 HydrophobicContact CG1-CD2 3.91Å; V288-L290 PolarHBondContact O-N 2.97Å; L290-F335 WeakPolarHBondContact O-CA 3.41Å; L290-F335 PolarHBondContact O-N 3.05Å; L290-N336 PolarHBondContact O-N 2.92Å; L290-A398 HydrophobicContact CD1-CB 3.99Å |
| 291 | E | 98.2 | Very high | 92.4 | Very high | 74 Ų | 74 | 54.5 Ų | 54.5 | 35% | 0.346 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 166.8 | -175.3 | 61.2 | -175.9 | 178.8 | 0 | 0 | 111.3 | C273 P333 Y334 W400 | C273-E291 HydrophobicContact CB-CG 4.04Å; C273-E291 PolarHBondContact N-O 2.99Å; C273-E291 PolarHBondContact O-N 3.29Å; E291-P333 CarbonylContact C-O 3.13Å; E291-P333 WeakPolarHBondContact CA-O 3.28Å; E291-P333 WeakPolarHBondContact CB-O 3.36Å; E291-Y334 HydrophobicContact CB-CD2 4.07Å; E291-W400 HydrophobicContact CG-CH2 3.73Å; E291-W400 HydrophobicContact CG-CZ2 4.05Å; E291-W400 VanDerWaalsContact OE1-CZ2 3.27Å; E291-W400 WeakPolarHBondContact OE1-CZ2 3.49Å |
| 292 | A | 98.3 | Very high | 91.7 | Very high | 2 Ų | 2 | 49.4 Ų | 49.4 | 2% | 0.017 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 158.1 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | E271 I272 L295 N332 P333 | E271-A292 CarbonylContact O-C 3.59Å; E271-A292 WeakPolarHBondContact O-CA 3.44Å; E271-A292 VanDerWaalsContact O-CB 3.29Å; E271-A292 WeakPolarHBondContact O-CB 3.46Å; I272-A292 HydrophobicContact CB-CB 4.3Å; I272-A292 HydrophobicContact CG1-CB 4.3Å; A292-L295 HydrophobicContact CB-CD1 4.03Å; A292-L295 HydrophobicContact CB-CD2 3.94Å; A292-L295 HydrophobicContact CB-CG 4.08Å; A292-N332 CarbonylContact O-C 3.58Å; A292-N332 VanDerWaalsContact O-C 3.26Å; A292-N332 WeakPolarHBondContact O-CA 3.42Å; A292-P333 HydrophobicContact CB-CG 3.92Å; A292-P333 PolarHBondContact N-O 3.14Å; A292-P333 WeakPolarHBondContact O-CD 3.12Å |
| 293 | K | 95.6 | Very high | 91.1 | Very high | 67 Ų | 67 | 47.6 Ų | 47.6 | 29% | 0.291 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 157.8 | 178 | 70.2 | -179.3 | 173.1 | 154.2 | 0 | 111.6 | G270 E271 L295 L331 N332 W400 | G270-K293 WeakPolarHBondContact CA-O 3.41Å; E271-K293 HydrophobicContact CB-CG 4.22Å; E271-K293 PolarHBondContact N-O 3.08Å; E271-K293 PolarHBondContact O-N 2.96Å; E271-K293 WeakPolarHBondContact OE2-CE 3.34Å; E271-K293 IonicContact OE2-NZ 2.95Å; E271-K293 PolarHBondContact OE2-NZ 2.87Å; K293-L295 PolarHBondContact O-N 2.99Å; K293-L295 VanDerWaalsContact O-N 3.12Å; K293-L331 CarbonylContact C-O 3.53Å; K293-N332 WeakPolarHBondContact CA-OD1 3.27Å; K293-N332 VanDerWaalsContact CB-OD1 3.23Å; K293-N332 WeakPolarHBondContact CB-OD1 3.29Å; K293-W400 HydrophobicContact CB-CH2 4.21Å; K293-W400 HydrophobicContact CB-CZ3 4.29Å; K293-W400 HydrophobicContact CD-CE3 4.42Å; K293-W400 HydrophobicContact CD-CH2 3.67Å; K293-W400 HydrophobicContact CD-CZ2 4.25Å; K293-W400 HydrophobicContact CD-CZ3 3.78Å; K293-W400 HydrophobicContact CG-CE3 4.43Å; K293-W400 HydrophobicContact CG-CH2 3.8Å; K293-W400 HydrophobicContact CG-CZ3 3.59Å |
| 294 | D | 92.9 | Very high | 90.8 | Very high | 90 Ų | 90 | 45.9 Ų | 45.9 | 48% | 0.481 | 27% | 0.266 | S | S | . | . | S | Bend | trans | 51.3 | 35.5 | 177.5 | -57.1 | -42 | 0 | 0 | 0 | 112.8 | G270 L331 N332 | G270-D294 WeakPolarHBondContact CA-O 3.35Å; G270-D294 PolarHBondContact N-O 3.13Å; D294-L331 PolarHBondContact N-O 3.03Å; D294-N332 PolarHBondContact N-OD1 2.77Å |
| 295 | L | 94.3 | Very high | 90.7 | Very high | 4 Ų | 4 | 43.8 Ų | 43.8 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -62.4 | 145.4 | 177.7 | -65.5 | -178.7 | 0 | 0 | 0 | 110.6 | A292 K293 S297 P306 L331 P333 V357 M369 L403 | A292-L295 HydrophobicContact CB-CD1 4.03Å; A292-L295 HydrophobicContact CB-CD2 3.94Å; A292-L295 HydrophobicContact CB-CG 4.08Å; K293-L295 PolarHBondContact O-N 2.99Å; K293-L295 VanDerWaalsContact O-N 3.12Å; L295-S297 PolarHBondContact O-N 3.11Å; L295-P306 HydrophobicContact CD1-CB 3.74Å; L295-P306 HydrophobicContact CD1-CG 4.06Å; L295-L331 HydrophobicContact CB-CB 4.39Å; L295-L331 HydrophobicContact CB-CD2 4.43Å; L295-L331 WeakPolarHBondContact CB-O 3.49Å; L295-L331 WeakPolarHBondContact CG-O 3.47Å; L295-L331 PolarHBondContact N-O 3.17Å; L295-L331 VanDerWaalsContact N-O 3.09Å; L295-L331 WeakPolarHBondContact O-CD2 3.19Å; L295-P333 HydrophobicContact CD1-CG 3.78Å; L295-V357 HydrophobicContact CD1-CG1 4.04Å; L295-V357 HydrophobicContact CD2-CG1 4.21Å; L295-M369 HydrophobicContact CB-SD 4.35Å; L295-M369 HydrophobicContact CD1-SD 4.22Å; L295-L403 HydrophobicContact CD2-CD1 3.61Å |
| 296 | K | 89.6 | Confident | 90.6 | Very high | 71 Ų | 71 | 43.8 Ų | 43.8 | 31% | 0.309 | 26% | 0.259 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 126 | 173.5 | -177.4 | 175 | -178 | 178.4 | 0 | 110 | E267 L269 M298 S304 | E267-K296 IonicContact OE2-NZ 3.48Å; E267-K296 PolarHBondContact OE2-NZ 2.79Å; L269-K296 HydrophobicContact CD2-CD 3.79Å; K296-M298 HydrophobicContact CD-SD 4.04Å; K296-M298 HydrophobicContact CG-SD 4.01Å; K296-M298 PolarHBondContact O-N 2.87Å; K296-S304 PolarHBondContact O-OG 2.83Å |
| 297 | S | 87.6 | Confident | 90.6 | Very high | 43 Ų | 43 | 42.9 Ų | 42.9 | 30% | 0.301 | 25% | 0.252 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 126.1 | 169.9 | 174.5 | 0 | 0 | 0 | 0 | 110.3 | L295 D299 G302 S303 | L295-S297 PolarHBondContact O-N 3.11Å; S297-D299 PolarHBondContact OG-O 2.88Å; S297-G302 WeakPolarHBondContact OG-CA 3.49Å; S297-S303 PolarHBondContact OG-N 2.95Å; S297-S303 PolarHBondContact OG-O 2.93Å |
| 298 | M | 83.7 | Confident | 90.6 | Very high | 59 Ų | 59 | 42.9 Ų | 42.9 | 29% | 0.291 | 25% | 0.252 | S | S | . | . | trans | -108.8 | -21.8 | 174.6 | -49.4 | -66.1 | -68.1 | 0 | 0 | 112.8 | K296 S304 D359 D367 M369 | K296-M298 HydrophobicContact CD-SD 4.04Å; K296-M298 HydrophobicContact CG-SD 4.01Å; K296-M298 PolarHBondContact O-N 2.87Å; M298-S304 PolarHBondContact N-OG 2.91Å; M298-D359 HydrophobicContact CB-CB 4.29Å; M298-D359 VanDerWaalsContact CB-OD2 3.29Å; M298-D359 WeakPolarHBondContact CB-OD2 3.33Å; M298-D359 HydrophobicContact CG-CB 4.25Å; M298-D367 HydrophobicContact CE-CB 3.86Å; M298-M369 HydrophobicContact CG-CG 3.85Å; M298-M369 HydrophobicContact SD-CG 4.43Å | ||
| 299 | D | 82.9 | Confident | 90.6 | Very high | 45 Ų | 45 | 43.2 Ų | 43.2 | 24% | 0.241 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -81.9 | 151.8 | 177.9 | -59.8 | -38.5 | 0 | 0 | 0 | 112.2 | S297 G301 G302 S303 S304 | S297-D299 PolarHBondContact OG-O 2.88Å; D299-G301 PolarHBondContact O-N 2.91Å; D299-G302 PolarHBondContact O-N 2.9Å; D299-G302 VanDerWaalsContact O-N 3.1Å; D299-S303 WeakPolarHBondContact CB-O 3.4Å; D299-S303 PolarHBondContact N-O 2.81Å; D299-S304 WeakPolarHBondContact OD2-CA 3.5Å |
| 300 | L | 72.3 | Confident | 90.5 | Very high | 195 Ų | 195 | 43.2 Ų | 43.2 | 100% | 1.021 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -18.8 | 173 | -69.5 | 169.9 | 0 | 0 | 0 | 113.7 | ||
| 301 | G | 71.1 | Confident | 90.5 | Very high | 72 Ų | 72 | 42.3 Ų | 42.3 | 74% | 0.742 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | 6.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | D299 S303 | D299-G301 PolarHBondContact O-N 2.91Å; G301-S303 VanDerWaalsContact C-N 3.32Å |
| 302 | G | 77.9 | Confident | 90.4 | Very high | 49 Ų | 49 | 38.8 Ų | 38.8 | 51% | 0.505 | 23% | 0.23 | S | C | . | . | S | Bend | trans | 76.1 | 19.3 | -179 | 0 | 0 | 0 | 0 | 0 | 113.9 | S297 D299 | S297-G302 WeakPolarHBondContact OG-CA 3.49Å; D299-G302 PolarHBondContact O-N 2.9Å; D299-G302 VanDerWaalsContact O-N 3.1Å |
| 303 | S | 84.4 | Confident | 90.1 | Very high | 22 Ų | 22 | 38.8 Ų | 38.8 | 15% | 0.154 | 23% | 0.229 | C | C | . | . | trans | -134.9 | 178.8 | -179.3 | -173.5 | 0 | 0 | 0 | 0 | 110.6 | S297 D299 G301 K329 S330 | S297-S303 PolarHBondContact OG-N 2.95Å; S297-S303 PolarHBondContact OG-O 2.93Å; D299-S303 WeakPolarHBondContact CB-O 3.4Å; D299-S303 PolarHBondContact N-O 2.81Å; G301-S303 VanDerWaalsContact C-N 3.32Å; S303-K329 WeakPolarHBondContact OG-CA 3.38Å; S303-S330 PolarHBondContact OG-N 3.38Å | ||
| 304 | S | 90.4 | Very high | 90 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 22% | 0.223 | C | C | . | . | trans | -142.8 | 164.3 | 169.3 | -77.5 | 0 | 0 | 0 | 0 | 111.5 | K296 M298 D299 P306 K329 S330 D359 M369 | K296-S304 PolarHBondContact O-OG 2.83Å; M298-S304 PolarHBondContact N-OG 2.91Å; D299-S304 WeakPolarHBondContact OD2-CA 3.5Å; S304-P306 WeakPolarHBondContact O-CD 3.36Å; S304-K329 CarbonylContact O-C 3.53Å; S304-K329 WeakPolarHBondContact O-CA 3.37Å; S304-K329 PolarHBondContact O-N 3.28Å; S304-K329 VanDerWaalsContact O-N 3.14Å; S304-S330 PolarHBondContact O-N 3.43Å; S304-D359 WeakPolarHBondContact CA-OD2 3.38Å; S304-D359 WeakPolarHBondContact CB-OD2 3.37Å; S304-D359 PolarHBondContact OG-OD2 3.24Å; S304-M369 WeakPolarHBondContact OG-CE 3.29Å | ||
| 305 | D | 93.9 | Very high | 89.7 | Confident | 31 Ų | 31 | 37 Ų | 37 | 17% | 0.166 | 22% | 0.223 | C | C | . | . | trans | -105.9 | 68.2 | 170 | -70.7 | -22.7 | 0 | 0 | 0 | 111 | I326 K327 K328 K329 D359 H360 | D305-I326 HydrophobicContact CB-CG2 4.1Å; D305-K327 CarbonylContact C-O 3.48Å; D305-K327 VanDerWaalsContact C-O 3.26Å; D305-K327 VanDerWaalsContact CA-O 3.23Å; D305-K327 WeakPolarHBondContact CA-O 3.15Å; D305-K328 WeakPolarHBondContact OD1-CA 3.47Å; D305-K329 PolarHBondContact OD1-N 3.5Å; D305-D359 WeakPolarHBondContact CA-OD1 3.44Å; D305-D359 PolarHBondContact N-OD1 2.56Å; D305-H360 HydrophobicContact CB-CB 4.16Å; D305-H360 PolarHBondContact O-N 3.45Å | ||
| 306 | P | 96.8 | Very high | 89 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 142.1 | -169.5 | 26.9 | -38.5 | 0 | 0 | 0 | 115 | L295 S304 K327 S330 P333 F335 V357 W358 M369 | L295-P306 HydrophobicContact CD1-CB 3.74Å; L295-P306 HydrophobicContact CD1-CG 4.06Å; S304-P306 WeakPolarHBondContact O-CD 3.36Å; P306-K327 WeakPolarHBondContact CD-O 3.45Å; P306-K327 HydrophobicContact CG-CB 4.37Å; P306-K327 PolarHBondContact O-N 3.29Å; P306-S330 WeakPolarHBondContact CD-O 3.4Å; P306-S330 WeakPolarHBondContact CG-O 3.4Å; P306-P333 HydrophobicContact CB-CG 4.07Å; P306-P333 HydrophobicContact CG-CB 3.73Å; P306-P333 HydrophobicContact CG-CG 3.57Å; P306-F335 HydrophobicContact CB-CZ 4.47Å; P306-V357 HydrophobicContact CB-CG1 4.33Å; P306-W358 CarbonylContact C-O 3.59Å; P306-W358 VanDerWaalsContact CA-O 3.3Å; P306-W358 WeakPolarHBondContact CA-O 3.3Å; P306-M369 HydrophobicContact CB-CE 4Å |
| 307 | Y | 97.9 | Very high | 88.8 | Confident | 13 Ų | 13 | 49.1 Ų | 49.1 | 5% | 0.051 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 156.2 | 162.9 | 72.3 | -76.1 | 0 | 0 | 0 | 111.1 | K309 I326 W358 H360 N366 | Y307-K309 HydrophobicContact CD2-CG 4.34Å; Y307-K309 HydrophobicContact CE2-CD 4.22Å; Y307-K309 HydrophobicContact CE2-CG 3.79Å; Y307-K309 VanDerWaalsContact CZ-CE 3.48Å; Y307-K309 WeakPolarHBondContact OH-CE 3.47Å; Y307-K309 PolarHBondContact OH-NZ 3.07Å; Y307-I326 HydrophobicContact CD1-CG1 4.22Å; Y307-I326 HydrophobicContact CG-CG1 4.12Å; Y307-W358 HydrophobicContact CD1-CB 3.88Å; Y307-W358 WeakPolarHBondContact CD1-O 3.38Å; Y307-W358 HydrophobicContact CE1-CB 3.25Å; Y307-W358 HydrophobicContact CE1-CG 4.28Å; Y307-W358 HydrophobicContact CE2-CB 4.04Å; Y307-W358 HydrophobicContact CE2-CG 4.38Å; Y307-W358 HydrophobicContact CG-CB 4.47Å; Y307-W358 AromaticContact CZ-CG 3.88Å; Y307-W358 PolarHBondContact N-O 3.31Å; Y307-W358 PolarHBondContact O-N 2.86Å; Y307-W358 WeakPolarHBondContact OH-CB 3.26Å; Y307-H360 HydrophobicContact CD1-CB 3.95Å; Y307-H360 HydrophobicContact CE1-CB 4.02Å; Y307-N366 WeakPolarHBondContact CE1-ND2 3.16Å; Y307-N366 PolarHBondContact OH-ND2 2.94Å |
