| 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 | 35.5 | Very low | 41.5 | Very low | 226 Ų | 226 | 157.5 Ų | 157.5 | 100% | 1.113 | 86% | 0.861 | S | S | * | * | 0 | 125.7 | 0 | -85.9 | 177 | 173.5 | 0 | 0 | 106.4 | |||||
| 2 | E | 41.3 | Very low | 42.1 | Very low | 184 Ų | 184 | 159.8 Ų | 159.8 | 86% | 0.86 | 86% | 0.861 | S | S | * | * | trans | 81.7 | 120.3 | 147.3 | -61.5 | 170.2 | 143.2 | 0 | 0 | 119.2 | ||||
| 3 | D | 44.8 | Very low | 42.1 | Very low | 154 Ų | 154 | 156.9 Ų | 156.9 | 82% | 0.824 | 86% | 0.861 | S | S | * | * | trans | -65.8 | 160 | 174.3 | -55 | -77.4 | 0 | 0 | 0 | 113.6 | ||||
| 4 | S | 48.5 | Very low | 41.9 | Very low | 120 Ų | 120 | 157.1 Ų | 157.1 | 84% | 0.839 | 86% | 0.86 | S | S | * | * | -169.7 | 108.6 | 129.6 | 11.2 | 0 | 0 | 0 | 0 | 113 | |||||
| 5 | E | 51.4 | Low | 41.9 | Very low | 180 Ų | 180 | 152.1 Ų | 152.1 | 84% | 0.841 | 85% | 0.848 | S | S | * | * | trans | -13.5 | 139.8 | 147.5 | -53 | 169.6 | 138.1 | 0 | 0 | 117.8 | ||||
| 6 | T | 50.1 | Low | 42 | Very low | 147 Ų | 147 | 153.1 Ų | 153.1 | 90% | 0.902 | 85% | 0.85 | S | S | * | * | trans | -154.6 | 118.5 | 130.9 | 29.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 7 | E | 43.8 | Very low | 41.5 | Very low | 179 Ų | 179 | 148.6 Ų | 148.6 | 84% | 0.836 | 85% | 0.846 | S | S | * | * | trans | -73.8 | 142.2 | 166.3 | -61.2 | -177.1 | 122.2 | 0 | 0 | 110.5 | ||||
| 8 | L | 34.4 | Very low | 41.6 | Very low | 176 Ų | 176 | 144.4 Ų | 144.4 | 92% | 0.921 | 83% | 0.833 | S | S | * | * | trans | -145.8 | 112.3 | 147.6 | -96.2 | 172.2 | 0 | 0 | 0 | 109 | ||||
| 9 | T | 37.1 | Very low | 41.6 | Very low | 126 Ų | 126 | 145.2 Ų | 145.2 | 77% | 0.773 | 83% | 0.834 | S | S | * | * | trans | -91.6 | 126.3 | 171.5 | 44 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 10 | V | 33 | Very low | 41.4 | Very low | 134 Ų | 134 | 147.5 Ų | 147.5 | 81% | 0.812 | 83% | 0.834 | S | S | * | * | trans | -148.6 | 106.5 | 153.5 | 172.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 11 | S | 36.9 | Very low | 41.4 | Very low | 107 Ų | 107 | 147.6 Ų | 147.6 | 75% | 0.748 | 83% | 0.831 | S | S | * | * | trans | 43.1 | 122.4 | 148.6 | 63.3 | 0 | 0 | 0 | 0 | 123 | ||||
| 12 | E | 48.2 | Very low | 41.5 | Very low | 184 Ų | 184 | 143 Ų | 143 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | trans | -54.3 | 150.2 | 159.5 | -67.6 | 166.2 | 113.9 | 0 | 0 | 114.3 | ||||
| 13 | S | 42.1 | Very low | 41.4 | Very low | 123 Ų | 123 | 139.2 Ų | 139.2 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | -149.5 | 117.9 | 139.2 | -69.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 14 | D | 38.9 | Very low | 41.2 | Very low | 160 Ų | 160 | 140.9 Ų | 140.9 | 86% | 0.856 | 81% | 0.808 | S | S | * | * | trans | -32 | 139.1 | 169.9 | -77.8 | -59.5 | 0 | 0 | 0 | 115.8 | ||||
| 15 | A | 41.7 | Very low | 40.7 | Very low | 81 Ų | 81 | 142.1 Ų | 142.1 | 67% | 0.669 | 80% | 0.804 | S | S | * | * | 162.8 | 114.2 | 95.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 16 | L | 43.7 | Very low | 40.4 | Very low | 168 Ų | 168 | 141.5 Ų | 141.5 | 88% | 0.88 | 81% | 0.807 | S | S | * | * | trans | 66.9 | 82.3 | 144.9 | -52.2 | 177.3 | 0 | 0 | 0 | 117 | A18 | L16-A18 PolarHBondContact O-N 3.45Š| ||
| 17 | G | 34.8 | Very low | 40.2 | Very low | 77 Ų | 77 | 140.6 Ų | 140.6 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | trans | -60.9 | 112.9 | 153.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 18 | A | 42.6 | Very low | 39.9 | Very low | 73 Ų | 73 | 140.9 Ų | 140.9 | 60% | 0.603 | 80% | 0.802 | S | S | * | * | trans | -78.9 | 114 | 161.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | L16 F20 | L16-A18 PolarHBondContact O-N 3.45Å; A18-F20 VanDerWaalsContact O-CD2 3.31Å; A18-F20 WeakPolarHBondContact O-CD2 3.1Å; A18-F20 PolarHBondContact O-N 3.48Å | ||
| 19 | D | 42.2 | Very low | 40.1 | Very low | 159 Ų | 159 | 138.3 Ų | 138.3 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | trans | -62 | 106.7 | 168.7 | -68.9 | -38.5 | 0 | 0 | 0 | 109 | I21 | D19-I21 PolarHBondContact O-N 2.69Š| ||
| 20 | F | 36.3 | Very low | 40.2 | Very low | 191 Ų | 191 | 138.7 Ų | 138.7 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | trans | -75 | 111.7 | 169.9 | -74 | -90.9 | 0 | 0 | 0 | 108.7 | A18 T22 | A18-F20 VanDerWaalsContact O-CD2 3.31Å; A18-F20 WeakPolarHBondContact O-CD2 3.1Å; A18-F20 PolarHBondContact O-N 3.48Å; F20-T22 PolarHBondContact O-N 2.98Å | ||
| 21 | I | 41.4 | Very low | 40.4 | Very low | 151 Ų | 151 | 140.4 Ų | 140.4 | 77% | 0.774 | 79% | 0.791 | S | S | * | * | trans | -76.8 | 108.8 | 163.7 | -59.7 | 172.4 | 0 | 0 | 0 | 106.8 | D19 V23 | D19-I21 PolarHBondContact O-N 2.69Å; I21-V23 HydrophobicContact CG2-CG2 4.04Å; I21-V23 PolarHBondContact O-N 3.33Å | ||
| 22 | T | 38.5 | Very low | 40.4 | Very low | 129 Ų | 129 | 144.6 Ų | 144.6 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | trans | -73.4 | 114.6 | 167.3 | 41.7 | 0 | 0 | 0 | 0 | 109 | F20 | F20-T22 PolarHBondContact O-N 2.98Š| ||
| 23 | V | 38.6 | Very low | 39.7 | Very low | 105 Ų | 105 | 141.4 Ų | 141.4 | 64% | 0.636 | 79% | 0.785 | S | S | * | * | trans | -108.9 | 103.5 | 163.4 | 179.9 | 0 | 0 | 0 | 0 | 105.8 | I21 L25 | I21-V23 HydrophobicContact CG2-CG2 4.04Å; I21-V23 PolarHBondContact O-N 3.33Å; V23-L25 HydrophobicContact CG1-CD1 4.12Å; V23-L25 HydrophobicContact CG1-CG 4.11Å; V23-L25 PolarHBondContact O-N 3.2Å | ||
| 24 | E | 40.6 | Very low | 39.4 | Very low | 189 Ų | 189 | 141 Ų | 141 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | trans | -67.8 | 114.3 | 168.3 | -72.4 | 177.9 | 165.7 | 0 | 0 | 108.4 | ||||
| 25 | L | 38.2 | Very low | 39.3 | Very low | 145 Ų | 145 | 142.1 Ų | 142.1 | 76% | 0.759 | 77% | 0.774 | S | S | * | * | trans | -124.7 | 109.1 | 165.1 | -82.4 | 163.9 | 0 | 0 | 0 | 106.6 | V23 T27 | V23-L25 HydrophobicContact CG1-CD1 4.12Å; V23-L25 HydrophobicContact CG1-CG 4.11Å; V23-L25 PolarHBondContact O-N 3.2Å; L25-T27 VanDerWaalsContact C-N 3.29Å; L25-T27 PolarHBondContact O-N 3.14Å | ||
| 26 | D | 45.6 | Very low | 39 | Very low | 168 Ų | 168 | 150 Ų | 150 | 90% | 0.898 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -59.1 | 89.3 | 167.3 | -80.6 | -35.6 | 0 | 0 | 0 | 109.8 | ||
| 27 | T | 44.9 | Very low | 38.7 | Very low | 127 Ų | 127 | 146.7 Ų | 146.7 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -179.5 | 112 | 143.3 | 45.5 | 0 | 0 | 0 | 0 | 107.9 | L25 | L25-T27 VanDerWaalsContact C-N 3.29Å; L25-T27 PolarHBondContact O-N 3.14Å |
| 28 | Q | 39.2 | Very low | 39 | Very low | 185 Ų | 185 | 152.3 Ų | 152.3 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | trans | 3.3 | 120.7 | 166.9 | -64 | 173.6 | -8.1 | 0 | 0 | 118.3 | I30 | Q28-I30 PolarHBondContact O-N 3.19Š| ||
| 29 | P | 37 | Very low | 38.9 | Very low | 122 Ų | 122 | 156.3 Ų | 156.3 | 79% | 0.792 | 81% | 0.806 | S | S | * | * | trans | -79.1 | 121.6 | 170.1 | 31.2 | -30.1 | 0 | 0 | 0 | 110.9 | E31 | P29-E31 PolarHBondContact O-N 3.3Š| ||