| 308 | V | 98.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 128.7 | -174.4 | -173.8 | 0 | 0 | 0 | 0 | 110.4 | I272 I289 V310 I323 T324 F335 I355 S356 V357 | I272-V308 HydrophobicContact CD1-CG1 4.01Å; I272-V308 HydrophobicContact CD1-CG2 3.84Å; I289-V308 HydrophobicContact CD1-CG1 4.22Å; I289-V308 HydrophobicContact CG1-CG1 4.33Å; I289-V308 HydrophobicContact CG2-CB 4.27Å; I289-V308 HydrophobicContact CG2-CG1 4.42Å; I289-V308 HydrophobicContact CG2-CG2 3.98Å; V308-V310 HydrophobicContact CG1-CG2 4.28Å; V308-I323 CarbonylContact O-C 3.51Å; V308-I323 VanDerWaalsContact O-CA 3.25Å; V308-I323 WeakPolarHBondContact O-CA 3.26Å; V308-T324 HydrophobicContact CB-CG2 3.85Å; V308-T324 HydrophobicContact CG2-CG2 4.48Å; V308-T324 PolarHBondContact N-OG1 3.47Å; V308-T324 PolarHBondContact O-N 3.15Å; V308-F335 HydrophobicContact CG2-CD2 4.37Å; V308-F335 HydrophobicContact CG2-CE1 4.34Å; V308-F335 HydrophobicContact CG2-CE2 3.79Å; V308-F335 HydrophobicContact CG2-CZ 3.78Å; V308-I355 HydrophobicContact CG1-CG2 3.62Å; V308-S356 CarbonylContact C-O 3.26Å; V308-S356 WeakPolarHBondContact CA-O 3.05Å; V308-V357 HydrophobicContact CG2-CG2 4.25Å |
| 309 | K | 98.1 | Very high | 89 | Confident | 30 Ų | 30 | 56.1 Ų | 56.1 | 13% | 0.13 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 119 | 168.5 | -53.4 | 179.3 | -174.2 | 158.9 | 0 | 109 | Y307 I323 S356 W358 | Y307-K309 HydrophobicContact CD2-CG 4.34Å; Y307-K309 HydrophobicContact CE2-CD 4.22Å; Y307-K309 HydrophobicContact CE2-CG 3.79Å; Y307-K309 VanDerWaalsContact CZ-CE 3.48Å; Y307-K309 WeakPolarHBondContact OH-CE 3.47Å; Y307-K309 PolarHBondContact OH-NZ 3.07Å; K309-I323 HydrophobicContact CB-CG2 4.28Å; K309-I323 HydrophobicContact CG-CG2 3.85Å; K309-S356 PolarHBondContact N-O 3.31Å; K309-S356 PolarHBondContact O-N 3.22Å; K309-S356 PolarHBondContact O-OG 2.98Å; K309-W358 HydrophobicContact CD-CD2 4.25Å; K309-W358 HydrophobicContact CD-CG 4.21Å; K309-W358 HydrophobicContact CD-CZ2 4.28Å; K309-W358 HydrophobicContact CG-CG 4.46Å; K309-W358 VanDerWaalsContact NZ-CE3 3.31Å |
| 310 | V | 98.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 113.4 | 175.3 | -172.5 | 0 | 0 | 0 | 0 | 108.2 | V287 I289 V308 K321 R322 F339 F341 L353 | V287-V310 HydrophobicContact CB-CG1 4.31Å; V287-V310 HydrophobicContact CG1-CG1 4.05Å; V287-V310 HydrophobicContact CG2-CG1 4.45Å; I289-V310 HydrophobicContact CD1-CG2 3.77Å; I289-V310 HydrophobicContact CG1-CG2 3.74Å; V308-V310 HydrophobicContact CG1-CG2 4.28Å; V310-K321 CarbonylContact O-C 3.58Å; V310-K321 WeakPolarHBondContact O-CA 3.34Å; V310-R322 PolarHBondContact N-O 3.3Å; V310-R322 PolarHBondContact O-N 2.94Å; V310-F339 HydrophobicContact CB-CD2 4.39Å; V310-F339 HydrophobicContact CG2-CD2 3.84Å; V310-F339 HydrophobicContact CG2-CE2 3.92Å; V310-F341 HydrophobicContact CG1-CE2 3.94Å; V310-F341 HydrophobicContact CG1-CZ 3.98Å; V310-L353 HydrophobicContact CG1-CD1 3.68Å |
| 311 | Q | 97.3 | Very high | 90.7 | Very high | 22 Ų | 22 | 51.5 Ų | 51.5 | 10% | 0.103 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 123.2 | -171.5 | -163.8 | -160 | -73.3 | 0 | 0 | 111.4 | T313 K318 K320 K321 V354 | Q311-T313 VanDerWaalsContact NE2-CG2 3.27Å; Q311-K318 VanDerWaalsContact NE2-CG 3.26Å; Q311-K320 CarbonylContact C-O 3.35Å; Q311-K320 WeakPolarHBondContact CA-O 3.3Å; Q311-K321 HydrophobicContact CB-CG 4.4Å; Q311-K321 HydrophobicContact CG-CB 4.12Å; Q311-K321 HydrophobicContact CG-CG 4.25Å; Q311-V354 HydrophobicContact CB-CB 4.37Å; Q311-V354 PolarHBondContact N-O 2.96Å; Q311-V354 WeakPolarHBondContact O-CA 3.27Å; Q311-V354 WeakPolarHBondContact O-CB 3.47Å; Q311-V354 PolarHBondContact O-N 2.81Å |
| 312 | L | 96.4 | Very high | 92 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 136 | 167.4 | -61.9 | -176.1 | 0 | 0 | 0 | 110.1 | L285 W319 K320 F341 V343 V351 L353 | L285-L312 HydrophobicContact CD2-CD2 4.07Å; L312-W319 HydrophobicContact CB-CE3 4.32Å; L312-W319 HydrophobicContact CD1-CE3 4.35Å; L312-W319 HydrophobicContact CD1-CZ3 4.46Å; L312-W319 PolarHBondContact O-N 3.09Å; L312-K320 HydrophobicContact CB-CB 4.44Å; L312-K320 HydrophobicContact CD1-CB 4.5Å; L312-K320 PolarHBondContact N-O 3.06Å; L312-F341 HydrophobicContact CD1-CB 3.55Å; L312-F341 HydrophobicContact CD1-CD1 3.8Å; L312-F341 HydrophobicContact CD1-CD2 4.15Å; L312-F341 HydrophobicContact CD1-CG 3.57Å; L312-F341 HydrophobicContact CG-CD1 4.2Å; L312-F341 HydrophobicContact CG-CD2 4.42Å; L312-F341 HydrophobicContact CG-CE1 4.46Å; L312-F341 HydrophobicContact CG-CG 4.18Å; L312-V343 HydrophobicContact CD1-CG2 3.71Å; L312-V351 HydrophobicContact CB-CG2 3.94Å; L312-V351 HydrophobicContact CD1-CG2 4.37Å; L312-V351 HydrophobicContact CD2-CG2 4.05Å; L312-V351 HydrophobicContact CG-CG2 4.34Å; L312-L353 HydrophobicContact CD2-CB 4.11Å; L312-L353 HydrophobicContact CD2-CD1 3.77Å |
| 313 | T | 93.1 | Very high | 92.9 | Very high | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.006 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 127 | 168.5 | 49.5 | 0 | 0 | 0 | 0 | 108.8 | Q311 R317 V351 N352 V354 | Q311-T313 VanDerWaalsContact NE2-CG2 3.27Å; T313-R317 CarbonylContact C-O 3.44Å; T313-R317 WeakPolarHBondContact CA-O 3.29Å; T313-V351 CarbonylContact O-C 3.55Å; T313-V351 WeakPolarHBondContact O-CA 3.5Å; T313-V351 WeakPolarHBondContact O-CG2 3.12Å; T313-N352 PolarHBondContact N-O 3.45Å; T313-N352 PolarHBondContact O-N 3.3Å; T313-N352 VanDerWaalsContact OG1-CB 3.29Å; T313-N352 WeakPolarHBondContact OG1-CB 3.46Å; T313-N352 PolarHBondContact OG1-O 3.35Å; T313-V354 HydrophobicContact CG2-CG2 4.04Å |
| 314 | L | 92.1 | Very high | 93.6 | Very high | 30 Ų | 30 | 55.4 Ų | 55.4 | 16% | 0.157 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 130 | 178 | 177.3 | 65.1 | 0 | 0 | 0 | 107.9 | K316 R317 W319 Q347 R350 V351 | L314-K316 PolarHBondContact O-N 2.99Å; L314-K316 VanDerWaalsContact O-N 3.17Å; L314-R317 PolarHBondContact N-O 3.26Å; L314-R317 WeakPolarHBondContact O-CB 3.29Å; L314-R317 PolarHBondContact O-N 3.41Å; L314-W319 HydrophobicContact CB-CB 4.44Å; L314-W319 HydrophobicContact CB-CE3 4.12Å; L314-W319 HydrophobicContact CD2-CE3 4.32Å; L314-W319 HydrophobicContact CD2-CZ3 4.46Å; L314-Q347 HydrophobicContact CD1-CB 4.47Å; L314-R350 HydrophobicContact CD1-CB 3.85Å; L314-V351 HydrophobicContact CD1-CB 4.45Å |
| 315 | D | 86.6 | Confident | 93.9 | Very high | 91 Ų | 91 | 57.9 Ų | 57.9 | 49% | 0.487 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | 43.3 | -178.8 | -53.4 | -40.4 | 0 | 0 | 0 | 112.3 | R317 R350 | D315-R317 PolarHBondContact O-N 3.06Å; D315-R317 VanDerWaalsContact O-N 3.11Å; D315-R350 VanDerWaalsContact OD1-CD 3.3Å; D315-R350 WeakPolarHBondContact OD1-CD 3.49Å; D315-R350 IonicContact OD1-NE 2.83Å; D315-R350 PolarHBondContact OD1-NE 3.15Å; D315-R350 IonicContact OD2-NE 3.53Å |
| 316 | K | 79.9 | Confident | 94.1 | Very high | 131 Ų | 131 | 59.9 Ų | 59.9 | 57% | 0.57 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.2 | 16.2 | -177.9 | -52.7 | 178.4 | -178.6 | 177.7 | 0 | 114.5 | L314 L415 | L314-K316 PolarHBondContact O-N 2.99Å; L314-K316 VanDerWaalsContact O-N 3.17Å; K316-L415 VanDerWaalsContact O-CD2 3.29Å; K316-L415 WeakPolarHBondContact O-CD2 3.45Å |
| 317 | R | 84.7 | Confident | 94.1 | Very high | 198 Ų | 198 | 62.8 Ų | 62.8 | 75% | 0.747 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 141.1 | 173.5 | -63.2 | -178.1 | -178.5 | -169.7 | 1.9 | 110.2 | T313 L314 D315 W319 | T313-R317 CarbonylContact C-O 3.44Å; T313-R317 WeakPolarHBondContact CA-O 3.29Å; L314-R317 PolarHBondContact N-O 3.26Å; L314-R317 WeakPolarHBondContact O-CB 3.29Å; L314-R317 PolarHBondContact O-N 3.41Å; D315-R317 PolarHBondContact O-N 3.06Å; D315-R317 VanDerWaalsContact O-N 3.11Å; R317-W319 PolarHBondContact O-N 3.44Å |
| 318 | K | 88.3 | Confident | 93.9 | Very high | 138 Ų | 138 | 70.3 Ų | 70.3 | 60% | 0.6 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 132.4 | 175.3 | -53.8 | -164.9 | 172.1 | -164.8 | 0 | 109.4 | Q311 | Q311-K318 VanDerWaalsContact NE2-CG 3.26Å |
| 319 | W | 88.8 | Confident | 93.5 | Very high | 110 Ų | 110 | 78.3 Ų | 78.3 | 42% | 0.417 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | -86.6 | -176.6 | -176.5 | 28.1 | 0 | 0 | 0 | 112.2 | L312 L314 R317 D342 V343 | L312-W319 HydrophobicContact CB-CE3 4.32Å; L312-W319 HydrophobicContact CD1-CE3 4.35Å; L312-W319 HydrophobicContact CD1-CZ3 4.46Å; L312-W319 PolarHBondContact O-N 3.09Å; L314-W319 HydrophobicContact CB-CB 4.44Å; L314-W319 HydrophobicContact CB-CE3 4.12Å; L314-W319 HydrophobicContact CD2-CE3 4.32Å; L314-W319 HydrophobicContact CD2-CZ3 4.46Å; R317-W319 PolarHBondContact O-N 3.44Å; W319-D342 VanDerWaalsContact CH2-O 3.31Å; W319-D342 WeakPolarHBondContact CH2-O 3.46Å; W319-V343 HydrophobicContact CZ3-CG2 4.23Å |
| 320 | K | 93.5 | Very high | 93.3 | Very high | 43 Ų | 43 | 78.4 Ų | 78.4 | 19% | 0.187 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 142.4 | -179.6 | -63.3 | 180 | -178.9 | 175.9 | 0 | 110 | Q311 L312 F341 D342 | Q311-K320 CarbonylContact C-O 3.35Å; Q311-K320 WeakPolarHBondContact CA-O 3.3Å; L312-K320 HydrophobicContact CB-CB 4.44Å; L312-K320 HydrophobicContact CD1-CB 4.5Å; L312-K320 PolarHBondContact N-O 3.06Å; K320-F341 HydrophobicContact CB-CD1 3.66Å; K320-F341 HydrophobicContact CB-CE1 3.81Å; K320-F341 HydrophobicContact CD-CB 4.4Å; K320-F341 HydrophobicContact CD-CD1 3.86Å; K320-F341 HydrophobicContact CG-CD1 4.38Å; K320-D342 PolarHBondContact NZ-O 2.81Å; K320-D342 IonicContact NZ-OD2 2.61Å; K320-D342 PolarHBondContact NZ-OD2 3.48Å |
| 321 | K | 96.7 | Very high | 93.1 | Very high | 100 Ų | 100 | 80.5 Ų | 80.5 | 44% | 0.435 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 138.4 | 177.6 | -173.5 | -175 | 168.7 | -162.4 | 0 | 110.6 | V310 Q311 | V310-K321 CarbonylContact O-C 3.58Å; V310-K321 WeakPolarHBondContact O-CA 3.34Å; Q311-K321 HydrophobicContact CB-CG 4.4Å; Q311-K321 HydrophobicContact CG-CB 4.12Å; Q311-K321 HydrophobicContact CG-CG 4.25Å |
| 322 | R | 97.9 | Very high | 93.1 | Very high | 129 Ų | 129 | 83.9 Ų | 83.9 | 49% | 0.487 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 160 | 168.6 | -63.3 | -65.8 | -178.5 | -99.8 | 5.2 | 109.5 | V310 F339 F341 | V310-R322 PolarHBondContact N-O 3.3Å; V310-R322 PolarHBondContact O-N 2.94Å; R322-F339 HydrophobicContact CB-CB 4.45Å; R322-F339 HydrophobicContact CB-CD1 3.38Å; R322-F339 HydrophobicContact CB-CE1 3.71Å; R322-F339 HydrophobicContact CB-CG 3.93Å; R322-F339 HydrophobicContact CG-CB 4.39Å; R322-F339 HydrophobicContact CG-CD1 3.75Å; R322-F339 HydrophobicContact CG-CE1 4.45Å; R322-F339 HydrophobicContact CG-CG 4.31Å; R322-F341 HydrophobicContact CB-CZ 4.27Å; R322-F341 HydrophobicContact CG-CE1 3.83Å; R322-F341 HydrophobicContact CG-CZ 3.81Å |
| 323 | I | 97.8 | Very high | 93.2 | Very high | 90 Ų | 90 | 84 Ų | 84 | 46% | 0.462 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 148.5 | 176.9 | 66.8 | 176.5 | 0 | 0 | 0 | 108.7 | V308 K309 F339 | V308-I323 CarbonylContact O-C 3.51Å; V308-I323 VanDerWaalsContact O-CA 3.25Å; V308-I323 WeakPolarHBondContact O-CA 3.26Å; K309-I323 HydrophobicContact CB-CG2 4.28Å; K309-I323 HydrophobicContact CG-CG2 3.85Å; I323-F339 WeakPolarHBondContact O-CE1 3.36Å; I323-F339 WeakPolarHBondContact O-CZ 3.39Å |
| 324 | T | 98.4 | Very high | 93.4 | Very high | 7 Ų | 7 | 90.3 Ų | 90.3 | 4% | 0.043 | 41% | 0.407 | C | S | . | . | P | Polyproline II helix | trans | -78.8 | 173.1 | 171.8 | 63.3 | 0 | 0 | 0 | 0 | 111.7 | I289 V308 F335 E337 F339 | I289-T324 HydrophobicContact CB-CG2 4.14Å; I289-T324 HydrophobicContact CG1-CG2 4.15Å; I289-T324 HydrophobicContact CG2-CG2 4.22Å; V308-T324 HydrophobicContact CB-CG2 3.85Å; V308-T324 HydrophobicContact CG2-CG2 4.48Å; V308-T324 PolarHBondContact N-OG1 3.47Å; V308-T324 PolarHBondContact O-N 3.15Å; T324-F335 HydrophobicContact CG2-CD1 4.13Å; T324-F335 HydrophobicContact CG2-CG 4.45Å; T324-F335 WeakPolarHBondContact OG1-CE1 3.37Å; T324-E337 WeakPolarHBondContact CA-OE2 3.21Å; T324-E337 WeakPolarHBondContact CB-OE1 3.23Å; T324-E337 HydrophobicContact CG2-CB 4.3Å; T324-F339 HydrophobicContact CG2-CE2 3.77Å; T324-F339 HydrophobicContact CG2-CZ 3.76Å |
| 325 | S | 97.4 | Very high | 93.7 | Very high | 52 Ų | 52 | 89.4 Ų | 89.4 | 36% | 0.364 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 154.7 | 158.5 | 67.9 | 0 | 0 | 0 | 0 | 111.4 | K327 E337 | S325-K327 VanDerWaalsContact OG-CE 3.26Å; S325-K327 WeakPolarHBondContact OG-CE 3.23Å; S325-K327 PolarHBondContact OG-NZ 3.11Å; S325-E337 VanDerWaalsContact CB-OE1 3.29Å; S325-E337 WeakPolarHBondContact CB-OE1 3.46Å; S325-E337 PolarHBondContact N-OE1 2.88Å; S325-E337 PolarHBondContact N-OE2 2.75Å; S325-E337 PolarHBondContact OG-OE1 2.83Å |
| 326 | I | 97.4 | Very high | 94.2 | Very high | 73 Ų | 73 | 89.3 Ų | 89.3 | 37% | 0.374 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -86.5 | 130 | 174.2 | -62.2 | 155.7 | 0 | 0 | 0 | 108.1 | D305 Y307 H360 | D305-I326 HydrophobicContact CB-CG2 4.1Å; Y307-I326 HydrophobicContact CD1-CG1 4.22Å; Y307-I326 HydrophobicContact CG-CG1 4.12Å; I326-H360 HydrophobicContact CD1-CB 4.06Å; I326-H360 WeakPolarHBondContact CD1-CD2 3.34Å; I326-H360 HydrophobicContact CG1-CB 4.2Å; I326-H360 HydrophobicContact CG2-CB 3.9Å |
| 327 | K | 96.6 | Very high | 95.1 | Very high | 61 Ų | 61 | 85.1 Ų | 85.1 | 27% | 0.265 | 38% | 0.384 | S | S | . | . | P | Polyproline II helix | trans | -102.2 | 119.5 | 173.2 | -56.5 | -62 | 172.6 | 167 | 0 | 107.8 | D305 P306 S325 P333 Y334 F335 | D305-K327 CarbonylContact C-O 3.48Å; D305-K327 VanDerWaalsContact C-O 3.26Å; D305-K327 VanDerWaalsContact CA-O 3.23Å; D305-K327 WeakPolarHBondContact CA-O 3.15Å; P306-K327 WeakPolarHBondContact CD-O 3.45Å; P306-K327 HydrophobicContact CG-CB 4.37Å; P306-K327 PolarHBondContact O-N 3.29Å; S325-K327 VanDerWaalsContact OG-CE 3.26Å; S325-K327 WeakPolarHBondContact OG-CE 3.23Å; S325-K327 PolarHBondContact OG-NZ 3.11Å; K327-P333 HydrophobicContact CB-CB 3.83Å; K327-P333 HydrophobicContact CG-CB 3.84Å; K327-Y334 WeakPolarHBondContact CE-O 3.28Å; K327-Y334 PolarHBondContact NZ-O 3.33Å; K327-Y334 VanDerWaalsContact NZ-O 3.13Å; K327-F335 HydrophobicContact CG-CD1 3.96Å; K327-F335 HydrophobicContact CG-CE1 3.62Å; K327-F335 HydrophobicContact CG-CZ 4.21Å |
| 328 | K | 93.4 | Very high | 95.7 | Very high | 170 Ų | 170 | 79.2 Ų | 79.2 | 74% | 0.739 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -79.3 | 142.8 | -175.9 | -65 | -175.1 | 177.9 | -176.2 | 0 | 111.6 | D305 S330 | D305-K328 WeakPolarHBondContact OD1-CA 3.47Å; K328-S330 PolarHBondContact O-N 3.35Å |
| 329 | K | 91.8 | Very high | 96.2 | Very high | 169 Ų | 169 | 73.7 Ų | 73.7 | 74% | 0.735 | 35% | 0.349 | S | S | * | . | S | Bend | trans | 44.8 | 55.3 | 171.4 | -62.1 | -174.1 | 177.4 | -174.1 | 0 | 114 | S303 S304 D305 | S303-K329 WeakPolarHBondContact OG-CA 3.38Å; S304-K329 CarbonylContact O-C 3.53Å; S304-K329 WeakPolarHBondContact O-CA 3.37Å; S304-K329 PolarHBondContact O-N 3.28Å; S304-K329 VanDerWaalsContact O-N 3.14Å; D305-K329 PolarHBondContact OD1-N 3.5Å |
| 330 | S | 93.4 | Very high | 96.7 | Very high | 31 Ų | 31 | 71.8 Ų | 71.8 | 22% | 0.217 | 35% | 0.35 | C | S | . | . | trans | -142.6 | 134.7 | 179.8 | -176.9 | 0 | 0 | 0 | 0 | 112.2 | S303 S304 P306 K328 N332 | S303-S330 PolarHBondContact OG-N 3.38Å; S304-S330 PolarHBondContact O-N 3.43Å; P306-S330 WeakPolarHBondContact CD-O 3.4Å; P306-S330 WeakPolarHBondContact CG-O 3.4Å; K328-S330 PolarHBondContact O-N 3.35Å; S330-N332 VanDerWaalsContact OG-C 3.23Å; S330-N332 PolarHBondContact OG-N 3.09Å; S330-N332 VanDerWaalsContact OG-N 3.12Å; S330-N332 PolarHBondContact OG-O 2.99Å | ||
| 331 | L | 94.3 | Very high | 96.9 | Very high | 45 Ų | 45 | 69.8 Ų | 69.8 | 24% | 0.236 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -97.3 | -5.3 | 167.7 | -55.7 | -177.9 | 0 | 0 | 0 | 112.6 | K293 D294 L295 P333 | K293-L331 CarbonylContact C-O 3.53Å; D294-L331 PolarHBondContact N-O 3.03Å; L295-L331 HydrophobicContact CB-CB 4.39Å; L295-L331 HydrophobicContact CB-CD2 4.43Å; L295-L331 WeakPolarHBondContact CB-O 3.49Å; L295-L331 WeakPolarHBondContact CG-O 3.47Å; L295-L331 PolarHBondContact N-O 3.17Å; L295-L331 VanDerWaalsContact N-O 3.09Å; L295-L331 WeakPolarHBondContact O-CD2 3.19Å; L331-P333 VanDerWaalsContact C-CD 3.4Å |
| 332 | N | 96.8 | Very high | 96.9 | Very high | 93 Ų | 93 | 68.9 Ų | 68.9 | 50% | 0.497 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -129.5 | 61 | 178.6 | -58.7 | -76.8 | 0 | 0 | 0 | 110.7 | A292 K293 D294 S330 | A292-N332 CarbonylContact O-C 3.58Å; A292-N332 VanDerWaalsContact O-C 3.26Å; A292-N332 WeakPolarHBondContact O-CA 3.42Å; K293-N332 WeakPolarHBondContact CA-OD1 3.27Å; K293-N332 VanDerWaalsContact CB-OD1 3.23Å; K293-N332 WeakPolarHBondContact CB-OD1 3.29Å; D294-N332 PolarHBondContact N-OD1 2.77Å; S330-N332 VanDerWaalsContact OG-C 3.23Å; S330-N332 PolarHBondContact OG-N 3.09Å; S330-N332 VanDerWaalsContact OG-N 3.12Å; S330-N332 PolarHBondContact OG-O 2.99Å |
| 333 | P | 97.4 | Very high | 96.8 | Very high | 2 Ų | 2 | 62.8 Ų | 62.8 | 1% | 0.013 | 32% | 0.318 | C | S | . | . | trans | -74.5 | 137.3 | -173.2 | 31.5 | -38.9 | 0 | 0 | 0 | 112.9 | E291 A292 L295 P306 K327 L331 F335 | E291-P333 CarbonylContact C-O 3.13Å; E291-P333 WeakPolarHBondContact CA-O 3.28Å; E291-P333 WeakPolarHBondContact CB-O 3.36Å; A292-P333 HydrophobicContact CB-CG 3.92Å; A292-P333 PolarHBondContact N-O 3.14Å; A292-P333 WeakPolarHBondContact O-CD 3.12Å; L295-P333 HydrophobicContact CD1-CG 3.78Å; P306-P333 HydrophobicContact CB-CG 4.07Å; P306-P333 HydrophobicContact CG-CB 3.73Å; P306-P333 HydrophobicContact CG-CG 3.57Å; K327-P333 HydrophobicContact CB-CB 3.83Å; K327-P333 HydrophobicContact CG-CB 3.84Å; L331-P333 VanDerWaalsContact C-CD 3.4Å; P333-F335 HydrophobicContact CB-CD2 4.46Å; P333-F335 HydrophobicContact CB-CE1 4.42Å; P333-F335 HydrophobicContact CB-CE2 3.72Å; P333-F335 HydrophobicContact CB-CZ 3.68Å; P333-F335 HydrophobicContact CG-CE2 3.51Å; P333-F335 HydrophobicContact CG-CZ 3.68Å | ||
| 334 | Y | 98 | Very high | 96.7 | Very high | 134 Ų | 134 | 60.4 Ų | 60.4 | 53% | 0.525 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 122.5 | 167.7 | -176.7 | -100.6 | 0 | 0 | 0 | 110.7 | E291 K327 N336 | E291-Y334 HydrophobicContact CB-CD2 4.07Å; K327-Y334 WeakPolarHBondContact CE-O 3.28Å; K327-Y334 PolarHBondContact NZ-O 3.33Å; K327-Y334 VanDerWaalsContact NZ-O 3.13Å; Y334-N336 HydrophobicContact CD1-CB 4.47Å; Y334-N336 HydrophobicContact CE1-CB 3.65Å; Y334-N336 HydrophobicContact CE2-CB 4.31Å; Y334-N336 WeakPolarHBondContact OH-CB 3.29Å |
| 335 | F | 98.1 | Very high | 96.4 | Very high | 11 Ų | 11 | 64.8 Ų | 64.8 | 5% | 0.048 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | -60.9 | -177.2 | -61.2 | -81.6 | 0 | 0 | 0 | 111.8 | I289 L290 P306 V308 T324 K327 P333 E337 | I289-F335 HydrophobicContact CB-CB 4.48Å; I289-F335 HydrophobicContact CG2-CB 4.04Å; I289-F335 HydrophobicContact CG2-CD2 3.77Å; I289-F335 HydrophobicContact CG2-CE2 4.49Å; I289-F335 HydrophobicContact CG2-CG 4.03Å; L290-F335 WeakPolarHBondContact O-CA 3.41Å; L290-F335 PolarHBondContact O-N 3.05Å; P306-F335 HydrophobicContact CB-CZ 4.47Å; V308-F335 HydrophobicContact CG2-CD2 4.37Å; V308-F335 HydrophobicContact CG2-CE1 4.34Å; V308-F335 HydrophobicContact CG2-CE2 3.79Å; V308-F335 HydrophobicContact CG2-CZ 3.78Å; T324-F335 HydrophobicContact CG2-CD1 4.13Å; T324-F335 HydrophobicContact CG2-CG 4.45Å; T324-F335 WeakPolarHBondContact OG1-CE1 3.37Å; K327-F335 HydrophobicContact CG-CD1 3.96Å; K327-F335 HydrophobicContact CG-CE1 3.62Å; K327-F335 HydrophobicContact CG-CZ 4.21Å; P333-F335 HydrophobicContact CB-CD2 4.46Å; P333-F335 HydrophobicContact CB-CE1 4.42Å; P333-F335 HydrophobicContact CB-CE2 3.72Å; P333-F335 HydrophobicContact CB-CZ 3.68Å; P333-F335 HydrophobicContact CG-CE2 3.51Å; P333-F335 HydrophobicContact CG-CZ 3.68Å; F335-E337 VanDerWaalsContact C-N 3.35Å; F335-E337 HydrophobicContact CB-CG 4.4Å |
| 336 | N | 97.8 | Very high | 96.1 | Very high | 88 Ų | 88 | 67.5 Ų | 67.5 | 47% | 0.471 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 49.1 | 49.3 | -170 | -165.8 | 33.4 | 0 | 0 | 0 | 113.9 | I289 L290 Y334 | I289-N336 CarbonylContact O-C 3.57Å; I289-N336 WeakPolarHBondContact O-CA 3.34Å; I289-N336 PolarHBondContact O-N 3.27Å; L290-N336 PolarHBondContact O-N 2.92Å; Y334-N336 HydrophobicContact CD1-CB 4.47Å; Y334-N336 HydrophobicContact CE1-CB 3.65Å; Y334-N336 HydrophobicContact CE2-CB 4.31Å; Y334-N336 WeakPolarHBondContact OH-CB 3.29Å |
| 337 | E | 98.6 | Very high | 96 | Very high | 43 Ų | 43 | 66.2 Ų | 66.2 | 20% | 0.201 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 128.7 | -176.4 | -67.6 | -178.1 | -130.4 | 0 | 0 | 111.4 | V288 I289 T324 S325 F335 F339 | V288-E337 CarbonylContact C-O 3.53Å; V288-E337 WeakPolarHBondContact CA-O 3.41Å; I289-E337 PolarHBondContact N-O 3.2Å; I289-E337 PolarHBondContact O-N 3.11Å; T324-E337 WeakPolarHBondContact CA-OE2 3.21Å; T324-E337 WeakPolarHBondContact CB-OE1 3.23Å; T324-E337 HydrophobicContact CG2-CB 4.3Å; S325-E337 VanDerWaalsContact CB-OE1 3.29Å; S325-E337 WeakPolarHBondContact CB-OE1 3.46Å; S325-E337 PolarHBondContact N-OE1 2.88Å; S325-E337 PolarHBondContact N-OE2 2.75Å; S325-E337 PolarHBondContact OG-OE1 2.83Å; F335-E337 VanDerWaalsContact C-N 3.35Å; F335-E337 HydrophobicContact CB-CG 4.4Å; E337-F339 HydrophobicContact CB-CE2 4.13Å; E337-F339 HydrophobicContact CB-CZ 4.06Å |
| 338 | S | 98.2 | Very high | 95.9 | Very high | 74 Ų | 74 | 63.5 Ų | 63.5 | 52% | 0.517 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 131.8 | -175.8 | -177.8 | 0 | 0 | 0 | 0 | 112.5 | T286 | T286-S338 WeakPolarHBondContact CG2-OG 3.42Å |
| 339 | F | 98.3 | Very high | 95.8 | Very high | 23 Ų | 23 | 61.5 Ų | 61.5 | 10% | 0.101 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 126.2 | 177 | -54.7 | -73.3 | 0 | 0 | 0 | 110 | T286 V287 I289 V310 R322 I323 T324 E337 F341 | T286-F339 CarbonylContact C-O 3.57Å; T286-F339 WeakPolarHBondContact CA-O 3.45Å; V287-F339 PolarHBondContact N-O 2.97Å; V287-F339 PolarHBondContact O-N 2.8Å; I289-F339 HydrophobicContact CG1-CD2 4.24Å; I289-F339 HydrophobicContact CG1-CE2 3.88Å; V310-F339 HydrophobicContact CB-CD2 4.39Å; V310-F339 HydrophobicContact CG2-CD2 3.84Å; V310-F339 HydrophobicContact CG2-CE2 3.92Å; R322-F339 HydrophobicContact CB-CB 4.45Å; R322-F339 HydrophobicContact CB-CD1 3.38Å; R322-F339 HydrophobicContact CB-CE1 3.71Å; R322-F339 HydrophobicContact CB-CG 3.93Å; R322-F339 HydrophobicContact CG-CB 4.39Å; R322-F339 HydrophobicContact CG-CD1 3.75Å; R322-F339 HydrophobicContact CG-CE1 4.45Å; R322-F339 HydrophobicContact CG-CG 4.31Å; I323-F339 WeakPolarHBondContact O-CE1 3.36Å; I323-F339 WeakPolarHBondContact O-CZ 3.39Å; T324-F339 HydrophobicContact CG2-CE2 3.77Å; T324-F339 HydrophobicContact CG2-CZ 3.76Å; E337-F339 HydrophobicContact CB-CE2 4.13Å; E337-F339 HydrophobicContact CB-CZ 4.06Å; F339-F341 HydrophobicContact CB-CE2 3.81Å; F339-F341 HydrophobicContact CB-CZ 4.07Å |