| 30 | I | 39.6 | Very low | 39.1 | Very low | 134 Ų | 134 | 152.4 Ų | 152.4 | 69% | 0.687 | 80% | 0.803 | S | S | * | * | trans | -75.6 | 106.7 | 160.9 | -60.9 | 170.1 | 0 | 0 | 0 | 106.5 | Q28 Y32 | Q28-I30 PolarHBondContact O-N 3.19Å; I30-Y32 HydrophobicContact CB-CE2 4.29Å; I30-Y32 HydrophobicContact CG2-CD2 3.92Å; I30-Y32 HydrophobicContact CG2-CE2 3.44Å; I30-Y32 VanDerWaalsContact CG2-CE2 3.44Å; I30-Y32 PolarHBondContact O-N 3.03Å | ||
| 31 | E | 38.2 | Very low | 39.2 | Very low | 170 Ų | 170 | 147.5 Ų | 147.5 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | trans | -66.4 | 113.9 | 174.4 | -70.7 | -173.3 | 159.4 | 0 | 0 | 110.4 | P29 | P29-E31 PolarHBondContact O-N 3.3Š| ||
| 32 | Y | 35.8 | Very low | 39.5 | Very low | 195 Ų | 195 | 149.9 Ų | 149.9 | 77% | 0.765 | 80% | 0.798 | S | S | * | * | trans | -106.8 | 102.9 | 161.6 | -74.6 | -78.7 | 0 | 0 | 0 | 108.6 | I30 V34 | I30-Y32 HydrophobicContact CB-CE2 4.29Å; I30-Y32 HydrophobicContact CG2-CD2 3.92Å; I30-Y32 HydrophobicContact CG2-CE2 3.44Å; I30-Y32 VanDerWaalsContact CG2-CE2 3.44Å; I30-Y32 PolarHBondContact O-N 3.03Å; Y32-V34 PolarHBondContact O-N 2.76Å | ||
| 33 | V | 34.3 | Very low | 39.5 | Very low | 117 Ų | 117 | 152.1 Ų | 152.1 | 71% | 0.709 | 80% | 0.797 | S | S | * | * | trans | -77.1 | 97.5 | 168.1 | 178.9 | 0 | 0 | 0 | 0 | 108.3 | K35 | V33-K35 HydrophobicContact CG1-CG 4.18Å; V33-K35 PolarHBondContact O-N 2.83Å | ||
| 34 | V | 35.6 | Very low | 39.7 | Very low | 114 Ų | 114 | 153.6 Ų | 153.6 | 69% | 0.691 | 81% | 0.806 | S | S | * | * | trans | -85.7 | 89.3 | 168.4 | -176.8 | 0 | 0 | 0 | 0 | 108.3 | Y32 | Y32-V34 PolarHBondContact O-N 2.76Š| ||
| 35 | K | 35.8 | Very low | 39.5 | Very low | 184 Ų | 184 | 152.3 Ų | 152.3 | 80% | 0.8 | 80% | 0.804 | S | S | * | * | trans | -76.9 | 127.1 | 161.3 | -87.8 | 179.2 | 177.4 | 173.4 | 0 | 108.4 | V33 | V33-K35 HydrophobicContact CG1-CG 4.18Å; V33-K35 PolarHBondContact O-N 2.83Å | ||
| 36 | W | 35.3 | Very low | 39.2 | Very low | 246 Ų | 246 | 150.3 Ų | 150.3 | 93% | 0.932 | 80% | 0.802 | S | S | * | * | trans | -72.7 | 130.1 | 178.2 | -64.1 | 53.1 | 0 | 0 | 0 | 108.2 | ||||
| 37 | A | 38.4 | Very low | 38.6 | Very low | 100 Ų | 100 | 148.2 Ų | 148.2 | 83% | 0.826 | 80% | 0.799 | S | S | * | * | trans | -128.5 | 142.2 | 172 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 38 | E | 40.2 | Very low | 38.1 | Very low | 194 Ų | 194 | 148.4 Ų | 148.4 | 91% | 0.907 | 80% | 0.8 | S | S | * | * | trans | -67.2 | 159.7 | -175.4 | -70.3 | -179.6 | 146.6 | 0 | 0 | 113.6 | G40 | E38-G40 PolarHBondContact O-N 2.72Š| ||
| 39 | V | 40.4 | Very low | 38.1 | Very low | 157 Ų | 157 | 147.6 Ų | 147.6 | 95% | 0.952 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -65.1 | 121.5 | -172 | 178 | 0 | 0 | 0 | 0 | 111.3 | ||
| 40 | G | 48 | Very low | 38.3 | Very low | 77 Ų | 77 | 150.6 Ų | 150.6 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | trans | 141.4 | 21.1 | 160.3 | 0 | 0 | 0 | 0 | 0 | 119.4 | E38 | E38-G40 PolarHBondContact O-N 2.72Š| ||
| 41 | S | 38.6 | Very low | 38.1 | Very low | 88 Ų | 88 | 149.6 Ų | 149.6 | 62% | 0.615 | 79% | 0.79 | S | S | * | * | trans | -132.8 | 134.1 | 174.8 | -163.5 | 0 | 0 | 0 | 0 | 113.6 | F43 | S41-F43 WeakPolarHBondContact OG-CE2 3.3Å; S41-F43 WeakPolarHBondContact OG-CZ 3.42Å | ||
| 42 | K | 47.1 | Very low | 37.9 | Very low | 202 Ų | 202 | 147 Ų | 147 | 88% | 0.878 | 79% | 0.791 | S | S | * | * | trans | -89 | 113.2 | -174.2 | -170 | -175.3 | -173.5 | -176.9 | 0 | 108.3 | ||||
| 43 | F | 38.3 | Very low | 37.9 | Very low | 176 Ų | 176 | 144.5 Ų | 144.5 | 77% | 0.772 | 79% | 0.79 | S | S | * | * | trans | -125.6 | 134.3 | 172.5 | -66.9 | -75.5 | 0 | 0 | 0 | 111.7 | S41 | S41-F43 WeakPolarHBondContact OG-CE2 3.3Å; S41-F43 WeakPolarHBondContact OG-CZ 3.42Å | ||
| 44 | T | 42.8 | Very low | 37.8 | Very low | 136 Ų | 136 | 147.2 Ų | 147.2 | 83% | 0.834 | 80% | 0.801 | S | S | * | * | trans | -88.3 | 129.2 | 171.7 | 43.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 45 | I | 36.5 | Very low | 37.7 | Very low | 161 Ų | 161 | 145.8 Ų | 145.8 | 83% | 0.826 | 80% | 0.801 | S | S | * | * | trans | -90.8 | 112.7 | 173.4 | -58.3 | 171.9 | 0 | 0 | 0 | 107.6 | ||||
| 46 | S | 31.9 | Very low | 37.8 | Very low | 104 Ų | 104 | 145 Ų | 145 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | trans | -97 | 118.9 | 168.4 | 48.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 47 | C | 33.1 | Very low | 37.6 | Very low | 123 Ų | 123 | 140.7 Ų | 140.7 | 83% | 0.831 | 79% | 0.79 | S | S | * | * | trans | -81.9 | 114.6 | 174.8 | -62.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 48 | V | 34.5 | Very low | 37.3 | Very low | 132 Ų | 132 | 142.5 Ų | 142.5 | 80% | 0.8 | 79% | 0.785 | S | S | * | * | trans | -97.3 | 119.1 | 163 | 179.5 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 49 | K | 37.9 | Very low | 36.8 | Very low | 168 Ų | 168 | 140 Ų | 140 | 73% | 0.73 | 78% | 0.784 | S | S | * | * | trans | -79.9 | 116.7 | 169.6 | -169.9 | -179.4 | 176.4 | -166.5 | 0 | 106.8 | D51 | K49-D51 WeakPolarHBondContact CE-OD1 3.41Å; K49-D51 IonicContact NZ-OD1 3.89Å | ||
| 50 | K | 42 | Very low | 36.4 | Very low | 185 Ų | 185 | 136.7 Ų | 136.7 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | -89.9 | 104.1 | 173.8 | -171.2 | 174.6 | 179.1 | -175.2 | 0 | 107.4 | ||||
| 51 | D | 34.6 | Very low | 35.6 | Very low | 113 Ų | 113 | 141.5 Ų | 141.5 | 60% | 0.604 | 78% | 0.775 | S | S | * | * | trans | -81.2 | 138.6 | 168.4 | -70 | -47.5 | 0 | 0 | 0 | 109.3 | K49 | K49-D51 WeakPolarHBondContact CE-OD1 3.41Å; K49-D51 IonicContact NZ-OD1 3.89Å | ||
| 52 | S | 33.9 | Very low | 35.9 | Very low | 115 Ų | 115 | 142 Ų | 142 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | 11.7 | 131.8 | 161.5 | 51.3 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 53 | D | 36.3 | Very low | 35 | Very low | 142 Ų | 142 | 140.1 Ų | 140.1 | 76% | 0.759 | 77% | 0.774 | S | S | * | * | trans | -66.7 | 137.3 | 167.2 | -58 | -61.8 | 0 | 0 | 0 | 112.9 | ||||
| 54 | D | 32.3 | Very low | 34.6 | Very low | 174 Ų | 174 | 140.4 Ų | 140.4 | 93% | 0.93 | 78% | 0.776 | S | S | * | * | trans | -151.4 | 147.6 | 147 | -94.8 | -50.1 | 0 | 0 | 0 | 109.4 | ||||
| 55 | A | 34.2 | Very low | 33.8 | Very low | 84 Ų | 84 | 140.6 Ų | 140.6 | 69% | 0.694 | 77% | 0.77 | S | S | * | * | trans | -89.9 | 168.6 | -159.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 56 | E | 36.9 | Very low | 33.4 | Very low | 168 Ų | 168 | 141.9 Ų | 141.9 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | trans | 113.8 | 123.8 | 152.4 | -59.2 | -62.4 | 150.4 | 0 | 0 | 119.2 | ||||
| 57 | E | 32.3 | Very low | 33.7 | Very low | 155 Ų | 155 | 140.7 Ų | 140.7 | 72% | 0.724 | 77% | 0.769 | S | S | * | * | trans | 53.1 | 112.6 | 148.2 | -88.5 | -173 | 131.7 | 0 | 0 | 125 | ||||