| 340 | T | 98 | Very high | 95.8 | Very high | 69 Ų | 69 | 58.1 Ų | 58.1 | 42% | 0.423 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 134.4 | 177.4 | -61.7 | 0 | 0 | 0 | 0 | 110.8 | K284 L285 T286 | K284-T340 HydrophobicContact CB-CG2 4.16Å; K284-T340 HydrophobicContact CD-CG2 3.83Å; K284-T340 HydrophobicContact CG-CG2 4.34Å; L285-T340 WeakPolarHBondContact O-CA 3.18Å; T286-T340 PolarHBondContact OG1-OG1 3.44Å |
| 341 | F | 97.8 | Very high | 95.9 | Very high | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.009 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 136.3 | -179.8 | -56.8 | -85.5 | 0 | 0 | 0 | 110.8 | L285 V287 V310 L312 K320 R322 F339 V343 | L285-F341 PolarHBondContact N-O 2.74Å; L285-F341 PolarHBondContact O-N 3.18Å; V287-F341 HydrophobicContact CG2-CD2 4.36Å; V287-F341 HydrophobicContact CG2-CE2 4.15Å; V310-F341 HydrophobicContact CG1-CE2 3.94Å; V310-F341 HydrophobicContact CG1-CZ 3.98Å; L312-F341 HydrophobicContact CD1-CB 3.55Å; L312-F341 HydrophobicContact CD1-CD1 3.8Å; L312-F341 HydrophobicContact CD1-CD2 4.15Å; L312-F341 HydrophobicContact CD1-CG 3.57Å; L312-F341 HydrophobicContact CG-CD1 4.2Å; L312-F341 HydrophobicContact CG-CD2 4.42Å; L312-F341 HydrophobicContact CG-CE1 4.46Å; L312-F341 HydrophobicContact CG-CG 4.18Å; K320-F341 HydrophobicContact CB-CD1 3.66Å; K320-F341 HydrophobicContact CB-CE1 3.81Å; K320-F341 HydrophobicContact CD-CB 4.4Å; K320-F341 HydrophobicContact CD-CD1 3.86Å; K320-F341 HydrophobicContact CG-CD1 4.38Å; R322-F341 HydrophobicContact CB-CZ 4.27Å; R322-F341 HydrophobicContact CG-CE1 3.83Å; R322-F341 HydrophobicContact CG-CZ 3.81Å; F339-F341 HydrophobicContact CB-CE2 3.81Å; F339-F341 HydrophobicContact CB-CZ 4.07Å; F341-V343 HydrophobicContact CB-CG2 4.12Å; F341-V343 PolarHBondContact O-N 2.83Å |
| 342 | D | 96.9 | Very high | 96 | Very high | 81 Ų | 81 | 54.7 Ų | 54.7 | 43% | 0.433 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 117 | 168.7 | -34.6 | -69.9 | 0 | 0 | 0 | 109.6 | S283 K284 W319 K320 | S283-D342 CarbonylContact O-C 3.54Å; S283-D342 VanDerWaalsContact O-CA 3.28Å; S283-D342 WeakPolarHBondContact O-CA 3.18Å; K284-D342 WeakPolarHBondContact CE-OD1 3.49Å; K284-D342 IonicContact NZ-OD1 3.23Å; K284-D342 PolarHBondContact NZ-OD1 2.94Å; W319-D342 VanDerWaalsContact CH2-O 3.31Å; W319-D342 WeakPolarHBondContact CH2-O 3.46Å; K320-D342 PolarHBondContact NZ-O 2.81Å; K320-D342 IonicContact NZ-OD2 2.61Å; K320-D342 PolarHBondContact NZ-OD2 3.48Å |
| 343 | V | 96.7 | Very high | 96 | Very high | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.006 | 26% | 0.255 | C | S | . | . | trans | -141 | 110.3 | 179.9 | -175.2 | 0 | 0 | 0 | 0 | 107.4 | Y278 S283 L285 L312 W319 F341 Q347 I348 V351 | Y278-V343 HydrophobicContact CE2-CB 4.39Å; Y278-V343 VanDerWaalsContact CE2-O 3.27Å; Y278-V343 WeakPolarHBondContact CE2-O 3.03Å; Y278-V343 PolarHBondContact OH-O 2.83Å; S283-V343 CarbonylContact C-O 3.59Å; S283-V343 WeakPolarHBondContact CA-O 3.45Å; S283-V343 WeakPolarHBondContact CB-O 3.45Å; S283-V343 PolarHBondContact O-N 3.17Å; L285-V343 HydrophobicContact CB-CB 4.41Å; L285-V343 HydrophobicContact CB-CG2 4.06Å; L285-V343 HydrophobicContact CD2-CG2 4.36Å; L312-V343 HydrophobicContact CD1-CG2 3.71Å; W319-V343 HydrophobicContact CZ3-CG2 4.23Å; F341-V343 HydrophobicContact CB-CG2 4.12Å; F341-V343 PolarHBondContact O-N 2.83Å; V343-Q347 HydrophobicContact CG1-CB 3.84Å; V343-I348 HydrophobicContact CB-CD1 4.42Å; V343-I348 HydrophobicContact CG1-CB 4.1Å; V343-I348 HydrophobicContact CG1-CD1 3.77Å; V343-V351 HydrophobicContact CG1-CG1 4.12Å | ||
| 344 | S | 95.9 | Very high | 96 | Very high | 40 Ų | 40 | 50.2 Ų | 50.2 | 28% | 0.28 | 25% | 0.254 | S | S | . | . | trans | -71.5 | 165.8 | 176.7 | 72.6 | 0 | 0 | 0 | 0 | 111.7 | Y278 D346 Q347 I348 | Y278-S344 VanDerWaalsContact OH-C 3.23Å; Y278-S344 PolarHBondContact OH-O 2.83Å; S344-D346 PolarHBondContact O-N 2.94Å; S344-Q347 PolarHBondContact O-N 3Å; S344-Q347 WeakPolarHBondContact OG-CG 3.33Å; S344-I348 PolarHBondContact O-N 2.81Å | ||
| 345 | L | 90.8 | Very high | 96 | Very high | 98 Ų | 98 | 43.8 Ų | 43.8 | 51% | 0.513 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -57.9 | -38 | -179.9 | -167.2 | 74.2 | 0 | 0 | 0 | 111.8 | Y278 P280 Q347 I348 | Y278-L345 HydrophobicContact CE1-CD1 4.28Å; Y278-L345 PolarHBondContact OH-N 2.87Å; P280-L345 HydrophobicContact CB-CD1 4.43Å; L345-Q347 VanDerWaalsContact C-N 3.26Å; L345-Q347 PolarHBondContact O-N 3.5Å; L345-I348 HydrophobicContact CD1-CG2 4.46Å; L345-I348 VanDerWaalsContact O-CG2 3.26Å; L345-I348 WeakPolarHBondContact O-CG2 3.39Å; L345-I348 PolarHBondContact O-N 2.93Å |
| 346 | D | 92.1 | Very high | 96 | Very high | 109 Ų | 109 | 43.7 Ų | 43.7 | 58% | 0.583 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -67.8 | -28.3 | 176.2 | -54.1 | -56.8 | 0 | 0 | 0 | 112.8 | S344 R350 | S344-D346 PolarHBondContact O-N 2.94Å; D346-R350 PolarHBondContact O-NH1 3.1Å |
| 347 | Q | 94.9 | Very high | 96 | Very high | 47 Ų | 47 | 39.5 Ų | 39.5 | 22% | 0.22 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -85 | -29.9 | -179.2 | -56.6 | -57.6 | -25.3 | 0 | 0 | 111.8 | L314 V343 S344 L345 Q349 R350 V351 | L314-Q347 HydrophobicContact CD1-CB 4.47Å; V343-Q347 HydrophobicContact CG1-CB 3.84Å; S344-Q347 PolarHBondContact O-N 3Å; S344-Q347 WeakPolarHBondContact OG-CG 3.33Å; L345-Q347 VanDerWaalsContact C-N 3.26Å; L345-Q347 PolarHBondContact O-N 3.5Å; Q347-Q349 PolarHBondContact O-N 3.17Å; Q347-R350 VanDerWaalsContact NE2-NH2 3.19Å; Q347-R350 PolarHBondContact O-N 3.46Å; Q347-V351 WeakPolarHBondContact O-CB 2.95Å; Q347-V351 PolarHBondContact O-N 2.95Å |
| 348 | I | 94.4 | Very high | 95.9 | Very high | 4 Ų | 4 | 39.9 Ų | 39.9 | 2% | 0.021 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.2 | -27.3 | -175.9 | -157.6 | 63.7 | 0 | 0 | 0 | 112.4 | Y278 L285 V343 S344 L345 V351 W386 M389 L390 | Y278-I348 HydrophobicContact CD1-CG1 4.35Å; Y278-I348 HydrophobicContact CD2-CD1 3.94Å; Y278-I348 HydrophobicContact CD2-CG1 4.37Å; Y278-I348 HydrophobicContact CE1-CB 4.38Å; Y278-I348 HydrophobicContact CE1-CG1 4.2Å; Y278-I348 HydrophobicContact CE1-CG2 4.33Å; Y278-I348 HydrophobicContact CE2-CD1 3.95Å; Y278-I348 HydrophobicContact CE2-CG1 4.25Å; Y278-I348 HydrophobicContact CG-CD1 4.37Å; Y278-I348 HydrophobicContact CG-CG1 4.44Å; L285-I348 HydrophobicContact CD2-CD1 4.25Å; V343-I348 HydrophobicContact CB-CD1 4.42Å; V343-I348 HydrophobicContact CG1-CB 4.1Å; V343-I348 HydrophobicContact CG1-CD1 3.77Å; S344-I348 PolarHBondContact O-N 2.81Å; L345-I348 HydrophobicContact CD1-CG2 4.46Å; L345-I348 VanDerWaalsContact O-CG2 3.26Å; L345-I348 WeakPolarHBondContact O-CG2 3.39Å; L345-I348 PolarHBondContact O-N 2.93Å; I348-V351 HydrophobicContact CD1-CG1 4Å; I348-W386 HydrophobicContact CD1-CH2 3.86Å; I348-W386 HydrophobicContact CD1-CZ2 3.63Å; I348-W386 HydrophobicContact CG1-CZ2 3.96Å; I348-M389 HydrophobicContact CD1-CE 4.41Å; I348-L390 HydrophobicContact CG1-CD2 3.78Å; I348-L390 HydrophobicContact CG2-CD2 4.25Å |
| 349 | Q | 90.9 | Very high | 95.7 | Very high | 128 Ų | 128 | 36.4 Ų | 36.4 | 60% | 0.598 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -23.4 | 177.4 | -63.6 | -179.5 | -1.4 | 0 | 0 | 113.5 | Q347 | Q347-Q349 PolarHBondContact O-N 3.17Š|
| 350 | R | 92.8 | Very high | 95.5 | Very high | 97 Ų | 97 | 38 Ų | 38 | 37% | 0.366 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.2 | -8.4 | -177.7 | -61.5 | -165.9 | -56.1 | -72.8 | -9.2 | 113.7 | L314 D315 D346 Q347 | L314-R350 HydrophobicContact CD1-CB 3.85Å; D315-R350 VanDerWaalsContact OD1-CD 3.3Å; D315-R350 WeakPolarHBondContact OD1-CD 3.49Å; D315-R350 IonicContact OD1-NE 2.83Å; D315-R350 PolarHBondContact OD1-NE 3.15Å; D315-R350 IonicContact OD2-NE 3.53Å; D346-R350 PolarHBondContact O-NH1 3.1Å; Q347-R350 VanDerWaalsContact NE2-NH2 3.19Å; Q347-R350 PolarHBondContact O-N 3.46Å |
| 351 | V | 95.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 136.5 | 178.6 | 79.8 | 0 | 0 | 0 | 0 | 109.7 | L312 T313 L314 V343 Q347 I348 W386 | L312-V351 HydrophobicContact CB-CG2 3.94Å; L312-V351 HydrophobicContact CD1-CG2 4.37Å; L312-V351 HydrophobicContact CD2-CG2 4.05Å; L312-V351 HydrophobicContact CG-CG2 4.34Å; T313-V351 CarbonylContact O-C 3.55Å; T313-V351 WeakPolarHBondContact O-CA 3.5Å; T313-V351 WeakPolarHBondContact O-CG2 3.12Å; L314-V351 HydrophobicContact CD1-CB 4.45Å; V343-V351 HydrophobicContact CG1-CG1 4.12Å; Q347-V351 WeakPolarHBondContact O-CB 2.95Å; Q347-V351 PolarHBondContact O-N 2.95Å; I348-V351 HydrophobicContact CD1-CG1 4Å; V351-W386 HydrophobicContact CG1-CH2 3.89Å; V351-W386 HydrophobicContact CG1-CZ2 3.84Å |
| 352 | N | 95.7 | Very high | 94.3 | Very high | 4 Ų | 4 | 40.1 Ų | 40.1 | 2% | 0.021 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 122.7 | 167.9 | -75.6 | -70.7 | 0 | 0 | 0 | 108 | T313 L374 D377 L413 | T313-N352 PolarHBondContact N-O 3.45Å; T313-N352 PolarHBondContact O-N 3.3Å; T313-N352 VanDerWaalsContact OG1-CB 3.29Å; T313-N352 WeakPolarHBondContact OG1-CB 3.46Å; T313-N352 PolarHBondContact OG1-O 3.35Å; N352-L374 CarbonylContact C-O 3.24Å; N352-L374 VanDerWaalsContact CA-O 3.28Å; N352-L374 WeakPolarHBondContact CA-O 3.15Å; N352-D377 PolarHBondContact ND2-OD2 3.37Å; N352-L413 HydrophobicContact CB-CD2 3.96Å |
| 353 | L | 97.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 120.1 | 170.5 | 171.5 | 61.8 | 0 | 0 | 0 | 109 | L276 V287 V310 L312 I355 F373 L374 W386 | L276-L353 HydrophobicContact CD1-CD2 4.4Å; L276-L353 HydrophobicContact CD2-CD2 3.49Å; L276-L353 VanDerWaalsContact CD2-CD2 3.49Å; V287-L353 HydrophobicContact CG1-CD2 4.29Å; V287-L353 HydrophobicContact CG2-CD1 4.19Å; V287-L353 HydrophobicContact CG2-CD2 3.85Å; V310-L353 HydrophobicContact CG1-CD1 3.68Å; L312-L353 HydrophobicContact CD2-CB 4.11Å; L312-L353 HydrophobicContact CD2-CD1 3.77Å; L353-I355 HydrophobicContact CD1-CG1 4.37Å; L353-I355 HydrophobicContact CD2-CD1 4.26Å; L353-I355 HydrophobicContact CG-CD1 4.47Å; L353-I355 HydrophobicContact CG-CG1 4.21Å; L353-F373 CarbonylContact O-C 3.58Å; L353-F373 WeakPolarHBondContact O-CA 3.25Å; L353-L374 HydrophobicContact CD2-CD1 4.17Å; L353-L374 HydrophobicContact CG-CD1 4.31Å; L353-L374 PolarHBondContact N-O 2.87Å; L353-L374 PolarHBondContact O-N 3.11Å; L353-W386 HydrophobicContact CB-CH2 4.42Å; L353-W386 HydrophobicContact CB-CZ3 3.87Å; L353-W386 HydrophobicContact CD2-CZ3 4.33Å |
| 354 | V | 97.3 | Very high | 93 | Very high | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.006 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 117.5 | -179.7 | 179.8 | 0 | 0 | 0 | 0 | 109.1 | Q311 T313 K371 F373 L413 | Q311-V354 HydrophobicContact CB-CB 4.37Å; Q311-V354 PolarHBondContact N-O 2.96Å; Q311-V354 WeakPolarHBondContact O-CA 3.27Å; Q311-V354 WeakPolarHBondContact O-CB 3.47Å; Q311-V354 PolarHBondContact O-N 2.81Å; T313-V354 HydrophobicContact CG2-CG2 4.04Å; V354-K371 HydrophobicContact CG1-CD 4.25Å; V354-K371 HydrophobicContact CG1-CG 4.25Å; V354-F373 HydrophobicContact CG2-CB 4.1Å; V354-L413 HydrophobicContact CG2-CD1 3.78Å |