| 58 | L | 32.4 | Very low | 33.6 | Very low | 138 Ų | 138 | 142.5 Ų | 142.5 | 72% | 0.723 | 77% | 0.77 | S | S | * | * | 74.8 | 130 | 122.8 | -74 | 173.7 | 0 | 0 | 0 | 124.2 | |||||
| 59 | T | 29.1 | Very low | 33.6 | Very low | 142 Ų | 142 | 145 Ų | 145 | 87% | 0.871 | 77% | 0.773 | S | S | * | * | trans | 95 | 150.8 | 146.2 | 70.4 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 60 | A | 32 | Very low | 33.5 | Very low | 88 Ų | 88 | 141.5 Ų | 141.5 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | trans | -112.2 | 152.9 | -149.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 61 | E | 30.5 | Very low | 33.1 | Very low | 178 Ų | 178 | 142.5 Ų | 142.5 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | trans | 67.9 | 162.9 | 149.1 | -78.3 | -112.8 | 140 | 0 | 0 | 118.5 | ||||
| 62 | P | 46.4 | Very low | 32.9 | Very low | 97 Ų | 97 | 146.7 Ų | 146.7 | 63% | 0.63 | 79% | 0.794 | S | S | * | * | -117.7 | 176.1 | -87.5 | 26.5 | -3.8 | 0 | 0 | 0 | 111.4 | |||||
| 63 | L | 27.9 | Very low | 32.8 | Very low | 163 Ų | 163 | 145.2 Ų | 145.2 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | trans | 159.6 | 114.1 | 142.5 | -84.5 | 163.2 | 0 | 0 | 0 | 112.8 | ||||
| 64 | K | 28.4 | Very low | 33 | Very low | 183 Ų | 183 | 143.8 Ų | 143.8 | 80% | 0.796 | 79% | 0.787 | S | S | * | * | 19.1 | 125.4 | 126.6 | -107.5 | 172.7 | -175.3 | 175.7 | 0 | 119.1 | |||||
| 65 | I | 26.4 | Very low | 32.9 | Very low | 140 Ų | 140 | 145.9 Ų | 145.9 | 72% | 0.718 | 78% | 0.783 | S | S | * | * | 151.1 | 128.9 | 116.3 | -82 | 151 | 0 | 0 | 0 | 113.5 | |||||
| 66 | E | 28.6 | Very low | 32.9 | Very low | 187 Ų | 187 | 150 Ų | 150 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | trans | 67.9 | 148.9 | 147.4 | -75 | 171.3 | 175.9 | 0 | 0 | 125.3 | ||||
| 67 | A | 38.7 | Very low | 32.8 | Very low | 79 Ų | 79 | 150.1 Ų | 150.1 | 65% | 0.653 | 79% | 0.789 | S | S | * | * | trans | -65.2 | 158.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 68 | D | 29.8 | Very low | 32.7 | Very low | 161 Ų | 161 | 148.4 Ų | 148.4 | 86% | 0.861 | 79% | 0.789 | S | S | * | * | -166.1 | 158 | 122.1 | -94 | -20.1 | 0 | 0 | 0 | 112.3 | |||||
| 69 | E | 35.1 | Very low | 32.8 | Very low | 185 Ų | 185 | 150.6 Ų | 150.6 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | trans | -71.1 | 174.2 | -168.9 | -58.1 | 176.7 | 134.2 | 0 | 0 | 114.2 | ||||
| 70 | A | 35.8 | Very low | 33.4 | Very low | 95 Ų | 95 | 148.5 Ų | 148.5 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | trans | 90.7 | 94.3 | 161.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 71 | F | 32.7 | Very low | 33.1 | Very low | 205 Ų | 205 | 150.7 Ų | 150.7 | 90% | 0.899 | 79% | 0.79 | S | S | * | * | -160.8 | 89.3 | 124.1 | -143.3 | -103.9 | 0 | 0 | 0 | 111.3 | |||||
| 72 | F | 31.6 | Very low | 33.3 | Very low | 202 Ų | 202 | 150.9 Ų | 150.9 | 89% | 0.886 | 79% | 0.791 | S | S | * | * | trans | -105.3 | 124.3 | 165.7 | -119.7 | -90.1 | 0 | 0 | 0 | 108.1 | ||||
| 73 | A | 30.6 | Very low | 32.5 | Very low | 83 Ų | 83 | 152.1 Ų | 152.1 | 69% | 0.686 | 80% | 0.796 | S | S | * | * | trans | -152.3 | 113.1 | 156.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 74 | P | 40.9 | Very low | 32.6 | Very low | 113 Ų | 113 | 151.3 Ų | 151.3 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | trans | -84.2 | 152.6 | 174.4 | 4.1 | 14 | 0 | 0 | 0 | 111.5 | ||||
| 75 | Y | 30.2 | Very low | 32.8 | Very low | 217 Ų | 217 | 151 Ų | 151 | 85% | 0.851 | 80% | 0.8 | S | S | * | * | trans | -135.8 | 101.2 | 166 | -162.9 | -96.1 | 0 | 0 | 0 | 110.4 | ||||
| 76 | E | 34 | Very low | 33.1 | Very low | 172 Ų | 172 | 153.4 Ų | 153.4 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | -140.6 | 142.9 | 157.5 | -129 | 179.5 | -166.2 | 0 | 0 | 109.2 | ||||
| 77 | E | 35.9 | Very low | 33.4 | Very low | 170 Ų | 170 | 149.1 Ų | 149.1 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | trans | 85.6 | 103 | 158.2 | -59.9 | -174.2 | 162.4 | 0 | 0 | 121 | ||||
| 78 | V | 30.6 | Very low | 32.9 | Very low | 119 Ų | 119 | 152.4 Ų | 152.4 | 72% | 0.721 | 81% | 0.81 | S | S | * | * | trans | -149.5 | 125.8 | 154.8 | 164.4 | 0 | 0 | 0 | 0 | 103.8 | ||||
| 79 | F | 33.7 | Very low | 33 | Very low | 184 Ų | 184 | 152.6 Ų | 152.6 | 81% | 0.807 | 81% | 0.806 | S | S | * | * | cis | -175.6 | -168.9 | 6.1 | -128.9 | -84.2 | 0 | 0 | 0 | 106.6 | ||||
| 80 | P | 41.3 | Very low | 32.8 | Very low | 97 Ų | 97 | 152 Ų | 152 | 63% | 0.63 | 81% | 0.807 | S | S | * | * | -106.3 | 179.9 | -117.1 | 46.8 | -32 | 0 | 0 | 0 | 115.1 | |||||
| 81 | C | 26.9 | Very low | 32.5 | Very low | 135 Ų | 135 | 156 Ų | 156 | 91% | 0.912 | 81% | 0.807 | S | S | * | * | trans | -134.1 | 135.8 | 155.1 | -127 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 82 | E | 33.9 | Very low | 32.5 | Very low | 181 Ų | 181 | 152.6 Ų | 152.6 | 85% | 0.846 | 80% | 0.803 | S | S | * | * | trans | -83.3 | 142.6 | -161.7 | -61.4 | 174.9 | 163.1 | 0 | 0 | 114.5 | ||||
| 83 | V | 29.3 | Very low | 32.4 | Very low | 123 Ų | 123 | 150.1 Ų | 150.1 | 75% | 0.745 | 80% | 0.799 | S | S | * | * | trans | -11.2 | 135.5 | 153.2 | -171.6 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 84 | T | 29.8 | Very low | 32.3 | Very low | 147 Ų | 147 | 151.4 Ų | 151.4 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | -151.4 | 103.9 | 122.5 | 35 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 85 | E | 33.5 | Very low | 32 | Very low | 177 Ų | 177 | 153.3 Ų | 153.3 | 83% | 0.827 | 81% | 0.807 | S | S | * | * | trans | -91.9 | 140.8 | 163.3 | -66.8 | -173.5 | 152 | 0 | 0 | 109.7 | ||||
| 86 | Q | 33.2 | Very low | 32.5 | Very low | 189 Ų | 189 | 150.8 Ų | 150.8 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | trans | -127.6 | 98 | 150.8 | -91 | -178 | -9.2 | 0 | 0 | 107.5 | ||||
| 87 | S | 33.1 | Very low | 32.7 | Very low | 98 Ų | 98 | 150.1 Ų | 150.1 | 69% | 0.685 | 80% | 0.8 | S | S | * | * | trans | 26.7 | 125.8 | 134.5 | 56.3 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 88 | V | 29 | Very low | 32.4 | Very low | 147 Ų | 147 | 149 Ų | 149 | 89% | 0.891 | 80% | 0.799 | S | S | * | * | -155.9 | 129.5 | 105.1 | -177.6 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 89 | E | 31.8 | Very low | 32.7 | Very low | 165 Ų | 165 | 151.6 Ų | 151.6 | 77% | 0.771 | 80% | 0.804 | S | S | * | * | trans | -73 | 147.8 | -180 | -55.3 | 164.4 | 152.9 | 0 | 0 | 113.1 | ||||
| 90 | I | 30.3 | Very low | 32.5 | Very low | 173 Ų | 173 | 149.2 Ų | 149.2 | 89% | 0.887 | 80% | 0.799 | S | S | * | * | trans | -139.1 | 120.9 | 142 | -55.8 | -177.8 | 0 | 0 | 0 | 108.7 | ||||
| 91 | K | 30.7 | Very low | 32.2 | Very low | 179 Ų | 179 | 148.6 Ų | 148.6 | 78% | 0.778 | 80% | 0.802 | S | S | * | * | trans | -58.4 | 136 | 178.4 | -79.2 | 161 | 168.8 | 163.6 | 0 | 113.2 | ||||