| 355 | I | 98.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 127.9 | 176.3 | -63.1 | 176.4 | 0 | 0 | 0 | 107.4 | I272 F274 I289 V308 L353 K371 L372 L374 | I272-I355 HydrophobicContact CD1-CG2 3.9Å; F274-I355 HydrophobicContact CD1-CD1 3.63Å; F274-I355 HydrophobicContact CD2-CD1 3.65Å; F274-I355 HydrophobicContact CE1-CD1 3.6Å; F274-I355 HydrophobicContact CE2-CD1 3.62Å; F274-I355 HydrophobicContact CG-CD1 3.67Å; F274-I355 HydrophobicContact CZ-CD1 3.62Å; I289-I355 HydrophobicContact CD1-CD1 4.23Å; V308-I355 HydrophobicContact CG1-CG2 3.62Å; L353-I355 HydrophobicContact CD1-CG1 4.37Å; L353-I355 HydrophobicContact CD2-CD1 4.26Å; L353-I355 HydrophobicContact CG-CD1 4.47Å; L353-I355 HydrophobicContact CG-CG1 4.21Å; I355-K371 CarbonylContact O-C 3.26Å; I355-K371 WeakPolarHBondContact O-CA 3.33Å; I355-K371 WeakPolarHBondContact O-CG 3.49Å; I355-L372 HydrophobicContact CB-CD1 4.11Å; I355-L372 HydrophobicContact CB-CG 4.22Å; I355-L372 HydrophobicContact CD1-CD1 4.43Å; I355-L372 PolarHBondContact N-O 2.88Å; I355-L372 PolarHBondContact O-N 2.89Å; I355-L372 VanDerWaalsContact O-O 3.09Å; I355-L374 HydrophobicContact CD1-CD1 4.25Å |
| 356 | S | 97.4 | Very high | 92.6 | Very high | 9 Ų | 9 | 54.2 Ų | 54.2 | 6% | 0.063 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 131.8 | 176.6 | 51.2 | 0 | 0 | 0 | 0 | 110.8 | V308 K309 W358 G370 | V308-S356 CarbonylContact C-O 3.26Å; V308-S356 WeakPolarHBondContact CA-O 3.05Å; K309-S356 PolarHBondContact N-O 3.31Å; K309-S356 PolarHBondContact O-N 3.22Å; K309-S356 PolarHBondContact O-OG 2.98Å; S356-W358 VanDerWaalsContact CB-NE1 3.31Å; S356-W358 PolarHBondContact OG-NE1 3.08Å; S356-G370 CarbonylContact C-O 3.51Å; S356-G370 WeakPolarHBondContact CA-O 3.38Å |
| 357 | V | 97.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 133.7 | 176.3 | -171.4 | 0 | 0 | 0 | 0 | 108.2 | I272 L295 P306 V308 M369 G370 L403 | I272-V357 HydrophobicContact CD1-CG2 3.84Å; L295-V357 HydrophobicContact CD1-CG1 4.04Å; L295-V357 HydrophobicContact CD2-CG1 4.21Å; P306-V357 HydrophobicContact CB-CG1 4.33Å; V308-V357 HydrophobicContact CG2-CG2 4.25Å; V357-M369 HydrophobicContact CG1-SD 3.79Å; V357-M369 PolarHBondContact O-N 3.47Å; V357-M369 VanDerWaalsContact O-N 3.11Å; V357-G370 PolarHBondContact N-O 3.33Å; V357-G370 PolarHBondContact O-N 2.94Å; V357-L403 HydrophobicContact CB-CD1 4.21Å; V357-L403 HydrophobicContact CG2-CD1 3.82Å; V357-L403 HydrophobicContact CG2-CD2 3.78Å; V357-L403 HydrophobicContact CG2-CG 4.48Å |
| 358 | W | 96.7 | Very high | 92.3 | Very high | 51 Ų | 51 | 51.9 Ų | 51.9 | 19% | 0.193 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 148.3 | -173.7 | -69.1 | 74.5 | 0 | 0 | 0 | 109.9 | P306 Y307 K309 S356 N366 D367 | P306-W358 CarbonylContact C-O 3.59Å; P306-W358 VanDerWaalsContact CA-O 3.3Å; P306-W358 WeakPolarHBondContact CA-O 3.3Å; Y307-W358 HydrophobicContact CD1-CB 3.88Å; Y307-W358 WeakPolarHBondContact CD1-O 3.38Å; Y307-W358 HydrophobicContact CE1-CB 3.25Å; Y307-W358 HydrophobicContact CE1-CG 4.28Å; Y307-W358 HydrophobicContact CE2-CB 4.04Å; Y307-W358 HydrophobicContact CE2-CG 4.38Å; Y307-W358 HydrophobicContact CG-CB 4.47Å; Y307-W358 AromaticContact CZ-CG 3.88Å; Y307-W358 PolarHBondContact N-O 3.31Å; Y307-W358 PolarHBondContact O-N 2.86Å; Y307-W358 WeakPolarHBondContact OH-CB 3.26Å; K309-W358 HydrophobicContact CD-CD2 4.25Å; K309-W358 HydrophobicContact CD-CG 4.21Å; K309-W358 HydrophobicContact CD-CZ2 4.28Å; K309-W358 HydrophobicContact CG-CG 4.46Å; K309-W358 VanDerWaalsContact NZ-CE3 3.31Å; S356-W358 VanDerWaalsContact CB-NE1 3.31Å; S356-W358 PolarHBondContact OG-NE1 3.08Å; W358-N366 HydrophobicContact CE3-CB 4.33Å; W358-D367 CarbonylContact C-O 3.46Å; W358-D367 VanDerWaalsContact CA-O 3.27Å; W358-D367 WeakPolarHBondContact CA-O 3.48Å |
| 359 | D | 94.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 142.1 | 167.3 | -151.6 | -17 | 0 | 0 | 0 | 110.3 | M298 S304 D305 N366 D367 M369 | M298-D359 HydrophobicContact CB-CB 4.29Å; M298-D359 VanDerWaalsContact CB-OD2 3.29Å; M298-D359 WeakPolarHBondContact CB-OD2 3.33Å; M298-D359 HydrophobicContact CG-CB 4.25Å; S304-D359 WeakPolarHBondContact CA-OD2 3.38Å; S304-D359 WeakPolarHBondContact CB-OD2 3.37Å; S304-D359 PolarHBondContact OG-OD2 3.24Å; D305-D359 WeakPolarHBondContact CA-OD1 3.44Å; D305-D359 PolarHBondContact N-OD1 2.56Å; D359-N366 VanDerWaalsContact O-CA 3.29Å; D359-N366 WeakPolarHBondContact O-CA 3.41Å; D359-N366 WeakPolarHBondContact O-CB 3.33Å; D359-D367 HydrophobicContact CB-CB 4.18Å; D359-D367 PolarHBondContact N-O 3.26Å; D359-D367 PolarHBondContact O-N 2.84Å; D359-M369 HydrophobicContact CB-CE 3.49Å; D359-M369 VanDerWaalsContact CB-CE 3.49Å |
| 360 | H | 92.9 | Very high | 92.3 | Very high | 58 Ų | 58 | 46 Ų | 46 | 27% | 0.269 | 23% | 0.234 | S | C | . | . | trans | -105.1 | 103.8 | 176 | 176.2 | -76.9 | 0 | 0 | 0 | 110.9 | D305 Y307 I326 | D305-H360 HydrophobicContact CB-CB 4.16Å; D305-H360 PolarHBondContact O-N 3.45Å; Y307-H360 HydrophobicContact CD1-CB 3.95Å; Y307-H360 HydrophobicContact CE1-CB 4.02Å; I326-H360 HydrophobicContact CD1-CB 4.06Å; I326-H360 WeakPolarHBondContact CD1-CD2 3.34Å; I326-H360 HydrophobicContact CG1-CB 4.2Å; I326-H360 HydrophobicContact CG2-CB 3.9Å | ||
| 361 | D | 89.9 | Confident | 92.4 | Very high | 28 Ų | 28 | 42.4 Ų | 42.4 | 15% | 0.15 | 22% | 0.222 | C | C | . | . | trans | -90.5 | 123.9 | 171.6 | -59.2 | -83.3 | 0 | 0 | 0 | 111.9 | M363 S364 N366 D367 | D361-M363 VanDerWaalsContact C-N 3.33Å; D361-M363 PolarHBondContact O-N 3.41Å; D361-S364 WeakPolarHBondContact CB-OG 3.38Å; D361-N366 WeakPolarHBondContact OD2-CA 3.4Å; D361-D367 PolarHBondContact OD2-N 2.97Å | ||
| 362 | A | 82.1 | Confident | 92.5 | Very high | 87 Ų | 87 | 42.5 Ų | 42.5 | 72% | 0.719 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -68.8 | -31.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 363 | M | 80.1 | Confident | 92.5 | Very high | 190 Ų | 190 | 43.3 Ų | 43.3 | 94% | 0.936 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -116.3 | -1 | -172 | -63.4 | -62.3 | -71.2 | 0 | 0 | 113.2 | D361 | D361-M363 VanDerWaalsContact C-N 3.33Å; D361-M363 PolarHBondContact O-N 3.41Å |
| 364 | S | 84.8 | Confident | 92.5 | Very high | 68 Ų | 68 | 43.3 Ų | 43.3 | 48% | 0.476 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -132.5 | -178.2 | -176.5 | 106.6 | 0 | 0 | 0 | 0 | 109.7 | D361 | D361-S364 WeakPolarHBondContact CB-OG 3.38Š|
| 365 | R | 88.2 | Confident | 92.3 | Very high | 212 Ų | 212 | 43.3 Ų | 43.3 | 80% | 0.8 | 23% | 0.225 | S | C | * | . | trans | -84 | 125.5 | 174.5 | 175.5 | -178.5 | 173.2 | 178.9 | -3.7 | 108.4 | D367 | R365-D367 PolarHBondContact O-N 3.28Š| ||
| 366 | N | 90.8 | Very high | 92 | Very high | 45 Ų | 45 | 46.2 Ų | 46.2 | 24% | 0.241 | 25% | 0.245 | C | C | . | . | trans | -43.4 | 123.8 | 174 | -58.5 | 48.5 | 0 | 0 | 0 | 113.4 | Y307 W358 D359 D361 | Y307-N366 WeakPolarHBondContact CE1-ND2 3.16Å; Y307-N366 PolarHBondContact OH-ND2 2.94Å; W358-N366 HydrophobicContact CE3-CB 4.33Å; D359-N366 VanDerWaalsContact O-CA 3.29Å; D359-N366 WeakPolarHBondContact O-CA 3.41Å; D359-N366 WeakPolarHBondContact O-CB 3.33Å; D361-N366 WeakPolarHBondContact OD2-CA 3.4Å | ||
| 367 | D | 89.1 | Confident | 91.7 | Very high | 65 Ų | 65 | 50.6 Ų | 50.6 | 35% | 0.348 | 27% | 0.268 | S | S | . | . | trans | -83.1 | 144.1 | 179.9 | -77.8 | -34.1 | 0 | 0 | 0 | 113.4 | M298 W358 D359 D361 R365 | M298-D367 HydrophobicContact CE-CB 3.86Å; W358-D367 CarbonylContact C-O 3.46Å; W358-D367 VanDerWaalsContact CA-O 3.27Å; W358-D367 WeakPolarHBondContact CA-O 3.48Å; D359-D367 HydrophobicContact CB-CB 4.18Å; D359-D367 PolarHBondContact N-O 3.26Å; D359-D367 PolarHBondContact O-N 2.84Å; D361-D367 PolarHBondContact OD2-N 2.97Å; R365-D367 PolarHBondContact O-N 3.28Å | ||
| 368 | S | 91.4 | Very high | 91.4 | Very high | 43 Ų | 43 | 50.9 Ų | 50.9 | 30% | 0.301 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 111 | 175.6 | 175.5 | 0 | 0 | 0 | 0 | 108.6 | ||
| 369 | M | 91.8 | Very high | 91.2 | Very high | 7 Ų | 7 | 53.7 Ų | 53.7 | 3% | 0.034 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | -59.2 | 176.7 | -59.7 | 177.1 | -166 | 0 | 0 | 110.7 | L295 M298 S304 P306 V357 D359 | L295-M369 HydrophobicContact CB-SD 4.35Å; L295-M369 HydrophobicContact CD1-SD 4.22Å; M298-M369 HydrophobicContact CG-CG 3.85Å; M298-M369 HydrophobicContact SD-CG 4.43Å; S304-M369 WeakPolarHBondContact OG-CE 3.29Å; P306-M369 HydrophobicContact CB-CE 4Å; V357-M369 HydrophobicContact CG1-SD 3.79Å; V357-M369 PolarHBondContact O-N 3.47Å; V357-M369 VanDerWaalsContact O-N 3.11Å; D359-M369 HydrophobicContact CB-CE 3.49Å; D359-M369 VanDerWaalsContact CB-CE 3.49Å |
| 370 | G | 94.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.2 | 160 | -167.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | S356 V357 L404 | S356-G370 CarbonylContact C-O 3.51Å; S356-G370 WeakPolarHBondContact CA-O 3.38Å; V357-G370 PolarHBondContact N-O 3.33Å; V357-G370 PolarHBondContact O-N 2.94Å; G370-L404 CarbonylContact C-O 3.6Å |
| 371 | K | 95.4 | Very high | 91.3 | Very high | 23 Ų | 23 | 56.4 Ų | 56.4 | 10% | 0.1 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 152.4 | -172.4 | -171.8 | 173 | -178.3 | -172.4 | 0 | 110.7 | V354 I355 L404 A406 V409 N410 | V354-K371 HydrophobicContact CG1-CD 4.25Å; V354-K371 HydrophobicContact CG1-CG 4.25Å; I355-K371 CarbonylContact O-C 3.26Å; I355-K371 WeakPolarHBondContact O-CA 3.33Å; I355-K371 WeakPolarHBondContact O-CG 3.49Å; K371-L404 PolarHBondContact N-O 2.98Å; K371-L404 CarbonylContact O-C 3.54Å; K371-L404 WeakPolarHBondContact O-CA 3.39Å; K371-L404 WeakPolarHBondContact O-CB 3.28Å; K371-L404 PolarHBondContact O-N 2.75Å; K371-L404 VanDerWaalsContact O-O 3.07Å; K371-A406 HydrophobicContact CD-CB 4.48Å; K371-V409 HydrophobicContact CB-CB 4.43Å; K371-V409 HydrophobicContact CB-CG2 4.15Å; K371-V409 HydrophobicContact CD-CB 4.09Å; K371-V409 HydrophobicContact CD-CG1 3.9Å; K371-V409 HydrophobicContact CG-CB 4.08Å; K371-V409 HydrophobicContact CG-CG1 3.89Å; K371-V409 HydrophobicContact CG-CG2 4.16Å; K371-V409 WeakPolarHBondContact O-CG2 3.26Å; K371-N410 PolarHBondContact NZ-OD1 3.39Å |
| 372 | L | 96.2 | Very high | 91.6 | Very high | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 167.8 | 168.5 | 62.1 | 95 | 0 | 0 | 0 | 110.1 | I272 F274 I355 L374 H401 L403 | I272-L372 HydrophobicContact CG2-CD2 3.57Å; F274-L372 HydrophobicContact CE1-CD1 4.13Å; F274-L372 HydrophobicContact CE1-CD2 4.44Å; F274-L372 HydrophobicContact CZ-CD1 4.1Å; I355-L372 HydrophobicContact CB-CD1 4.11Å; I355-L372 HydrophobicContact CB-CG 4.22Å; I355-L372 HydrophobicContact CD1-CD1 4.43Å; I355-L372 PolarHBondContact N-O 2.88Å; I355-L372 PolarHBondContact O-N 2.89Å; I355-L372 VanDerWaalsContact O-O 3.09Å; L372-L374 HydrophobicContact CD1-CD1 3.38Å; L372-L374 HydrophobicContact CD1-CG 4.23Å; L372-H401 HydrophobicContact CD2-CB 3.58Å; L372-L403 HydrophobicContact CD2-CD2 4.05Å |
| 373 | F | 96.4 | Very high | 92.3 | Very high | 22 Ų | 22 | 55.8 Ų | 55.8 | 10% | 0.096 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 151.5 | 172 | 78.7 | -78.5 | 0 | 0 | 0 | 111.1 | L353 V354 D377 Q382 V409 L413 | L353-F373 CarbonylContact O-C 3.58Å; L353-F373 WeakPolarHBondContact O-CA 3.25Å; V354-F373 HydrophobicContact CG2-CB 4.1Å; F373-D377 HydrophobicContact CE2-CB 4.5Å; F373-Q382 WeakPolarHBondContact O-CB 3.48Å; F373-Q382 WeakPolarHBondContact O-CG 3.42Å; F373-V409 HydrophobicContact CB-CG1 4.27Å; F373-V409 HydrophobicContact CD1-CG1 3.79Å; F373-V409 HydrophobicContact CG-CG1 4.42Å; F373-L413 HydrophobicContact CB-CD1 4.01Å; F373-L413 HydrophobicContact CB-CD2 4.2Å; F373-L413 HydrophobicContact CB-CG 4.34Å; F373-L413 HydrophobicContact CD1-CD1 4.39Å; F373-L413 HydrophobicContact CD1-CD2 4.28Å; F373-L413 HydrophobicContact CD1-CG 4.04Å; F373-L413 HydrophobicContact CD2-CD2 3.4Å; F373-L413 HydrophobicContact CD2-CG 4.08Å; F373-L413 HydrophobicContact CE1-CG 4.34Å; F373-L413 HydrophobicContact CE2-CD2 3.72Å; F373-L413 HydrophobicContact CE2-CG 4.37Å; F373-L413 HydrophobicContact CG-CD1 4.1Å; F373-L413 HydrophobicContact CG-CD2 3.69Å; F373-L413 HydrophobicContact CG-CG 3.88Å; F373-L413 HydrophobicContact CZ-CD2 4.28Å; F373-L413 HydrophobicContact CZ-CG 4.49Å |
| 374 | L | 96.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 148.1 | 175.1 | -53.6 | 95.4 | 0 | 0 | 0 | 108.7 | F274 L276 N352 L353 I355 L372 Q382 H385 W386 | F274-L374 HydrophobicContact CE2-CD1 3.85Å; F274-L374 HydrophobicContact CE2-CD2 3.94Å; F274-L374 HydrophobicContact CZ-CD1 3.54Å; F274-L374 HydrophobicContact CZ-CD2 3.78Å; F274-L374 HydrophobicContact CZ-CG 4.29Å; L276-L374 HydrophobicContact CD1-CD2 4.06Å; N352-L374 CarbonylContact C-O 3.24Å; N352-L374 VanDerWaalsContact CA-O 3.28Å; N352-L374 WeakPolarHBondContact CA-O 3.15Å; L353-L374 HydrophobicContact CD2-CD1 4.17Å; L353-L374 HydrophobicContact CG-CD1 4.31Å; L353-L374 PolarHBondContact N-O 2.87Å; L353-L374 PolarHBondContact O-N 3.11Å; I355-L374 HydrophobicContact CD1-CD1 4.25Å; L372-L374 HydrophobicContact CD1-CD1 3.38Å; L372-L374 HydrophobicContact CD1-CG 4.23Å; L374-Q382 HydrophobicContact CD2-CB 4.47Å; L374-Q382 HydrophobicContact CG-CB 4.18Å; L374-H385 HydrophobicContact CD2-CB 3.83Å; L374-W386 HydrophobicContact CB-CD2 4.48Å; L374-W386 HydrophobicContact CB-CE3 3.79Å; L374-W386 HydrophobicContact CB-CZ3 4.45Å |
| 375 | G | 94.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | S | Bend | trans | 158.8 | 177.9 | -177 | 0 | 0 | 0 | 0 | 0 | 110 | D377 S378 | G375-D377 PolarHBondContact O-N 3.17Å; G375-S378 PolarHBondContact N-OG 2.83Å; G375-S378 WeakPolarHBondContact O-CB 3.28Å; G375-S378 PolarHBondContact O-N 3.32Å; G375-S378 VanDerWaalsContact O-N 3.08Å; G375-S378 PolarHBondContact O-OG 3.5Å |
| 376 | C | 91.7 | Very high | 94.2 | Very high | 61 Ų | 61 | 39.6 Ų | 39.6 | 41% | 0.412 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -22.3 | 177.2 | -63.5 | 0 | 0 | 0 | 0 | 113 | S378 | C376-S378 VanDerWaalsContact C-N 3.34Š|
| 377 | D | 89.9 | Confident | 94.5 | Very high | 101 Ų | 101 | 39.3 Ų | 39.3 | 54% | 0.54 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | -1 | 177.8 | -54.5 | -35.1 | 0 | 0 | 0 | 113.5 | N352 F373 G375 | N352-D377 PolarHBondContact ND2-OD2 3.37Å; F373-D377 HydrophobicContact CE2-CB 4.5Å; G375-D377 PolarHBondContact O-N 3.17Å |
| 378 | S | 92.9 | Very high | 94.9 | Very high | 6 Ų | 6 | 38.4 Ų | 38.4 | 4% | 0.042 | 22% | 0.223 | C | C | . | . | trans | -82.3 | 170.5 | 179.9 | 67.5 | 0 | 0 | 0 | 0 | 111.7 | G375 C376 L383 | G375-S378 PolarHBondContact N-OG 2.83Å; G375-S378 WeakPolarHBondContact O-CB 3.28Å; G375-S378 PolarHBondContact O-N 3.32Å; G375-S378 VanDerWaalsContact O-N 3.08Å; G375-S378 PolarHBondContact O-OG 3.5Å; C376-S378 VanDerWaalsContact C-N 3.34Å; S378-L383 WeakPolarHBondContact OG-CA 3.25Å; S378-L383 PolarHBondContact OG-N 3.39Å; S378-L383 VanDerWaalsContact OG-N 3.13Å | ||
| 379 | T | 92.4 | Very high | 95.2 | Very high | 110 Ų | 110 | 36.3 Ų | 36.3 | 68% | 0.675 | 21% | 0.209 | S | C | * | . | trans | -130.8 | 167.6 | 179.9 | 55.6 | 0 | 0 | 0 | 0 | 110.5 | N381 Q382 L383 | T379-N381 PolarHBondContact O-N 3.12Å; T379-Q382 PolarHBondContact O-N 3.44Å; T379-Q382 PolarHBondContact O-OE1 3.24Å; T379-L383 PolarHBondContact O-N 2.81Å | ||
| 380 | G | 94.1 | Very high | 95.4 | Very high | 59 Ų | 59 | 39.1 Ų | 39.1 | 61% | 0.608 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | 57.1 | -134.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q382 L383 R384 | G380-Q382 VanDerWaalsContact C-N 3.29Å; G380-Q382 PolarHBondContact O-N 3Å; G380-L383 PolarHBondContact O-N 3.48Å; G380-R384 PolarHBondContact O-N 2.89Å; G380-R384 VanDerWaalsContact O-N 3.09Å |
| 381 | N | 95.5 | Very high | 95.4 | Very high | 56 Ų | 56 | 43.3 Ų | 43.3 | 30% | 0.299 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.9 | -33.3 | -176 | -168.8 | 43.6 | 0 | 0 | 0 | 112.8 | T379 R384 H385 W400 H401 | T379-N381 PolarHBondContact O-N 3.12Å; N381-R384 PolarHBondContact O-N 2.88Å; N381-R384 PolarHBondContact OD1-NE 2.88Å; N381-R384 PolarHBondContact OD1-NH2 3.45Å; N381-H385 WeakPolarHBondContact O-CB 3.16Å; N381-H385 PolarHBondContact O-N 3.09Å; N381-W400 PolarHBondContact ND2-O 3.26Å; N381-H401 PolarHBondContact ND2-CE1 3.46Å; N381-H401 PolarHBondContact ND2-ND1 3.02Å |
| 382 | Q | 96.6 | Very high | 95.3 | Very high | 32 Ų | 32 | 45.1 Ų | 45.1 | 15% | 0.15 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.5 | -43 | 178.6 | -64.9 | 83.2 | -5.5 | 0 | 0 | 111.5 | F373 L374 T379 G380 W386 | F373-Q382 WeakPolarHBondContact O-CB 3.48Å; F373-Q382 WeakPolarHBondContact O-CG 3.42Å; L374-Q382 HydrophobicContact CD2-CB 4.47Å; L374-Q382 HydrophobicContact CG-CB 4.18Å; T379-Q382 PolarHBondContact O-N 3.44Å; T379-Q382 PolarHBondContact O-OE1 3.24Å; G380-Q382 VanDerWaalsContact C-N 3.29Å; G380-Q382 PolarHBondContact O-N 3Å; Q382-W386 PolarHBondContact O-N 3.13Å; Q382-W386 VanDerWaalsContact O-N 3.16Å |
| 383 | L | 96.5 | Very high | 95 | Very high | 71 Ų | 71 | 47.9 Ų | 47.9 | 37% | 0.372 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -66.4 | -43.5 | 176 | -179.4 | 61.1 | 0 | 0 | 0 | 111.1 | S378 T379 G380 H385 W386 A387 | S378-L383 WeakPolarHBondContact OG-CA 3.25Å; S378-L383 PolarHBondContact OG-N 3.39Å; S378-L383 VanDerWaalsContact OG-N 3.13Å; T379-L383 PolarHBondContact O-N 2.81Å; G380-L383 PolarHBondContact O-N 3.48Å; L383-H385 PolarHBondContact O-N 2.86Å; L383-W386 PolarHBondContact O-N 3.28Å; L383-A387 WeakPolarHBondContact O-CB 3.36Å; L383-A387 PolarHBondContact O-N 3.33Å |
| 384 | R | 97.4 | Very high | 94.7 | Very high | 127 Ų | 127 | 55.3 Ų | 55.3 | 48% | 0.479 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -58.1 | -48.3 | 177.5 | -170.8 | 179.5 | 67.7 | 89.6 | 0.6 | 111.4 | G380 N381 W386 A387 D388 | G380-R384 PolarHBondContact O-N 2.89Å; G380-R384 VanDerWaalsContact O-N 3.09Å; N381-R384 PolarHBondContact O-N 2.88Å; N381-R384 PolarHBondContact OD1-NE 2.88Å; N381-R384 PolarHBondContact OD1-NH2 3.45Å; R384-W386 VanDerWaalsContact C-N 3.29Å; R384-W386 PolarHBondContact O-N 2.84Å; R384-A387 PolarHBondContact O-N 3.19Å; R384-D388 IonicContact NH1-OD2 3.22Å; R384-D388 WeakPolarHBondContact O-CB 3.42Å; R384-D388 PolarHBondContact O-N 2.89Å |
| 385 | H | 98.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -59.1 | -41.4 | 177.3 | -165.6 | -170.5 | 0 | 0 | 0 | 112.5 | F274 L374 N381 L383 M389 V397 Q399 H401 | F274-H385 AromaticContact CD2-CE1 3.86Å; F274-H385 AromaticContact CE2-CE1 3.48Å; F274-H385 VanDerWaalsContact CE2-CE1 3.48Å; F274-H385 WeakPolarHBondContact CE2-CE1 3.33Å; F274-H385 AromaticContact CE2-ND1 3.51Å; F274-H385 AromaticContact CZ-ND1 3.74Å; F274-H385 PolarHBondContact O-CE1 3.49Å; L374-H385 HydrophobicContact CD2-CB 3.83Å; N381-H385 WeakPolarHBondContact O-CB 3.16Å; N381-H385 PolarHBondContact O-N 3.09Å; L383-H385 PolarHBondContact O-N 2.86Å; H385-M389 PolarHBondContact O-N 3.45Å; H385-V397 PolarHBondContact NE2-O 2.8Å; H385-Q399 VanDerWaalsContact CA-OE1 3.31Å; H385-Q399 VanDerWaalsContact CG-OE1 3.3Å; H385-H401 AromaticContact CE1-NE2 3.82Å; H385-H401 AromaticContact CG-NE2 3.57Å; H385-H401 AromaticContact ND1-CD2 3.83Å; H385-H401 AromaticContact ND1-CE1 3.75Å; H385-H401 AromaticContact ND1-NE2 2.92Å; H385-H401 PolarHBondContact ND1-NE2 3.34Å |
| 386 | W | 97.6 | Very high | 94.6 | Very high | 2 Ų | 2 | 68 Ų | 68 | 1% | 0.008 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -65.9 | -43.7 | 177.5 | -168.1 | -101.1 | 0 | 0 | 0 | 112 | L276 L285 I348 V351 L353 L374 Q382 L383 R384 M389 L390 | L276-W386 HydrophobicContact CD1-CE3 4.02Å; L276-W386 HydrophobicContact CD1-CZ3 4.39Å; L285-W386 HydrophobicContact CD2-CH2 4.01Å; L285-W386 HydrophobicContact CD2-CZ3 4.39Å; I348-W386 HydrophobicContact CD1-CH2 3.86Å; I348-W386 HydrophobicContact CD1-CZ2 3.63Å; I348-W386 HydrophobicContact CG1-CZ2 3.96Å; V351-W386 HydrophobicContact CG1-CH2 3.89Å; V351-W386 HydrophobicContact CG1-CZ2 3.84Å; L353-W386 HydrophobicContact CB-CH2 4.42Å; L353-W386 HydrophobicContact CB-CZ3 3.87Å; L353-W386 HydrophobicContact CD2-CZ3 4.33Å; L374-W386 HydrophobicContact CB-CD2 4.48Å; L374-W386 HydrophobicContact CB-CE3 3.79Å; L374-W386 HydrophobicContact CB-CZ3 4.45Å; Q382-W386 PolarHBondContact O-N 3.13Å; Q382-W386 VanDerWaalsContact O-N 3.16Å; L383-W386 PolarHBondContact O-N 3.28Å; R384-W386 VanDerWaalsContact C-N 3.29Å; R384-W386 PolarHBondContact O-N 2.84Å; W386-M389 HydrophobicContact CD2-CE 3.84Å; W386-M389 HydrophobicContact CE3-CE 3.88Å; W386-M389 HydrophobicContact CE3-SD 4.48Å; W386-M389 HydrophobicContact CG-CE 4.49Å; W386-M389 HydrophobicContact CH2-CE 4.05Å; W386-M389 HydrophobicContact CZ2-CE 4.01Å; W386-M389 HydrophobicContact CZ3-CE 3.98Å; W386-M389 HydrophobicContact CZ3-SD 4.43Å; W386-M389 WeakPolarHBondContact O-CB 3.32Å; W386-M389 PolarHBondContact O-N 3.29Å; W386-L390 WeakPolarHBondContact O-CG 3.27Å; W386-L390 PolarHBondContact O-N 2.84Å; W386-L390 VanDerWaalsContact O-N 3.13Å |
| 387 | A | 96.9 | Very high | 94.9 | Very high | 40 Ų | 40 | 66.2 Ų | 66.2 | 33% | 0.331 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65.3 | -41.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L383 R384 M389 L390 S391 | L383-A387 WeakPolarHBondContact O-CB 3.36Å; L383-A387 PolarHBondContact O-N 3.33Å; R384-A387 PolarHBondContact O-N 3.19Å; A387-M389 VanDerWaalsContact C-N 3.33Å; A387-M389 PolarHBondContact O-N 2.92Å; A387-L390 PolarHBondContact O-N 2.86Å; A387-S391 WeakPolarHBondContact O-CB 3.43Å; A387-S391 PolarHBondContact O-N 3.22Å; A387-S391 PolarHBondContact O-OG 3.35Å |
| 388 | D | 97.1 | Very high | 95.3 | Very high | 45 Ų | 45 | 64.2 Ų | 64.2 | 24% | 0.241 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.6 | -43.2 | 176.2 | -70 | -20.3 | 0 | 0 | 0 | 110.7 | R384 S391 N392 V397 Q399 | R384-D388 IonicContact NH1-OD2 3.22Å; R384-D388 WeakPolarHBondContact O-CB 3.42Å; R384-D388 PolarHBondContact O-N 2.89Å; D388-S391 PolarHBondContact O-N 3.27Å; D388-N392 WeakPolarHBondContact O-CB 3.47Å; D388-N392 PolarHBondContact O-N 2.88Å; D388-N392 VanDerWaalsContact O-N 3.08Å; D388-N392 PolarHBondContact O-ND2 2.63Å; D388-V397 HydrophobicContact CB-CG1 4.05Å; D388-V397 HydrophobicContact CB-CG2 4.44Å; D388-Q399 PolarHBondContact OD2-NE2 2.93Å |
| 389 | M | 97.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -59.8 | -45.5 | 174.8 | 175.5 | -157.8 | 67 | 0 | 0 | 111.9 | L276 L285 I348 H385 W386 A387 N392 | L276-M389 HydrophobicContact CB-CB 4.01Å; L276-M389 HydrophobicContact CB-CG 3.77Å; L276-M389 HydrophobicContact CB-SD 3.61Å; L276-M389 HydrophobicContact CD1-SD 4.13Å; L276-M389 HydrophobicContact CG-SD 4.42Å; L285-M389 HydrophobicContact CD1-CE 4.24Å; L285-M389 HydrophobicContact CD1-SD 3.36Å; L285-M389 WeakPolarHBondContact CD1-SD 3.31Å; I348-M389 HydrophobicContact CD1-CE 4.41Å; H385-M389 PolarHBondContact O-N 3.45Å; W386-M389 HydrophobicContact CD2-CE 3.84Å; W386-M389 HydrophobicContact CE3-CE 3.88Å; W386-M389 HydrophobicContact CE3-SD 4.48Å; W386-M389 HydrophobicContact CG-CE 4.49Å; W386-M389 HydrophobicContact CH2-CE 4.05Å; W386-M389 HydrophobicContact CZ2-CE 4.01Å; W386-M389 HydrophobicContact CZ3-CE 3.98Å; W386-M389 HydrophobicContact CZ3-SD 4.43Å; W386-M389 WeakPolarHBondContact O-CB 3.32Å; W386-M389 PolarHBondContact O-N 3.29Å; A387-M389 VanDerWaalsContact C-N 3.33Å; A387-M389 PolarHBondContact O-N 2.92Å; M389-N392 CarbonylContact O-C 3.55Å; M389-N392 PolarHBondContact O-N 3.43Å |