| 92 | T | 32.2 | Very low | 32.6 | Very low | 134 Ų | 134 | 149.9 Ų | 149.9 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | trans | -93.4 | 129.4 | 150.8 | 49.2 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 93 | D | 28.6 | Very low | 32.5 | Very low | 150 Ų | 150 | 148.3 Ų | 148.3 | 80% | 0.802 | 79% | 0.788 | S | S | * | * | trans | -155.8 | 149 | 161.4 | -119.3 | -29.3 | 0 | 0 | 0 | 112.2 | ||||
| 94 | S | 30.1 | Very low | 32.7 | Very low | 110 Ų | 110 | 149.4 Ų | 149.4 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | trans | 90.2 | 107.2 | 155.6 | -58.3 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 95 | D | 33.5 | Very low | 33 | Very low | 153 Ų | 153 | 152.2 Ų | 152.2 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -65.2 | 171.7 | 159.4 | -66.2 | -65.5 | 0 | 0 | 0 | 114.8 | ||||
| 96 | E | 42.1 | Very low | 33.1 | Very low | 164 Ų | 164 | 152.2 Ų | 152.2 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | trans | 119.5 | 112.5 | 144.2 | -57.1 | -150.5 | 169.5 | 0 | 0 | 119.7 | ||||
| 97 | E | 36.3 | Very low | 33 | Very low | 158 Ų | 158 | 149 Ų | 149 | 74% | 0.738 | 78% | 0.782 | S | S | * | * | trans | 79.6 | 115.7 | 131.4 | -61.5 | -172 | 168.6 | 0 | 0 | 123.6 | ||||
| 98 | D | 30.2 | Very low | 33 | Very low | 145 Ų | 145 | 152.5 Ų | 152.5 | 78% | 0.775 | 79% | 0.792 | S | S | * | * | 35.9 | 131.7 | 129.3 | -61.9 | -54.2 | 0 | 0 | 0 | 123.5 | |||||
| 99 | E | 37.8 | Very low | 33.4 | Very low | 175 Ų | 175 | 153.1 Ų | 153.1 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | 170.8 | 127.6 | 111.6 | -88.4 | -164.5 | 172.1 | 0 | 0 | 112.9 | |||||
| 100 | D | 29.4 | Very low | 33.5 | Very low | 133 Ų | 133 | 150.3 Ų | 150.3 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | trans | 65.4 | 121.1 | 135.8 | -63.7 | -57 | 0 | 0 | 0 | 126.8 | ||||
| 101 | A | 33.5 | Very low | 33.4 | Very low | 85 Ų | 85 | 146 Ų | 146 | 70% | 0.702 | 79% | 0.788 | S | S | * | * | 76.6 | 158.9 | 120.5 | 0 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 102 | E | 35.8 | Very low | 33.5 | Very low | 161 Ų | 161 | 141.6 Ų | 141.6 | 75% | 0.752 | 79% | 0.793 | S | S | * | * | trans | 89.4 | 91.6 | 173.8 | -61 | -69.7 | 141.4 | 0 | 0 | 115.6 | ||||
| 103 | E | 33.3 | Very low | 33.4 | Very low | 149 Ų | 149 | 139.3 Ų | 139.3 | 70% | 0.696 | 80% | 0.797 | S | S | * | * | 55.6 | 99.2 | 74.4 | -166.2 | 167.9 | 171.7 | 0 | 0 | 113.4 | |||||
| 104 | T | 33.5 | Very low | 33.7 | Very low | 146 Ų | 146 | 136.7 Ų | 136.7 | 90% | 0.896 | 80% | 0.796 | S | S | * | * | trans | -144.7 | 88.2 | 147.3 | 26.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 105 | R | 36 | Very low | 34.9 | Very low | 206 Ų | 206 | 136.5 Ų | 136.5 | 78% | 0.777 | 79% | 0.792 | S | S | * | * | trans | -70.2 | 123.3 | 152.6 | -90.8 | 177 | 142.3 | 172.4 | -4.8 | 108.3 | ||||
| 106 | L | 33.9 | Very low | 34.9 | Very low | 177 Ų | 177 | 136.6 Ų | 136.6 | 93% | 0.927 | 79% | 0.793 | S | S | * | * | trans | -132.7 | 113.3 | 143.6 | -87 | 178.4 | 0 | 0 | 0 | 109.9 | ||||
| 107 | L | 32.4 | Very low | 34.7 | Very low | 122 Ų | 122 | 131.5 Ų | 131.5 | 64% | 0.639 | 78% | 0.784 | S | S | * | * | trans | -60.8 | 153.2 | 165.3 | -71.5 | 150.1 | 0 | 0 | 0 | 111 | ||||
| 108 | L | 31.8 | Very low | 34.9 | Very low | 171 Ų | 171 | 132.5 Ų | 132.5 | 90% | 0.895 | 79% | 0.788 | S | S | * | * | -161.3 | 135.1 | 117.5 | -97 | 166.7 | 0 | 0 | 0 | 110.6 | |||||
| 109 | E | 37.4 | Very low | 35.7 | Very low | 160 Ų | 160 | 130 Ų | 130 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | trans | -85.2 | 163 | -165.3 | -67.1 | 145.2 | 124.4 | 0 | 0 | 114.7 | ||||
| 110 | A | 33.7 | Very low | 35.7 | Very low | 106 Ų | 106 | 129.3 Ų | 129.3 | 88% | 0.876 | 79% | 0.79 | S | S | * | * | 164.8 | 133.7 | 117.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 111 | G | 29.7 | Very low | 36.8 | Very low | 82 Ų | 82 | 131 Ų | 131 | 85% | 0.845 | 80% | 0.798 | S | S | * | * | cis | 168.1 | 159.7 | 2.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 112 | G | 32.4 | Very low | 37.3 | Very low | 86 Ų | 86 | 134.4 Ų | 134.4 | 89% | 0.887 | 81% | 0.805 | S | S | * | * | trans | 124.8 | 96.9 | 153.8 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 113 | G | 30.4 | Very low | 38.5 | Very low | 87 Ų | 87 | 137.9 Ų | 137.9 | 90% | 0.897 | 81% | 0.811 | S | S | * | * | trans | 90.2 | 108.6 | 134.4 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 114 | A | 33.4 | Very low | 38.9 | Very low | 94 Ų | 94 | 137.9 Ų | 137.9 | 78% | 0.777 | 82% | 0.815 | S | S | * | * | trans | -106.6 | -175.3 | 158.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 115 | P | 57 | Low | 39.3 | Very low | 107 Ų | 107 | 140.3 Ų | 140.3 | 70% | 0.695 | 81% | 0.81 | S | S | * | * | cis | -119.9 | -176 | -26.1 | 21.4 | 3.5 | 0 | 0 | 0 | 110.1 | ||||
| 116 | D | 33.9 | Very low | 39.7 | Very low | 155 Ų | 155 | 140.6 Ų | 140.6 | 83% | 0.829 | 81% | 0.812 | S | S | * | * | -176.5 | 145.4 | 99.6 | -63.2 | -33.4 | 0 | 0 | 0 | 109.7 | |||||
| 117 | G | 37.2 | Very low | 40.6 | Very low | 56 Ų | 56 | 138.7 Ų | 138.7 | 58% | 0.577 | 80% | 0.798 | S | S | * | * | trans | 112.4 | 110.3 | 149.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 118 | E | 40.5 | Very low | 41.5 | Very low | 179 Ų | 179 | 137.4 Ų | 137.4 | 84% | 0.836 | 80% | 0.797 | S | S | * | * | trans | 41 | 120.2 | 155.3 | 42.3 | -87.2 | -177.2 | 0 | 0 | 122.9 | ||||
| 119 | A | 45.8 | Very low | 42.7 | Very low | 93 Ų | 93 | 137 Ų | 137 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | trans | -75.4 | 129.1 | 155.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 120 | D | 39.2 | Very low | 43.5 | Very low | 160 Ų | 160 | 131.9 Ų | 131.9 | 86% | 0.856 | 78% | 0.781 | S | S | * | * | trans | -142.1 | 125.1 | 149.9 | -88.4 | -43.3 | 0 | 0 | 0 | 109.8 | D122 | D120-D122 PolarHBondContact O-N 3.34Š| ||
| 121 | L | 51.8 | Low | 44.4 | Very low | 168 Ų | 168 | 136.8 Ų | 136.8 | 88% | 0.88 | 78% | 0.777 | S | S | * | * | trans | -79.9 | 105.6 | -178.8 | -69.9 | 163.7 | 0 | 0 | 0 | 109 | ||||
| 122 | D | 45.2 | Very low | 46.4 | Very low | 158 Ų | 158 | 137.9 Ų | 137.9 | 85% | 0.845 | 76% | 0.76 | S | S | * | * | trans | -125.1 | 98.8 | 153 | -92.8 | -44.3 | 0 | 0 | 0 | 110.5 | D120 D124 | D120-D122 PolarHBondContact O-N 3.34Å; D122-D124 PolarHBondContact O-N 3.18Å | ||
| 123 | R | 60.2 | Low | 48.5 | Very low | 234 Ų | 234 | 138 Ų | 138 | 88% | 0.883 | 73% | 0.734 | S | S | * | * | trans | -65.3 | 102.4 | 160.6 | 164.3 | 158 | 60.8 | 177.8 | -1.3 | 107.2 | ||||
| 124 | D | 40.6 | Very low | 51.2 | Low | 148 Ų | 148 | 141.6 Ų | 141.6 | 79% | 0.791 | 72% | 0.721 | S | S | * | * | trans | -155.9 | 136.6 | 153.8 | -94.6 | -40.3 | 0 | 0 | 0 | 113.6 | D122 | D122-D124 PolarHBondContact O-N 3.18Š| ||