| 390 | L | 95.3 | Very high | 95.8 | Very high | 65 Ų | 65 | 63.9 Ų | 63.9 | 34% | 0.34 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -69.1 | -35.2 | -179.1 | -68.5 | 175.2 | 0 | 0 | 0 | 112.4 | Y278 I348 W386 A387 N392 | Y278-L390 HydrophobicContact CD1-CD2 4.1Å; I348-L390 HydrophobicContact CG1-CD2 3.78Å; I348-L390 HydrophobicContact CG2-CD2 4.25Å; W386-L390 WeakPolarHBondContact O-CG 3.27Å; W386-L390 PolarHBondContact O-N 2.84Å; W386-L390 VanDerWaalsContact O-N 3.13Å; A387-L390 PolarHBondContact O-N 2.86Å; L390-N392 VanDerWaalsContact C-N 3.32Å |
| 391 | S | 94.8 | Very high | 96 | Very high | 89 Ų | 89 | 61.1 Ų | 61.1 | 62% | 0.622 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -76.5 | -20 | -179.8 | -54.2 | 0 | 0 | 0 | 0 | 112.9 | A387 D388 P393 | A387-S391 WeakPolarHBondContact O-CB 3.43Å; A387-S391 PolarHBondContact O-N 3.22Å; A387-S391 PolarHBondContact O-OG 3.35Å; D388-S391 PolarHBondContact O-N 3.27Å; S391-P393 VanDerWaalsContact C-CD 3.41Å; S391-P393 VanDerWaalsContact O-CD 3.25Å; S391-P393 WeakPolarHBondContact O-CD 3.45Å |
| 392 | N | 93.1 | Very high | 96 | Very high | 60 Ų | 60 | 61.5 Ų | 61.5 | 32% | 0.321 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -118 | 66.7 | -179.2 | -65.4 | -81.5 | 0 | 0 | 0 | 111.5 | D388 M389 L390 R394 R395 V397 | D388-N392 WeakPolarHBondContact O-CB 3.47Å; D388-N392 PolarHBondContact O-N 2.88Å; D388-N392 VanDerWaalsContact O-N 3.08Å; D388-N392 PolarHBondContact O-ND2 2.63Å; M389-N392 CarbonylContact O-C 3.55Å; M389-N392 PolarHBondContact O-N 3.43Å; L390-N392 VanDerWaalsContact C-N 3.32Å; N392-R394 PolarHBondContact O-N 3.27Å; N392-R395 HydrophobicContact CB-CB 4.21Å; N392-R395 PolarHBondContact O-N 3.39Å; N392-R395 VanDerWaalsContact O-N 3.13Å; N392-V397 HydrophobicContact CB-CG2 4.4Å |
| 393 | P | 89.4 | Confident | 96 | Very high | 59 Ų | 59 | 60.2 Ų | 60.2 | 38% | 0.383 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | 139.7 | -177.7 | 25.8 | -34.4 | 0 | 0 | 0 | 111 | S391 R395 | S391-P393 VanDerWaalsContact C-CD 3.41Å; S391-P393 VanDerWaalsContact O-CD 3.25Å; S391-P393 WeakPolarHBondContact O-CD 3.45Å; P393-R395 PolarHBondContact O-N 3.15Å |
| 394 | R | 90.4 | Very high | 95.8 | Very high | 178 Ų | 178 | 60 Ų | 60 | 67% | 0.672 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.4 | -0.4 | -177 | -56.9 | 172.4 | -89.7 | -174.6 | -8.5 | 116 | C277 Y278 V279 N392 | C277-R394 VanDerWaalsContact SG-C 3.51Å; Y278-R394 PolarHBondContact O-N 2.89Å; Y278-R394 VanDerWaalsContact O-N 3.14Å; V279-R394 HydrophobicContact CB-CG 4.49Å; V279-R394 HydrophobicContact CG1-CG 4.03Å; V279-R394 HydrophobicContact CG2-CG 3.92Å; N392-R394 PolarHBondContact O-N 3.27Å |
| 395 | R | 93.9 | Very high | 95.5 | Very high | 174 Ų | 174 | 55.5 Ų | 55.5 | 66% | 0.657 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -105.2 | 123.5 | 174.3 | -67.9 | -175.6 | 175.3 | 174.1 | -1.7 | 109.9 | N392 P393 V397 | N392-R395 HydrophobicContact CB-CB 4.21Å; N392-R395 PolarHBondContact O-N 3.39Å; N392-R395 VanDerWaalsContact O-N 3.13Å; P393-R395 PolarHBondContact O-N 3.15Å; R395-V397 PolarHBondContact O-N 2.94Å |
| 396 | P | 96.6 | Very high | 95.1 | Very high | 92 Ų | 92 | 56.8 Ų | 56.8 | 60% | 0.597 | 31% | 0.31 | S | S | * | . | trans | -67.4 | 125.6 | 171.9 | 28 | -31.6 | 0 | 0 | 0 | 109.5 | L276 C277 | L276-P396 WeakPolarHBondContact O-CA 3.29Å; C277-P396 HydrophobicContact CB-CB 4.31Å | ||
| 397 | V | 97.7 | Very high | 94.6 | Very high | 24 Ų | 24 | 62.9 Ų | 62.9 | 15% | 0.145 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 122.3 | 172 | -178.2 | 0 | 0 | 0 | 0 | 106.9 | S275 L276 H385 D388 N392 R395 Q399 | S275-V397 CarbonylContact C-O 3.56Å; S275-V397 WeakPolarHBondContact CA-O 3.38Å; S275-V397 WeakPolarHBondContact CB-O 3.39Å; L276-V397 PolarHBondContact N-O 3.47Å; L276-V397 PolarHBondContact O-N 2.91Å; H385-V397 PolarHBondContact NE2-O 2.8Å; D388-V397 HydrophobicContact CB-CG1 4.05Å; D388-V397 HydrophobicContact CB-CG2 4.44Å; N392-V397 HydrophobicContact CB-CG2 4.4Å; R395-V397 PolarHBondContact O-N 2.94Å; V397-Q399 HydrophobicContact CG1-CG 4.25Å |
| 398 | A | 97.9 | Very high | 94.2 | Very high | 59 Ų | 59 | 62.4 Ų | 62.4 | 49% | 0.488 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 132.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | F274 L290 | F274-A398 WeakPolarHBondContact O-CA 3.33Å; L290-A398 HydrophobicContact CD1-CB 3.99Å |
| 399 | Q | 98.1 | Very high | 93.9 | Very high | 24 Ų | 24 | 60.3 Ų | 60.3 | 11% | 0.112 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 148.6 | 178.4 | -64.7 | -173.8 | -7.5 | 0 | 0 | 111.5 | F274 H385 D388 V397 H401 | F274-Q399 PolarHBondContact N-O 2.99Å; F274-Q399 PolarHBondContact O-N 3.33Å; F274-Q399 VanDerWaalsContact O-N 3.16Å; H385-Q399 VanDerWaalsContact CA-OE1 3.31Å; H385-Q399 VanDerWaalsContact CG-OE1 3.3Å; D388-Q399 PolarHBondContact OD2-NE2 2.93Å; V397-Q399 HydrophobicContact CG1-CG 4.25Å; Q399-H401 PolarHBondContact O-CD2 3.26Å |
| 400 | W | 98.3 | Very high | 93.4 | Very high | 85 Ų | 85 | 63.1 Ų | 63.1 | 32% | 0.322 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 142.7 | 169.1 | -74.5 | 95.4 | 0 | 0 | 0 | 110.9 | E271 C273 E291 K293 N381 | E271-W400 HydrophobicContact CB-CE3 3.82Å; E271-W400 HydrophobicContact CB-CZ3 4.16Å; C273-W400 HydrophobicContact CB-CD2 3.66Å; C273-W400 HydrophobicContact CB-CE3 3.73Å; C273-W400 HydrophobicContact CB-CG 4.29Å; C273-W400 HydrophobicContact CB-CH2 3.9Å; C273-W400 HydrophobicContact CB-CZ2 3.83Å; C273-W400 HydrophobicContact CB-CZ3 3.84Å; E291-W400 HydrophobicContact CG-CH2 3.73Å; E291-W400 HydrophobicContact CG-CZ2 4.05Å; E291-W400 VanDerWaalsContact OE1-CZ2 3.27Å; E291-W400 WeakPolarHBondContact OE1-CZ2 3.49Å; K293-W400 HydrophobicContact CB-CH2 4.21Å; K293-W400 HydrophobicContact CB-CZ3 4.29Å; K293-W400 HydrophobicContact CD-CE3 4.42Å; K293-W400 HydrophobicContact CD-CH2 3.67Å; K293-W400 HydrophobicContact CD-CZ2 4.25Å; K293-W400 HydrophobicContact CD-CZ3 3.78Å; K293-W400 HydrophobicContact CG-CE3 4.43Å; K293-W400 HydrophobicContact CG-CH2 3.8Å; K293-W400 HydrophobicContact CG-CZ3 3.59Å; N381-W400 PolarHBondContact ND2-O 3.26Å |
| 401 | H | 97.8 | Very high | 93 | Very high | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.005 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 131.2 | 174.4 | -66.5 | -93.8 | 0 | 0 | 0 | 110.5 | E271 I272 F274 L372 N381 H385 Q399 | E271-H401 WeakPolarHBondContact CA-O 3.28Å; I272-H401 PolarHBondContact N-O 2.9Å; I272-H401 PolarHBondContact O-N 3.34Å; F274-H401 HydrophobicContact CE1-CB 4.21Å; F274-H401 AromaticContact CE1-CD2 3.35Å; F274-H401 WeakPolarHBondContact CE1-CD2 3.47Å; F274-H401 AromaticContact CE1-CG 3.88Å; F274-H401 AromaticContact CZ-CD2 3.41Å; F274-H401 VanDerWaalsContact CZ-CD2 3.41Å; F274-H401 WeakPolarHBondContact CZ-CD2 3.39Å; F274-H401 AromaticContact CZ-NE2 3.78Å; L372-H401 HydrophobicContact CD2-CB 3.58Å; N381-H401 PolarHBondContact ND2-CE1 3.46Å; N381-H401 PolarHBondContact ND2-ND1 3.02Å; H385-H401 AromaticContact CE1-NE2 3.82Å; H385-H401 AromaticContact CG-NE2 3.57Å; H385-H401 AromaticContact ND1-CD2 3.83Å; H385-H401 AromaticContact ND1-CE1 3.75Å; H385-H401 AromaticContact ND1-NE2 2.92Å; H385-H401 PolarHBondContact ND1-NE2 3.34Å; Q399-H401 PolarHBondContact O-CD2 3.26Å |
| 402 | S | 95.4 | Very high | 92.5 | Very high | 64 Ų | 64 | 62.8 Ų | 62.8 | 45% | 0.448 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 138 | 171.7 | -38.5 | 0 | 0 | 0 | 0 | 110.4 | E271 | E271-S402 PolarHBondContact OE1-OG 3.23Å; E271-S402 VanDerWaalsContact OE1-OG 3.07Å |
| 403 | L | 95.6 | Very high | 92 | Very high | 6 Ų | 6 | 60.4 Ų | 60.4 | 3% | 0.031 | 33% | 0.328 | C | S | . | . | trans | -78.3 | 138.3 | -178.7 | -69.8 | 165.1 | 0 | 0 | 0 | 110.9 | L269 G270 I272 L295 V357 L372 | L269-L403 HydrophobicContact CB-CB 3.8Å; L269-L403 VanDerWaalsContact O-CD1 3.3Å; L269-L403 WeakPolarHBondContact O-CD1 3.48Å; G270-L403 VanDerWaalsContact O-CB 3.3Å; G270-L403 WeakPolarHBondContact O-CB 3.43Å; G270-L403 WeakPolarHBondContact O-CG 3.3Å; G270-L403 PolarHBondContact O-N 3.35Å; I272-L403 HydrophobicContact CG2-CD2 3.95Å; I272-L403 HydrophobicContact CG2-CG 4.38Å; L295-L403 HydrophobicContact CD2-CD1 3.61Å; V357-L403 HydrophobicContact CB-CD1 4.21Å; V357-L403 HydrophobicContact CG2-CD1 3.82Å; V357-L403 HydrophobicContact CG2-CD2 3.78Å; V357-L403 HydrophobicContact CG2-CG 4.48Å; L372-L403 HydrophobicContact CD2-CD2 4.05Å | ||
| 404 | L | 93.2 | Very high | 91.1 | Very high | 67 Ų | 67 | 59.6 Ų | 59.6 | 35% | 0.351 | 33% | 0.33 | S | S | . | . | B | Isolated β-bridge | trans | -107 | 161.4 | 174.6 | -59.4 | 177.3 | 0 | 0 | 0 | 110.4 | G370 K371 Q408 V409 | G370-L404 CarbonylContact C-O 3.6Å; K371-L404 PolarHBondContact N-O 2.98Å; K371-L404 CarbonylContact O-C 3.54Å; K371-L404 WeakPolarHBondContact O-CA 3.39Å; K371-L404 WeakPolarHBondContact O-CB 3.28Å; K371-L404 PolarHBondContact O-N 2.75Å; K371-L404 VanDerWaalsContact O-O 3.07Å; L404-Q408 HydrophobicContact CB-CB 4.39Å; L404-V409 HydrophobicContact CB-CG2 3.88Å; L404-V409 HydrophobicContact CD1-CG2 4.35Å |
| 405 | S | 90.8 | Very high | 89.7 | Confident | 31 Ų | 31 | 52.6 Ų | 52.6 | 22% | 0.217 | 31% | 0.306 | C | S | . | . | trans | -62.7 | 148.1 | 174.5 | 68.7 | 0 | 0 | 0 | 0 | 110.6 | E407 Q408 V409 | S405-E407 PolarHBondContact O-N 3.49Å; S405-E407 VanDerWaalsContact O-N 3.16Å; S405-Q408 PolarHBondContact O-N 2.97Å; S405-Q408 WeakPolarHBondContact OG-CB 3.45Å; S405-Q408 VanDerWaalsContact OG-CD 3.23Å; S405-Q408 WeakPolarHBondContact OG-CG 3.47Å; S405-Q408 PolarHBondContact OG-N 2.85Å; S405-Q408 PolarHBondContact OG-OE1 3.42Å; S405-V409 PolarHBondContact O-N 2.86Å | ||
| 406 | A | 89.7 | Confident | 87.3 | Confident | 27 Ų | 27 | 53.7 Ų | 53.7 | 22% | 0.223 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.1 | -32.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | K371 N410 | K371-A406 HydrophobicContact CD-CB 4.48Å; A406-N410 WeakPolarHBondContact O-CB 3.41Å; A406-N410 PolarHBondContact O-N 3.36Å; A406-N410 PolarHBondContact O-ND2 3.35Å |
| 407 | E | 87.6 | Confident | 84.9 | Confident | 130 Ų | 130 | 59.7 Ų | 59.7 | 61% | 0.607 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -66.6 | -47.1 | 177.5 | -60.8 | -166.9 | 162.2 | 0 | 0 | 112.3 | F264 S405 V409 N410 A411 | F264-E407 HydrophobicContact CE1-CB 4.28Å; S405-E407 PolarHBondContact O-N 3.49Å; S405-E407 VanDerWaalsContact O-N 3.16Å; E407-V409 PolarHBondContact O-N 3.42Å; E407-N410 PolarHBondContact O-N 2.92Å; E407-A411 VanDerWaalsContact O-CB 3.28Å; E407-A411 WeakPolarHBondContact O-CB 3Å; E407-A411 PolarHBondContact O-N 3.37Å |