| 125 | Y | 43.2 | Very low | 53.7 | Low | 197 Ų | 197 | 137.2 Ų | 137.2 | 77% | 0.773 | 68% | 0.684 | S | S | * | * | trans | 70.9 | 79.9 | 161.4 | -135.8 | -102.2 | 0 | 0 | 0 | 118.1 | E127 | Y125-E127 VanDerWaalsContact C-N 3.27Å; Y125-E127 HydrophobicContact CD1-CB 4.18Å; Y125-E127 HydrophobicContact CE1-CB 4.46Å; Y125-E127 PolarHBondContact O-N 2.94Å | ||
| 126 | Y | 43.9 | Very low | 54.7 | Low | 213 Ų | 213 | 136.6 Ų | 136.6 | 84% | 0.835 | 68% | 0.683 | S | S | * | * | trans | -60.1 | 91.4 | 155.2 | -167.9 | -95.3 | 0 | 0 | 0 | 108.7 | P128 | Y126-P128 HydrophobicContact CD1-CB 4.14Å; Y126-P128 HydrophobicContact CD1-CG 4.32Å; Y126-P128 HydrophobicContact CE1-CB 3.94Å; Y126-P128 WeakPolarHBondContact O-CD 3.47Å | ||
| 127 | E | 53.4 | Low | 56.6 | Low | 136 Ų | 136 | 136.8 Ų | 136.8 | 64% | 0.636 | 67% | 0.673 | S | S | * | * | trans | -76.4 | 105.7 | 166.7 | -162.2 | 173.2 | -172.2 | 0 | 0 | 107 | Y125 E129 | Y125-E127 VanDerWaalsContact C-N 3.27Å; Y125-E127 HydrophobicContact CD1-CB 4.18Å; Y125-E127 HydrophobicContact CE1-CB 4.46Å; Y125-E127 PolarHBondContact O-N 2.94Å; E127-E129 PolarHBondContact O-N 3.49Å | ||
| 128 | P | 51.1 | Low | 58.7 | Low | 95 Ų | 95 | 136.6 Ų | 136.6 | 62% | 0.617 | 66% | 0.662 | S | S | * | * | trans | -80.1 | 80.4 | 174.7 | 23.8 | -8.5 | 0 | 0 | 0 | 105.7 | Y126 G130 | Y126-P128 HydrophobicContact CD1-CB 4.14Å; Y126-P128 HydrophobicContact CD1-CG 4.32Å; Y126-P128 HydrophobicContact CE1-CB 3.94Å; Y126-P128 WeakPolarHBondContact O-CD 3.47Å; P128-G130 PolarHBondContact O-N 3.27Å | ||
| 129 | E | 55.9 | Low | 60.5 | Low | 163 Ų | 163 | 129.3 Ų | 129.3 | 76% | 0.762 | 64% | 0.635 | S | S | * | * | trans | -56.9 | 102.4 | 161.2 | -82 | -158.1 | 143.7 | 0 | 0 | 106.3 | E127 R131 | E127-E129 PolarHBondContact O-N 3.49Å; E129-R131 PolarHBondContact O-N 3.11Å | ||
| 130 | G | 55.4 | Low | 62.2 | Low | 52 Ų | 52 | 130.3 Ų | 130.3 | 54% | 0.536 | 62% | 0.622 | S | S | . | * | trans | -47.8 | 112.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | P128 Q132 | P128-G130 PolarHBondContact O-N 3.27Å; G130-Q132 VanDerWaalsContact C-N 3.26Å; G130-Q132 VanDerWaalsContact O-CG 3.3Å; G130-Q132 WeakPolarHBondContact O-CG 3.21Å; G130-Q132 PolarHBondContact O-N 3.25Å | ||
| 131 | R | 52.8 | Low | 64.3 | Low | 210 Ų | 210 | 130 Ų | 130 | 79% | 0.792 | 61% | 0.609 | S | S | * | * | trans | -57.5 | 94.3 | -175.6 | -141.3 | 178.9 | -148.8 | -154.3 | 5.9 | 107.7 | E129 Y133 | E129-R131 PolarHBondContact O-N 3.11Å; R131-Y133 WeakPolarHBondContact O-CD2 3.41Å; R131-Y133 WeakPolarHBondContact O-CE2 3.39Å; R131-Y133 PolarHBondContact O-N 3.04Å | ||
| 132 | Q | 70.9 | Confident | 65.8 | Low | 104 Ų | 104 | 124.5 Ų | 124.5 | 49% | 0.486 | 58% | 0.577 | S | S | . | * | trans | -82.3 | 109.6 | -171.7 | -86.8 | 165.8 | 32 | 0 | 0 | 107.5 | G130 R134 R141 Y142 | G130-Q132 VanDerWaalsContact C-N 3.26Å; G130-Q132 VanDerWaalsContact O-CG 3.3Å; G130-Q132 WeakPolarHBondContact O-CG 3.21Å; G130-Q132 PolarHBondContact O-N 3.25Å; Q132-R134 PolarHBondContact O-N 3.35Å; Q132-R141 HydrophobicContact CB-CB 4.43Å; Q132-Y142 CarbonylContact C-O 3.44Å; Q132-Y142 WeakPolarHBondContact CA-O 3.41Å | ||
| 133 | Y | 76.8 | Confident | 67.6 | Low | 88 Ų | 88 | 121.2 Ų | 121.2 | 35% | 0.345 | 57% | 0.566 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -69.7 | 115.7 | -179.4 | -63.8 | -84 | 0 | 0 | 0 | 109 | R131 R141 Y142 A145 | R131-Y133 WeakPolarHBondContact O-CD2 3.41Å; R131-Y133 WeakPolarHBondContact O-CE2 3.39Å; R131-Y133 PolarHBondContact O-N 3.04Å; Y133-R141 CarbonylContact O-C 3.54Å; Y133-R141 WeakPolarHBondContact O-CA 3.39Å; Y133-Y142 PolarHBondContact N-O 3.4Å; Y133-Y142 PolarHBondContact O-N 3.43Å; Y133-A145 HydrophobicContact CD1-CB 3.87Å; Y133-A145 HydrophobicContact CD2-CB 4.42Å; Y133-A145 HydrophobicContact CE1-CB 3.57Å; Y133-A145 HydrophobicContact CE2-CB 4.17Å; Y133-A145 VanDerWaalsContact CE2-N 3.31Å; Y133-A145 HydrophobicContact CG-CB 4.28Å |
| 134 | R | 86.1 | Confident | 68.6 | Low | 164 Ų | 164 | 115.5 Ų | 115.5 | 62% | 0.619 | 55% | 0.549 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 132.8 | -176.8 | -169.8 | -178 | -177.3 | -145.3 | 0 | 111.4 | Q132 S136 G139 K140 R141 L148 | Q132-R134 PolarHBondContact O-N 3.35Å; R134-S136 PolarHBondContact O-N 3.49Å; R134-G139 WeakPolarHBondContact CG-O 3.21Å; R134-G139 PolarHBondContact NE-O 3.32Å; R134-K140 CarbonylContact C-O 3.6Å; R134-K140 WeakPolarHBondContact CA-O 3.48Å; R134-R141 HydrophobicContact CB-CG 4.47Å; R134-R141 HydrophobicContact CG-CG 4.25Å; R134-L148 WeakPolarHBondContact O-CD1 3.44Å |
| 135 | C | 85.9 | Confident | 70.4 | Confident | 1 Ų | 1 | 110.7 Ų | 110.7 | 1% | 0.007 | 53% | 0.53 | C | S | . | . | trans | -75.4 | 124.5 | 175.4 | -175 | 0 | 0 | 0 | 0 | 110.6 | Y137 G139 K140 Y142 L148 H155 | C135-Y137 VanDerWaalsContact C-N 3.31Å; C135-Y137 PolarHBondContact O-N 3.35Å; C135-G139 WeakPolarHBondContact O-CA 3.33Å; C135-G139 PolarHBondContact O-N 3.42Å; C135-K140 PolarHBondContact N-O 3.08Å; C135-Y142 HydrophobicContact CB-CE2 4.47Å; C135-L148 HydrophobicContact CB-CD1 3.9Å; C135-H155 PolarHBondContact SG-CD2 3.44Å; C135-H155 PolarHBondContact SG-NE2 3.46Å; C135-H155 VanDerWaalsContact SG-NE2 3.44Å | ||
| 136 | S | 79.1 | Confident | 72.2 | Confident | 95 Ų | 95 | 105.5 Ų | 105.5 | 66% | 0.664 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -34.9 | 177.4 | 47.6 | 0 | 0 | 0 | 0 | 113.2 | R134 | R134-S136 PolarHBondContact O-N 3.49Š|
| 137 | Y | 73.1 | Confident | 74.2 | Confident | 159 Ų | 159 | 97 Ų | 97 | 62% | 0.624 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -27.8 | -175.4 | -62.9 | -78 | 0 | 0 | 0 | 114.7 | C135 H155 | C135-Y137 VanDerWaalsContact C-N 3.31Å; C135-Y137 PolarHBondContact O-N 3.35Å; Y137-H155 HydrophobicContact CD2-CB 4.21Å; Y137-H155 HydrophobicContact CG-CB 4.22Å |
| 138 | C | 81.7 | Confident | 75.7 | Confident | 52 Ų | 52 | 91.5 Ų | 91.5 | 35% | 0.351 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -140.7 | 9.4 | -177.1 | 78.7 | 0 | 0 | 0 | 0 | 115.2 | K140 H151 H155 | C138-K140 PolarHBondContact O-N 3.39Å; C138-K140 VanDerWaalsContact SG-CG 3.58Å; C138-H151 PolarHBondContact SG-NE2 2.95Å; C138-H155 VanDerWaalsContact SG-CE1 3.55Å; C138-H155 PolarHBondContact SG-NE2 3.17Å |
| 139 | G | 78.8 | Confident | 77.2 | Confident | 25 Ų | 25 | 91 Ų | 91 | 26% | 0.258 | 46% | 0.455 | S | S | . | . | trans | 67.8 | 5.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | R134 C135 | R134-G139 WeakPolarHBondContact CG-O 3.21Å; R134-G139 PolarHBondContact NE-O 3.32Å; C135-G139 WeakPolarHBondContact O-CA 3.33Å; C135-G139 PolarHBondContact O-N 3.42Å | ||
| 140 | K | 81.3 | Confident | 78.4 | Confident | 115 Ų | 115 | 91.7 Ų | 91.7 | 50% | 0.5 | 45% | 0.451 | S | S | . | . | trans | -70.1 | 138.2 | -178.8 | -72 | 176.8 | -169.9 | 174.2 | 0 | 111.2 | R134 C135 C138 Y142 | R134-K140 CarbonylContact C-O 3.6Å; R134-K140 WeakPolarHBondContact CA-O 3.48Å; C135-K140 PolarHBondContact N-O 3.08Å; C138-K140 PolarHBondContact O-N 3.39Å; C138-K140 VanDerWaalsContact SG-CG 3.58Å; K140-Y142 HydrophobicContact CB-CE2 3.62Å; K140-Y142 WeakPolarHBondContact O-CD2 3.44Å; K140-Y142 WeakPolarHBondContact O-CE2 3.43Å | ||
| 141 | R | 83.6 | Confident | 79.6 | Confident | 153 Ų | 153 | 90.2 Ų | 90.2 | 58% | 0.577 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101 | 138.6 | -177.2 | -59.7 | 178.2 | 71.1 | 108.3 | -5.7 | 110.4 | Q132 Y133 R134 | Q132-R141 HydrophobicContact CB-CB 4.43Å; Y133-R141 CarbonylContact O-C 3.54Å; Y133-R141 WeakPolarHBondContact O-CA 3.39Å; R134-R141 HydrophobicContact CB-CG 4.47Å; R134-R141 HydrophobicContact CG-CG 4.25Å |
| 142 | Y | 83.5 | Confident | 81 | Confident | 53 Ų | 53 | 82.7 Ų | 82.7 | 21% | 0.208 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 145.6 | -176.5 | -64.5 | -87.5 | 0 | 0 | 0 | 110.1 | Q132 Y133 C135 K140 H144 L148 H151 | Q132-Y142 CarbonylContact C-O 3.44Å; Q132-Y142 WeakPolarHBondContact CA-O 3.41Å; Y133-Y142 PolarHBondContact N-O 3.4Å; Y133-Y142 PolarHBondContact O-N 3.43Å; C135-Y142 HydrophobicContact CB-CE2 4.47Å; K140-Y142 HydrophobicContact CB-CE2 3.62Å; K140-Y142 WeakPolarHBondContact O-CD2 3.44Å; K140-Y142 WeakPolarHBondContact O-CE2 3.43Å; Y142-H144 VanDerWaalsContact C-N 3.3Å; Y142-H144 PolarHBondContact O-N 2.95Å; Y142-L148 HydrophobicContact CD2-CB 4.21Å; Y142-L148 HydrophobicContact CD2-CD1 3.69Å; Y142-L148 HydrophobicContact CE2-CD1 4.24Å; Y142-L148 HydrophobicContact CG-CB 4.42Å; Y142-H151 HydrophobicContact CE1-CB 4.08Å; Y142-H151 HydrophobicContact CE2-CB 4.01Å; Y142-H151 AromaticContact CE2-CD2 3.25Å; Y142-H151 WeakPolarHBondContact CE2-CD2 3.49Å; Y142-H151 AromaticContact CE2-CG 3.71Å; Y142-H151 AromaticContact CZ-CD2 3.39Å; Y142-H151 AromaticContact CZ-CG 3.37Å; Y142-H151 PolarHBondContact OH-CD2 3.49Å; Y142-H151 PolarHBondContact OH-CE1 3.28Å; Y142-H151 PolarHBondContact OH-ND1 3.39Å; Y142-H151 VanDerWaalsContact OH-ND1 3.16Å; Y142-H151 PolarHBondContact OH-NE2 2.89Å |
| 143 | S | 81.8 | Confident | 81.5 | Confident | 88 Ų | 88 | 80.3 Ų | 80.3 | 62% | 0.615 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -74.8 | -18.7 | 178.7 | 53.2 | 0 | 0 | 0 | 0 | 113.8 | ||
| 144 | H | 81.3 | Confident | 81.4 | Confident | 114 Ų | 114 | 80.6 Ų | 80.6 | 53% | 0.528 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -139.8 | 142.7 | -175.7 | -66.3 | 78.5 | 0 | 0 | 0 | 112 | Y142 S146 S147 L148 | Y142-H144 VanDerWaalsContact C-N 3.3Å; Y142-H144 PolarHBondContact O-N 2.95Å; H144-S146 VanDerWaalsContact C-N 3.29Å; H144-S146 PolarHBondContact O-N 3.47Å; H144-S147 WeakPolarHBondContact O-CB 3.34Å; H144-S147 PolarHBondContact O-N 3.26Å; H144-L148 PolarHBondContact O-N 3.45Å; H144-L148 VanDerWaalsContact O-N 3.16Å |
| 145 | A | 79.7 | Confident | 80.8 | Confident | 48 Ų | 48 | 76.4 Ų | 76.4 | 40% | 0.397 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -57 | -39.5 | 180 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y133 S147 L148 Y149 | Y133-A145 HydrophobicContact CD1-CB 3.87Å; Y133-A145 HydrophobicContact CD2-CB 4.42Å; Y133-A145 HydrophobicContact CE1-CB 3.57Å; Y133-A145 HydrophobicContact CE2-CB 4.17Å; Y133-A145 VanDerWaalsContact CE2-N 3.31Å; Y133-A145 HydrophobicContact CG-CB 4.28Å; A145-S147 VanDerWaalsContact C-N 3.28Å; A145-S147 PolarHBondContact O-N 3.43Å; A145-L148 WeakPolarHBondContact O-CB 3.5Å; A145-L148 PolarHBondContact O-N 3.31Å; A145-Y149 WeakPolarHBondContact O-CB 3.44Å; A145-Y149 PolarHBondContact O-N 3.29Å |
| 146 | S | 80.9 | Confident | 79.7 | Confident | 87 Ų | 87 | 79.3 Ų | 79.3 | 61% | 0.608 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -68 | -26.7 | 178.5 | 37.3 | 0 | 0 | 0 | 0 | 113.2 | H144 R150 | H144-S146 VanDerWaalsContact C-N 3.29Å; H144-S146 PolarHBondContact O-N 3.47Å; S146-R150 PolarHBondContact O-N 3.25Å |
| 147 | S | 84.3 | Confident | 78.3 | Confident | 35 Ų | 35 | 77.7 Ų | 77.7 | 25% | 0.245 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -77.1 | -38 | 172.8 | -67.8 | 0 | 0 | 0 | 0 | 112.3 | H144 A145 H151 | H144-S147 WeakPolarHBondContact O-CB 3.34Å; H144-S147 PolarHBondContact O-N 3.26Å; A145-S147 VanDerWaalsContact C-N 3.28Å; A145-S147 PolarHBondContact O-N 3.43Å; S147-H151 WeakPolarHBondContact O-CB 3.5Å; S147-H151 PolarHBondContact O-N 2.81Å; S147-H151 VanDerWaalsContact O-N 3.14Å |
| 148 | L | 86.6 | Confident | 77.4 | Confident | 21 Ų | 21 | 81.3 Ų | 81.3 | 11% | 0.11 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -60.7 | -48.8 | 170.1 | 178.8 | 85.4 | 0 | 0 | 0 | 110.7 | R134 C135 Y142 H144 A145 R150 H151 Q152 | R134-L148 WeakPolarHBondContact O-CD1 3.44Å; C135-L148 HydrophobicContact CB-CD1 3.9Å; Y142-L148 HydrophobicContact CD2-CB 4.21Å; Y142-L148 HydrophobicContact CD2-CD1 3.69Å; Y142-L148 HydrophobicContact CE2-CD1 4.24Å; Y142-L148 HydrophobicContact CG-CB 4.42Å; H144-L148 PolarHBondContact O-N 3.45Å; H144-L148 VanDerWaalsContact O-N 3.16Å; A145-L148 WeakPolarHBondContact O-CB 3.5Å; A145-L148 PolarHBondContact O-N 3.31Å; L148-R150 PolarHBondContact O-N 3.44Å; L148-H151 CarbonylContact O-C 3.51Å; L148-H151 WeakPolarHBondContact O-CA 3.39Å; L148-H151 WeakPolarHBondContact O-CB 3.44Å; L148-H151 PolarHBondContact O-N 3.29Å; L148-Q152 HydrophobicContact CG-CG 4.28Å; L148-Q152 PolarHBondContact O-N 2.99Å |
| 149 | Y | 81.3 | Confident | 75.6 | Confident | 84 Ų | 84 | 84.9 Ų | 84.9 | 33% | 0.329 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -58.1 | -50.9 | -177.6 | -179.4 | -99.7 | 0 | 0 | 0 | 111.3 | A145 H151 Q152 Q153 P162 | A145-Y149 WeakPolarHBondContact O-CB 3.44Å; A145-Y149 PolarHBondContact O-N 3.29Å; Y149-H151 PolarHBondContact O-N 3.47Å; Y149-Q152 PolarHBondContact O-N 3.49Å; Y149-Q152 VanDerWaalsContact O-N 3.13Å; Y149-Q153 HydrophobicContact CD1-CG 4.48Å; Y149-Q153 HydrophobicContact CE1-CG 4.17Å; Y149-Q153 VanDerWaalsContact O-CG 3.3Å; Y149-Q153 WeakPolarHBondContact O-CG 3.42Å; Y149-Q153 PolarHBondContact O-N 3.21Å; Y149-Q153 PolarHBondContact OH-NE2 2.91Å; Y149-P162 HydrophobicContact CE1-CB 4.3Å; Y149-P162 VanDerWaalsContact OH-CA 3.26Å; Y149-P162 WeakPolarHBondContact OH-CA 3.25Å |
| 150 | R | 80.6 | Confident | 73.8 | Confident | 178 Ų | 178 | 86 Ų | 86 | 67% | 0.672 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -59.6 | -31.6 | 174.7 | -176.7 | 174 | 59.1 | -163.7 | -6 | 112.6 | S146 L148 | S146-R150 PolarHBondContact O-N 3.25Å; L148-R150 PolarHBondContact O-N 3.44Å |