| 408 | Q | 89 | Confident | 82.1 | Confident | 31 Ų | 31 | 67.6 Ų | 67.6 | 15% | 0.145 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -54.7 | -50.5 | 174.9 | -79.8 | 162.4 | -37 | 0 | 0 | 111.4 | F264 L404 S405 A411 S412 | F264-Q408 HydrophobicContact CB-CG 3.4Å; F264-Q408 HydrophobicContact CD1-CB 4.3Å; F264-Q408 HydrophobicContact CD1-CG 3.35Å; F264-Q408 HydrophobicContact CD2-CG 3.5Å; F264-Q408 HydrophobicContact CE1-CB 4.39Å; F264-Q408 HydrophobicContact CE1-CG 3.87Å; F264-Q408 HydrophobicContact CE2-CG 4.01Å; F264-Q408 HydrophobicContact CG-CB 4.37Å; F264-Q408 HydrophobicContact CG-CG 3.12Å; F264-Q408 HydrophobicContact CZ-CG 4.18Å; L404-Q408 HydrophobicContact CB-CB 4.39Å; S405-Q408 PolarHBondContact O-N 2.97Å; S405-Q408 WeakPolarHBondContact OG-CB 3.45Å; S405-Q408 VanDerWaalsContact OG-CD 3.23Å; S405-Q408 WeakPolarHBondContact OG-CG 3.47Å; S405-Q408 PolarHBondContact OG-N 2.85Å; S405-Q408 PolarHBondContact OG-OE1 3.42Å; Q408-A411 PolarHBondContact O-N 3.05Å; Q408-S412 PolarHBondContact O-N 2.89Å; Q408-S412 PolarHBondContact O-OG 3.38Å |
| 409 | V | 89.6 | Confident | 79.2 | Confident | 1 Ų | 1 | 71.4 Ų | 71.4 | 1% | 0.006 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -68.2 | -42.7 | -177.4 | 174.4 | 0 | 0 | 0 | 0 | 111.7 | K371 F373 L404 S405 E407 A411 S412 L413 | K371-V409 HydrophobicContact CB-CB 4.43Å; K371-V409 HydrophobicContact CB-CG2 4.15Å; K371-V409 HydrophobicContact CD-CB 4.09Å; K371-V409 HydrophobicContact CD-CG1 3.9Å; K371-V409 HydrophobicContact CG-CB 4.08Å; K371-V409 HydrophobicContact CG-CG1 3.89Å; K371-V409 HydrophobicContact CG-CG2 4.16Å; K371-V409 WeakPolarHBondContact O-CG2 3.26Å; F373-V409 HydrophobicContact CB-CG1 4.27Å; F373-V409 HydrophobicContact CD1-CG1 3.79Å; F373-V409 HydrophobicContact CG-CG1 4.42Å; L404-V409 HydrophobicContact CB-CG2 3.88Å; L404-V409 HydrophobicContact CD1-CG2 4.35Å; S405-V409 PolarHBondContact O-N 2.86Å; E407-V409 PolarHBondContact O-N 3.42Å; V409-A411 VanDerWaalsContact C-N 3.33Å; V409-A411 PolarHBondContact O-N 3.01Å; V409-S412 PolarHBondContact O-N 3.2Å; V409-L413 HydrophobicContact CG1-CD1 3.79Å; V409-L413 HydrophobicContact CG1-CG 4.42Å; V409-L413 PolarHBondContact O-N 3.39Å |
| 410 | N | 88.1 | Confident | 76.1 | Confident | 58 Ų | 58 | 75.7 Ų | 75.7 | 31% | 0.31 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -67.6 | -35.5 | -179.8 | -69.2 | -28.4 | 0 | 0 | 0 | 112.2 | K371 A406 E407 G414 L415 | K371-N410 PolarHBondContact NZ-OD1 3.39Å; A406-N410 WeakPolarHBondContact O-CB 3.41Å; A406-N410 PolarHBondContact O-N 3.36Å; A406-N410 PolarHBondContact O-ND2 3.35Å; E407-N410 PolarHBondContact O-N 2.92Å; N410-G414 PolarHBondContact O-N 3.03Å; N410-L415 PolarHBondContact O-N 3.21Å |
| 411 | A | 85.9 | Confident | 73 | Confident | 63 Ų | 63 | 77.5 Ų | 77.5 | 52% | 0.521 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -63.5 | -44.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111 | F264 E407 Q408 V409 G414 | F264-A411 HydrophobicContact CZ-CB 3.91Å; E407-A411 VanDerWaalsContact O-CB 3.28Å; E407-A411 WeakPolarHBondContact O-CB 3Å; E407-A411 PolarHBondContact O-N 3.37Å; Q408-A411 PolarHBondContact O-N 3.05Å; V409-A411 VanDerWaalsContact C-N 3.33Å; V409-A411 PolarHBondContact O-N 3.01Å; A411-G414 PolarHBondContact O-N 3.47Å |
| 412 | S | 85.2 | Confident | 70 | Confident | 84 Ų | 84 | 82.9 Ų | 82.9 | 59% | 0.587 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -64.8 | -44.2 | 179.2 | -54.9 | 0 | 0 | 0 | 0 | 112.5 | Q408 V409 G414 | Q408-S412 PolarHBondContact O-N 2.89Å; Q408-S412 PolarHBondContact O-OG 3.38Å; V409-S412 PolarHBondContact O-N 3.2Å; S412-G414 PolarHBondContact O-N 3.02Å |
| 413 | L | 81.3 | Confident | 67.2 | Low | 11 Ų | 11 | 87.3 Ų | 87.3 | 6% | 0.058 | 47% | 0.473 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -9.1 | 178.1 | -73.6 | 169.4 | 0 | 0 | 0 | 113.9 | N352 V354 F373 V409 L415 | N352-L413 HydrophobicContact CB-CD2 3.96Å; V354-L413 HydrophobicContact CG2-CD1 3.78Å; F373-L413 HydrophobicContact CB-CD1 4.01Å; F373-L413 HydrophobicContact CB-CD2 4.2Å; F373-L413 HydrophobicContact CB-CG 4.34Å; F373-L413 HydrophobicContact CD1-CD1 4.39Å; F373-L413 HydrophobicContact CD1-CD2 4.28Å; F373-L413 HydrophobicContact CD1-CG 4.04Å; F373-L413 HydrophobicContact CD2-CD2 3.4Å; F373-L413 HydrophobicContact CD2-CG 4.08Å; F373-L413 HydrophobicContact CE1-CG 4.34Å; F373-L413 HydrophobicContact CE2-CD2 3.72Å; F373-L413 HydrophobicContact CE2-CG 4.37Å; F373-L413 HydrophobicContact CG-CD1 4.1Å; F373-L413 HydrophobicContact CG-CD2 3.69Å; F373-L413 HydrophobicContact CG-CG 3.88Å; F373-L413 HydrophobicContact CZ-CD2 4.28Å; F373-L413 HydrophobicContact CZ-CG 4.49Å; V409-L413 HydrophobicContact CG1-CD1 3.79Å; V409-L413 HydrophobicContact CG1-CG 4.42Å; V409-L413 PolarHBondContact O-N 3.39Å; L413-L415 HydrophobicContact CB-CD1 4.01Å; L413-L415 HydrophobicContact CB-CG 3.77Å; L413-L415 HydrophobicContact CD1-CD1 3.75Å; L413-L415 HydrophobicContact CD1-CG 4.39Å; L413-L415 PolarHBondContact O-N 3.34Å; L413-L415 VanDerWaalsContact O-N 3.14Å |
| 414 | G | 70.9 | Confident | 64.3 | Low | 42 Ų | 42 | 96.6 Ų | 96.6 | 43% | 0.433 | 51% | 0.513 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58 | 26.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | N410 A411 S412 K416 | N410-G414 PolarHBondContact O-N 3.03Å; A411-G414 PolarHBondContact O-N 3.47Å; S412-G414 PolarHBondContact O-N 3.02Å; G414-K416 PolarHBondContact O-N 3.2Å |
| 415 | L | 60.5 | Low | 61.6 | Low | 31 Ų | 31 | 100 Ų | 100 | 16% | 0.162 | 54% | 0.537 | C | S | . | . | trans | -66.5 | 110.2 | 179.9 | -73.4 | 170.2 | 0 | 0 | 0 | 108.2 | K316 N410 L413 R417 | K316-L415 VanDerWaalsContact O-CD2 3.29Å; K316-L415 WeakPolarHBondContact O-CD2 3.45Å; N410-L415 PolarHBondContact O-N 3.21Å; L413-L415 HydrophobicContact CB-CD1 4.01Å; L413-L415 HydrophobicContact CB-CG 3.77Å; L413-L415 HydrophobicContact CD1-CD1 3.75Å; L413-L415 HydrophobicContact CD1-CG 4.39Å; L413-L415 PolarHBondContact O-N 3.34Å; L413-L415 VanDerWaalsContact O-N 3.14Å; L415-R417 PolarHBondContact O-N 2.83Å; L415-R417 VanDerWaalsContact O-N 3.11Å | ||
| 416 | K | 45.2 | Very low | 59 | Low | 197 Ų | 197 | 107.3 Ų | 107.3 | 86% | 0.857 | 57% | 0.565 | S | S | * | * | trans | -51.8 | 122.8 | 174.8 | -69.3 | -171.1 | 178.7 | -175 | 0 | 108.6 | G414 K418 | G414-K416 PolarHBondContact O-N 3.2Å; K416-K418 PolarHBondContact O-N 3.25Å; K416-K418 VanDerWaalsContact O-N 3.09Å | ||
| 417 | R | 44.7 | Very low | 56.3 | Low | 218 Ų | 218 | 115.2 Ų | 115.2 | 82% | 0.823 | 60% | 0.597 | S | S | * | * | trans | -50.8 | 121.4 | 168.2 | -70.7 | -178.6 | 175.7 | 174.9 | -3 | 106.4 | L415 I419 | L415-R417 PolarHBondContact O-N 2.83Å; L415-R417 VanDerWaalsContact O-N 3.11Å; R417-I419 VanDerWaalsContact C-N 3.31Å; R417-I419 PolarHBondContact O-N 3.02Å | ||
| 418 | K | 39 | Very low | 53.8 | Low | 189 Ų | 189 | 116.1 Ų | 116.1 | 82% | 0.822 | 61% | 0.606 | S | S | * | * | trans | -61.7 | 102.5 | 168.9 | -81.9 | -168.8 | 175.8 | -169.6 | 0 | 105.9 | K416 P420 | K416-K418 PolarHBondContact O-N 3.25Å; K416-K418 VanDerWaalsContact O-N 3.09Å; K418-P420 WeakPolarHBondContact O-CD 3.33Å | ||
| 419 | I | 36.6 | Very low | 51.6 | Low | 139 Ų | 139 | 124.6 Ų | 124.6 | 71% | 0.713 | 64% | 0.642 | S | S | * | * | trans | -58.6 | 125.6 | 157.3 | -60.8 | 170.8 | 0 | 0 | 0 | 104.3 | R417 V421 | R417-I419 VanDerWaalsContact C-N 3.31Å; R417-I419 PolarHBondContact O-N 3.02Å; I419-V421 PolarHBondContact O-N 3.19Å | ||
| 420 | P | 33.2 | Very low | 49.2 | Very low | 115 Ų | 115 | 132 Ų | 132 | 75% | 0.747 | 68% | 0.681 | S | S | * | * | trans | -56.8 | 108.5 | 170.1 | -18.1 | 30.1 | 0 | 0 | 0 | 106.7 | K418 P422 | K418-P420 WeakPolarHBondContact O-CD 3.33Å; P420-P422 WeakPolarHBondContact O-CD 3.2Å | ||
| 421 | V | 34.8 | Very low | 46.9 | Very low | 123 Ų | 123 | 137.3 Ų | 137.3 | 75% | 0.745 | 71% | 0.708 | S | S | * | * | trans | -70.2 | 122.1 | 170.1 | -174.7 | 0 | 0 | 0 | 0 | 104.8 | I419 N423 | I419-V421 PolarHBondContact O-N 3.19Å; V421-N423 PolarHBondContact O-N 2.83Å | ||
| 422 | P | 34.4 | Very low | 44.8 | Very low | 113 Ų | 113 | 144.2 Ų | 144.2 | 73% | 0.734 | 73% | 0.727 | S | S | * | * | trans | -53.3 | 134.7 | 170 | -20.4 | 31.5 | 0 | 0 | 0 | 108.2 | P420 K424 | P420-P422 WeakPolarHBondContact O-CD 3.2Å; P422-K424 PolarHBondContact O-N 3.13Å | ||
| 423 | N | 36.3 | Very low | 43 | Very low | 158 Ų | 158 | 148.9 Ų | 148.9 | 85% | 0.845 | 74% | 0.736 | S | S | * | * | trans | -40.8 | 133.9 | -175.7 | -83.6 | -28 | 0 | 0 | 0 | 112.1 | V421 V425 | V421-N423 PolarHBondContact O-N 2.83Å; N423-V425 PolarHBondContact O-N 3.02Å | ||
| 424 | K | 35.1 | Very low | 41.2 | Very low | 200 Ų | 200 | 156.7 Ų | 156.7 | 87% | 0.87 | 77% | 0.772 | S | S | * | * | trans | -41.8 | 115.2 | 171.9 | -72.7 | -177.8 | 173.4 | -173.1 | 0 | 109.8 | P422 K426 | P422-K424 PolarHBondContact O-N 3.13Å; K424-K426 PolarHBondContact O-N 3.11Å | ||
| 425 | V | 35.7 | Very low | 39.6 | Very low | 140 Ų | 140 | 165.4 Ų | 165.4 | 85% | 0.848 | 80% | 0.799 | S | S | * | * | trans | -55.8 | 124.1 | 159.8 | 175.4 | 0 | 0 | 0 | 0 | 106.1 | N423 E427 | N423-V425 PolarHBondContact O-N 3.02Å; V425-E427 PolarHBondContact O-N 3.35Å | ||
| 426 | K | 36 | Very low | 38.6 | Very low | 184 Ų | 184 | 177.1 Ų | 177.1 | 80% | 0.8 | 85% | 0.848 | S | S | * | * | trans | -51.3 | 122.8 | 174.3 | -72.5 | 175.7 | 176.7 | 176.8 | 0 | 108.2 | K424 N428 | K424-K426 PolarHBondContact O-N 3.11Å; K426-N428 PolarHBondContact O-N 2.7Å | ||
| 427 | E | 34 | Very low | 38.2 | Very low | 193 Ų | 193 | 176.2 Ų | 176.2 | 90% | 0.902 | 85% | 0.848 | S | S | * | * | trans | -54.3 | 109.1 | 167 | -116.4 | 171.4 | 161.7 | 0 | 0 | 108.4 | V425 K429 | V425-E427 PolarHBondContact O-N 3.35Å; E427-K429 PolarHBondContact O-N 2.88Å; E427-K429 VanDerWaalsContact O-N 3.13Å | ||
| 428 | N | 34.5 | Very low | 37.9 | Very low | 149 Ų | 149 | 173.9 Ų | 173.9 | 80% | 0.797 | 85% | 0.849 | S | S | * | * | trans | -68.1 | 107.6 | 168.9 | -90.9 | -21.3 | 0 | 0 | 0 | 108.2 | K426 L430 | K426-N428 PolarHBondContact O-N 2.7Å; N428-L430 PolarHBondContact O-N 3.03Å | ||
| 429 | K | 42 | Very low | 37.8 | Very low | 209 Ų | 209 | 173.1 Ų | 173.1 | 91% | 0.909 | 85% | 0.851 | S | S | * | * | S | Bend | trans | -60.2 | 84.8 | 156.9 | -80.3 | -179.5 | 173.4 | 178.7 | 0 | 108.5 | E427 | E427-K429 PolarHBondContact O-N 2.88Å; E427-K429 VanDerWaalsContact O-N 3.13Å |
| 430 | L | 40.3 | Very low | 37.9 | Very low | 156 Ų | 156 | 175.1 Ų | 175.1 | 82% | 0.817 | 86% | 0.859 | S | S | * | * | trans | -161.6 | 23.9 | 168.6 | -107.3 | 169.9 | 0 | 0 | 0 | 114.9 | N428 | N428-L430 PolarHBondContact O-N 3.03Š| ||
| 431 | L | 39.6 | Very low | 38.2 | Very low | 170 Ų | 170 | 178.9 Ų | 178.9 | 89% | 0.89 | 87% | 0.866 | S | S | * | * | trans | -130.1 | 49.1 | 172.3 | -82.6 | 163.4 | 0 | 0 | 0 | 112.4 | ||||
| 432 | K | 41.5 | Very low | 38.4 | Very low | 208 Ų | 208 | 182.6 Ų | 182.6 | 90% | 0.904 | 87% | 0.874 | S | S | * | * | trans | -127.1 | 68.5 | 156.1 | -84.8 | -169.7 | 177.2 | -177 | 0 | 109 | ||||
| 433 | K | 47.1 | Very low | 38.7 | Very low | 181 Ų | 181 | 187.6 Ų | 187.6 | 79% | 0.787 | 88% | 0.884 | S | S | * | * | S | Bend | trans | -161 | 131.8 | 156.8 | -102 | 172.9 | -174.5 | -174.5 | 0 | 105.3 | ||
| 434 | H | 43.2 | Very low | 38.9 | Very low | 176 Ų | 176 | 189.8 Ų | 189.8 | 82% | 0.815 | 89% | 0.887 | S | S | * | * | trans | 88.1 | 65.5 | -171.5 | -51.6 | -69 | 0 | 0 | 0 | 115.9 | ||||
| 435 | F | 38.4 | Very low | 39.2 | Very low | 225 Ų | 225 | 189 Ų | 189 | 99% | 0.987 | 89% | 0.888 | S | S | * | * | -147.8 | 99.4 | 122.1 | -95.7 | -78.2 | 0 | 0 | 0 | 107.2 | |||||
| 436 | K | 38.5 | Very low | 39.6 | Very low | 277 Ų | 277 | 193.5 Ų | 193.5 | 100% | 1.204 | 89% | 0.892 | S | S | * | * | trans | -129.9 | 0 | 149.2 | -156 | -175.3 | -171 | -173.4 | 0 | 105.5 |
Retrieved 436 of 436 residues in 171.4 ms
(Link to these results)