| 151 | H | 82.3 | Confident | 72.2 | Confident | 21 Ų | 21 | 86.1 Ų | 86.1 | 10% | 0.097 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -76.4 | -37.4 | 175.8 | 171.5 | 59.6 | 0 | 0 | 0 | 113 | C138 Y142 S147 L148 Y149 Q153 T154 H155 | C138-H151 PolarHBondContact SG-NE2 2.95Å; Y142-H151 HydrophobicContact CE1-CB 4.08Å; Y142-H151 HydrophobicContact CE2-CB 4.01Å; Y142-H151 AromaticContact CE2-CD2 3.25Å; Y142-H151 WeakPolarHBondContact CE2-CD2 3.49Å; Y142-H151 AromaticContact CE2-CG 3.71Å; Y142-H151 AromaticContact CZ-CD2 3.39Å; Y142-H151 AromaticContact CZ-CG 3.37Å; Y142-H151 PolarHBondContact OH-CD2 3.49Å; Y142-H151 PolarHBondContact OH-CE1 3.28Å; Y142-H151 PolarHBondContact OH-ND1 3.39Å; Y142-H151 VanDerWaalsContact OH-ND1 3.16Å; Y142-H151 PolarHBondContact OH-NE2 2.89Å; S147-H151 WeakPolarHBondContact O-CB 3.5Å; S147-H151 PolarHBondContact O-N 2.81Å; S147-H151 VanDerWaalsContact O-N 3.14Å; L148-H151 CarbonylContact O-C 3.51Å; L148-H151 WeakPolarHBondContact O-CA 3.39Å; L148-H151 WeakPolarHBondContact O-CB 3.44Å; L148-H151 PolarHBondContact O-N 3.29Å; Y149-H151 PolarHBondContact O-N 3.47Å; H151-Q153 PolarHBondContact O-N 3.34Å; H151-T154 PolarHBondContact ND1-OG1 3.34Å; H151-T154 WeakPolarHBondContact O-CB 3.38Å; H151-T154 PolarHBondContact O-N 2.99Å; H151-T154 PolarHBondContact O-OG1 3.2Å; H151-H155 AromaticContact CE1-NE2 3.28Å; H151-H155 PolarHBondContact CE1-NE2 3.23Å; H151-H155 VanDerWaalsContact CE1-NE2 3.28Å; H151-H155 AromaticContact NE2-CD2 3.89Å; H151-H155 AromaticContact NE2-NE2 3.14Å; H151-H155 PolarHBondContact NE2-NE2 2.97Å; H151-H155 VanDerWaalsContact NE2-NE2 3.14Å |
| 152 | Q | 81.1 | Confident | 70.3 | Confident | 51 Ų | 51 | 83.1 Ų | 83.1 | 24% | 0.238 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -61.3 | -36.8 | 173 | -76.2 | 171.1 | -31 | 0 | 0 | 111.2 | L148 Y149 T154 H155 T156 | L148-Q152 HydrophobicContact CG-CG 4.28Å; L148-Q152 PolarHBondContact O-N 2.99Å; Y149-Q152 PolarHBondContact O-N 3.49Å; Y149-Q152 VanDerWaalsContact O-N 3.13Å; Q152-T154 PolarHBondContact O-N 3.17Å; Q152-T154 VanDerWaalsContact O-N 3.08Å; Q152-H155 WeakPolarHBondContact O-CB 3.4Å; Q152-H155 PolarHBondContact O-N 3.36Å; Q152-T156 PolarHBondContact O-N 3.49Å; Q152-T156 PolarHBondContact O-OG1 3Å |
| 153 | Q | 81.8 | Confident | 68.2 | Low | 54 Ų | 54 | 86.2 Ų | 86.2 | 25% | 0.252 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.3 | -12 | 172.6 | -64.6 | -64.6 | -7.7 | 0 | 0 | 114.5 | Y149 H151 T156 | Y149-Q153 HydrophobicContact CD1-CG 4.48Å; Y149-Q153 HydrophobicContact CE1-CG 4.17Å; Y149-Q153 VanDerWaalsContact O-CG 3.3Å; Y149-Q153 WeakPolarHBondContact O-CG 3.42Å; Y149-Q153 PolarHBondContact O-N 3.21Å; Y149-Q153 PolarHBondContact OH-NE2 2.91Å; H151-Q153 PolarHBondContact O-N 3.34Å; Q153-T156 PolarHBondContact OE1-OG1 3.5Å |
| 154 | T | 73.9 | Confident | 66.3 | Low | 95 Ų | 95 | 86.4 Ų | 86.4 | 58% | 0.583 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -87.9 | -18.6 | 172 | 65.4 | 0 | 0 | 0 | 0 | 113.4 | H151 Q152 | H151-T154 PolarHBondContact ND1-OG1 3.34Å; H151-T154 WeakPolarHBondContact O-CB 3.38Å; H151-T154 PolarHBondContact O-N 2.99Å; H151-T154 PolarHBondContact O-OG1 3.2Å; Q152-T154 PolarHBondContact O-N 3.17Å; Q152-T154 VanDerWaalsContact O-N 3.08Å |
| 155 | H | 73.6 | Confident | 64.2 | Low | 76 Ų | 76 | 87.8 Ų | 87.8 | 35% | 0.352 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -84.4 | -43.5 | 172.4 | -66.5 | -66.9 | 0 | 0 | 0 | 111 | C135 Y137 C138 H151 Q152 G157 | C135-H155 PolarHBondContact SG-CD2 3.44Å; C135-H155 PolarHBondContact SG-NE2 3.46Å; C135-H155 VanDerWaalsContact SG-NE2 3.44Å; Y137-H155 HydrophobicContact CD2-CB 4.21Å; Y137-H155 HydrophobicContact CG-CB 4.22Å; C138-H155 VanDerWaalsContact SG-CE1 3.55Å; C138-H155 PolarHBondContact SG-NE2 3.17Å; H151-H155 AromaticContact CE1-NE2 3.28Å; H151-H155 PolarHBondContact CE1-NE2 3.23Å; H151-H155 VanDerWaalsContact CE1-NE2 3.28Å; H151-H155 AromaticContact NE2-CD2 3.89Å; H151-H155 AromaticContact NE2-NE2 3.14Å; H151-H155 PolarHBondContact NE2-NE2 2.97Å; H151-H155 VanDerWaalsContact NE2-NE2 3.14Å; Q152-H155 WeakPolarHBondContact O-CB 3.4Å; Q152-H155 PolarHBondContact O-N 3.36Å; H155-G157 VanDerWaalsContact C-N 3.27Å; H155-G157 PolarHBondContact O-N 3.34Å |
| 156 | T | 64.1 | Low | 62.8 | Low | 61 Ų | 61 | 95 Ų | 95 | 37% | 0.374 | 54% | 0.537 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | 75.4 | 172.4 | 56.1 | 0 | 0 | 0 | 0 | 108.2 | Q152 Q153 R158 | Q152-T156 PolarHBondContact O-N 3.49Å; Q152-T156 PolarHBondContact O-OG1 3Å; Q153-T156 PolarHBondContact OE1-OG1 3.5Å; T156-R158 PolarHBondContact O-N 3.02Å |
| 157 | G | 49.4 | Very low | 60.9 | Low | 61 Ų | 61 | 102.1 Ų | 102.1 | 63% | 0.629 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -38.1 | 95.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | H155 T159 | H155-G157 VanDerWaalsContact C-N 3.27Å; H155-G157 PolarHBondContact O-N 3.34Å; G157-T159 PolarHBondContact O-N 3.06Å |
| 158 | R | 52.9 | Low | 58.8 | Low | 236 Ų | 236 | 106.9 Ų | 106.9 | 89% | 0.891 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 31.8 | 70 | 169.2 | -157.8 | -179.2 | 171.2 | -167.6 | -8 | 115.8 | T156 | T156-R158 PolarHBondContact O-N 3.02Š|
| 159 | T | 44.4 | Very low | 56.8 | Low | 126 Ų | 126 | 113.4 Ų | 113.4 | 77% | 0.773 | 61% | 0.613 | S | S | * | * | trans | -151.2 | 103 | 158.1 | 45.8 | 0 | 0 | 0 | 0 | 110.1 | G157 | G157-T159 PolarHBondContact O-N 3.06Š| ||
| 160 | G | 40.7 | Very low | 54.6 | Low | 50 Ų | 50 | 118 Ų | 118 | 52% | 0.515 | 64% | 0.637 | S | S | . | * | trans | 148.5 | 124.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 161 | P | 47.9 | Very low | 53.5 | Low | 117 Ų | 117 | 114.3 Ų | 114.3 | 76% | 0.76 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 161.9 | 170.6 | 32.6 | -30.6 | 0 | 0 | 0 | 111.4 | ||
| 162 | P | 45 | Very low | 51.3 | Low | 90 Ų | 90 | 119.2 Ų | 119.2 | 58% | 0.584 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 152.3 | 178.5 | 29.6 | -34.2 | 0 | 0 | 0 | 112.7 | Y149 A164 | Y149-P162 HydrophobicContact CE1-CB 4.3Å; Y149-P162 VanDerWaalsContact OH-CA 3.26Å; Y149-P162 WeakPolarHBondContact OH-CA 3.25Å; P162-A164 PolarHBondContact O-N 3.28Å |
| 163 | P | 39.4 | Very low | 49.7 | Very low | 118 Ų | 118 | 125 Ų | 125 | 77% | 0.766 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 124.3 | 171.7 | 27 | -31.8 | 0 | 0 | 0 | 109.5 | ||
| 164 | A | 40.6 | Very low | 48.2 | Very low | 91 Ų | 91 | 127.7 Ų | 127.7 | 75% | 0.752 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -75 | 125.9 | 179 | 0 | 0 | 0 | 0 | 0 | 110.6 | P162 | P162-A164 PolarHBondContact O-N 3.28Š|
| 165 | T | 38.8 | Very low | 47 | Very low | 143 Ų | 143 | 127.7 Ų | 127.7 | 88% | 0.877 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 126.5 | 146.5 | 46.6 | 0 | 0 | 0 | 0 | 106.9 | R167 | T165-R167 PolarHBondContact O-N 3.08Š|
| 166 | K | 48.7 | Very low | 45.9 | Very low | 201 Ų | 201 | 127.9 Ų | 127.9 | 87% | 0.874 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -50 | 124.6 | -173.5 | -63 | 171.9 | 177.8 | 177.7 | 0 | 111.6 | ||
| 167 | R | 42.1 | Very low | 45.6 | Very low | 236 Ų | 236 | 131.1 Ų | 131.1 | 89% | 0.891 | 74% | 0.738 | S | S | * | * | -175.2 | 133.6 | 120.5 | -100.1 | 171.2 | -179.2 | -178.9 | 0.6 | 111.5 | T165 | T165-R167 PolarHBondContact O-N 3.08Š| |||
| 168 | T | 39.4 | Very low | 46.3 | Very low | 134 Ų | 134 | 133.4 Ų | 133.4 | 82% | 0.822 | 73% | 0.728 | S | S | * | * | trans | 97.3 | 127.5 | 157.4 | -28.9 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 169 | L | 44.7 | Very low | 46.9 | Very low | 159 Ų | 159 | 124.8 Ų | 124.8 | 83% | 0.832 | 71% | 0.708 | S | S | * | * | trans | -37.5 | 139.8 | -171.6 | -82.2 | 63.8 | 0 | 0 | 0 | 118.1 | ||||
| 170 | E | 35.3 | Very low | 48.3 | Very low | 179 Ų | 179 | 119 Ų | 119 | 84% | 0.836 | 67% | 0.672 | S | S | * | * | trans | 45.7 | 141.6 | 145.4 | -80.1 | -74.1 | 108.4 | 0 | 0 | 122.6 | ||||
| 171 | P | 56.8 | Low | 49.3 | Very low | 102 Ų | 102 | 121.7 Ų | 121.7 | 66% | 0.662 | 68% | 0.681 | S | S | * | * | trans | -96.8 | 134.1 | -169.8 | 12.6 | 8.8 | 0 | 0 | 0 | 113.6 | ||||
| 172 | S | 36.8 | Very low | 49.8 | Very low | 123 Ų | 123 | 122.6 Ų | 122.6 | 86% | 0.86 | 68% | 0.675 | S | S | * | * | trans | -139.6 | 104.7 | 154.6 | -166.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 173 | H | 47.5 | Very low | 50.6 | Low | 173 Ų | 173 | 121.2 Ų | 121.2 | 80% | 0.801 | 67% | 0.667 | S | S | * | * | trans | -62.6 | 153.9 | 165.7 | -89.3 | -56.6 | 0 | 0 | 0 | 109.8 | ||||
| 174 | P | 49.5 | Very low | 51.7 | Low | 111 Ų | 111 | 118.3 Ų | 118.3 | 72% | 0.721 | 66% | 0.658 | S | S | * | * | S | Bend | cis | -141.6 | 154.2 | 44.7 | 36.4 | -16.2 | 0 | 0 | 0 | 115.7 | A176 | P174-A176 PolarHBondContact O-N 3.17Š|
| 175 | D | 50.5 | Low | 52.9 | Low | 95 Ų | 95 | 119.5 Ų | 119.5 | 51% | 0.508 | 65% | 0.649 | S | S | . | * | trans | 29.2 | 61.2 | 162.2 | -158.6 | 25.6 | 0 | 0 | 0 | 115.4 | R177 | D175-R177 VanDerWaalsContact C-N 3.26Å; D175-R177 PolarHBondContact O-N 3.5Å; D175-R177 IonicContact OD2-CZ 3.3Å; D175-R177 VanDerWaalsContact OD2-CZ 3.3Å; D175-R177 IonicContact OD2-NE 2.87Å; D175-R177 PolarHBondContact OD2-NE 3.37Å; D175-R177 IonicContact OD2-NH2 2.85Å; D175-R177 PolarHBondContact OD2-NH2 3.08Å | ||
| 176 | A | 50 | Low | 54.5 | Low | 80 Ų | 80 | 115.6 Ų | 115.6 | 66% | 0.661 | 63% | 0.628 | S | S | * | * | trans | -68.2 | 87.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | P174 Y178 | P174-A176 PolarHBondContact O-N 3.17Å; A176-Y178 PolarHBondContact O-N 3.31Å | ||
| 177 | R | 57 | Low | 55.9 | Low | 128 Ų | 128 | 107.6 Ų | 107.6 | 48% | 0.483 | 59% | 0.594 | S | S | . | * | trans | -78.5 | 120.4 | 172.2 | -57.3 | -176.2 | -172.3 | 170.9 | 7.9 | 107.7 | D175 A179 S186 F187 | D175-R177 VanDerWaalsContact C-N 3.26Å; D175-R177 PolarHBondContact O-N 3.5Å; D175-R177 IonicContact OD2-CZ 3.3Å; D175-R177 VanDerWaalsContact OD2-CZ 3.3Å; D175-R177 IonicContact OD2-NE 2.87Å; D175-R177 PolarHBondContact OD2-NE 3.37Å; D175-R177 IonicContact OD2-NH2 2.85Å; D175-R177 PolarHBondContact OD2-NH2 3.08Å; R177-A179 PolarHBondContact O-N 2.89Å; R177-S186 WeakPolarHBondContact CD-OG 3.33Å; R177-F187 CarbonylContact C-O 3.58Å; R177-F187 VanDerWaalsContact CA-O 3.29Å; R177-F187 WeakPolarHBondContact CA-O 3.34Å | ||
| 178 | Y | 64.1 | Low | 57.5 | Low | 109 Ų | 109 | 104.5 Ų | 104.5 | 43% | 0.427 | 59% | 0.586 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -68 | 100.1 | 175 | -66.3 | -89.6 | 0 | 0 | 0 | 108.5 | A176 F187 G189 L193 | A176-Y178 PolarHBondContact O-N 3.31Å; Y178-F187 PolarHBondContact N-O 3.42Å; Y178-F187 WeakPolarHBondContact O-CD2 3.25Å; Y178-F187 PolarHBondContact O-N 3.01Å; Y178-G189 VanDerWaalsContact CD2-C 3.45Å; Y178-G189 VanDerWaalsContact CD2-CA 3.45Å; Y178-L193 HydrophobicContact CD1-CD2 4.4Å; Y178-L193 HydrophobicContact CG-CD2 4.5Å |
| 179 | A | 65.4 | Low | 59.5 | Low | 56 Ų | 56 | 99.1 Ų | 99.1 | 46% | 0.463 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81.4 | 139.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | R177 M185 | R177-A179 PolarHBondContact O-N 2.89Å; A179-M185 CarbonylContact C-O 3.6Å; A179-M185 WeakPolarHBondContact CA-O 3.37Å |
| 180 | C | 74.7 | Confident | 60.8 | Low | 3 Ų | 3 | 95.1 Ų | 95.1 | 2% | 0.02 | 54% | 0.543 | C | S | . | . | trans | -76.8 | 124.8 | 172.3 | -177.8 | 0 | 0 | 0 | 0 | 110.7 | H182 C183 G184 M185 F187 L193 H196 H200 | C180-H182 PolarHBondContact O-N 3.03Å; C180-H182 PolarHBondContact SG-N 3.01Å; C180-H182 VanDerWaalsContact SG-N 3.42Å; C180-C183 PolarHBondContact O-N 3.44Å; C180-G184 VanDerWaalsContact O-CA 3.3Å; C180-G184 WeakPolarHBondContact O-CA 3.46Å; C180-G184 PolarHBondContact O-N 3.26Å; C180-M185 PolarHBondContact N-O 3.05Å; C180-F187 HydrophobicContact CB-CE2 4.4Å; C180-L193 HydrophobicContact CB-CD1 3.93Å; C180-H196 VanDerWaalsContact CB-CD2 3.45Å; C180-H196 WeakPolarHBondContact CB-CD2 3.44Å; C180-H196 VanDerWaalsContact CB-NE2 3.26Å; C180-H196 WeakPolarHBondContact CB-NE2 3.49Å; C180-H196 VanDerWaalsContact SG-CD2 3.53Å; C180-H196 PolarHBondContact SG-NE2 3.3Å; C180-H200 PolarHBondContact SG-CD2 3.41Å; C180-H200 PolarHBondContact SG-NE2 3.08Å | ||
| 181 | P | 61.7 | Low | 62.7 | Low | 108 Ų | 108 | 97.3 Ų | 97.3 | 70% | 0.701 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -19.9 | 177.5 | 25.7 | -34.6 | 0 | 0 | 0 | 113.5 | L197 | P181-L197 HydrophobicContact CG-CD2 4.39Š|
| 182 | H | 57.3 | Low | 63.4 | Low | 135 Ų | 135 | 97.4 Ų | 97.4 | 63% | 0.625 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | -23.8 | -177.7 | -62.9 | -62.6 | 0 | 0 | 0 | 114.7 | C180 H200 | C180-H182 PolarHBondContact O-N 3.03Å; C180-H182 PolarHBondContact SG-N 3.01Å; C180-H182 VanDerWaalsContact SG-N 3.42Å; H182-H200 AromaticContact CD2-CG 3.92Å |
| 183 | C | 62.8 | Low | 65.4 | Low | 62 Ų | 62 | 92.6 Ų | 92.6 | 42% | 0.419 | 50% | 0.501 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -141.8 | 5.3 | -177.9 | 69 | 0 | 0 | 0 | 0 | 115.1 | C180 M185 H196 H200 | C180-C183 PolarHBondContact O-N 3.44Å; C183-M185 PolarHBondContact O-N 3.13Å; C183-H196 PolarHBondContact SG-CE1 3.16Å; C183-H196 PolarHBondContact SG-NE2 3.35Å; C183-H200 PolarHBondContact SG-NE2 2.93Å; C183-H200 VanDerWaalsContact SG-NE2 3.45Å |
| 184 | G | 61.5 | Low | 66.5 | Low | 57 Ų | 57 | 85.8 Ų | 85.8 | 59% | 0.588 | 48% | 0.478 | S | S | * | . | trans | 67.9 | 3.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | C180 S186 | C180-G184 VanDerWaalsContact O-CA 3.3Å; C180-G184 WeakPolarHBondContact O-CA 3.46Å; C180-G184 PolarHBondContact O-N 3.26Å; G184-S186 PolarHBondContact O-N 3.39Å | ||
| 185 | M | 65.9 | Low | 67.6 | Low | 115 Ų | 115 | 82.4 Ų | 82.4 | 57% | 0.567 | 46% | 0.457 | S | S | * | . | trans | -68.4 | 128 | 178.6 | -78.3 | -167.7 | 162.4 | 0 | 0 | 111.3 | A179 C180 C183 F187 | A179-M185 CarbonylContact C-O 3.6Å; A179-M185 WeakPolarHBondContact CA-O 3.37Å; C180-M185 PolarHBondContact N-O 3.05Å; C183-M185 PolarHBondContact O-N 3.13Å; M185-F187 HydrophobicContact CB-CE2 3.6Å; M185-F187 HydrophobicContact CB-CZ 3.69Å; M185-F187 VanDerWaalsContact O-CD2 3.31Å; M185-F187 WeakPolarHBondContact O-CD2 3.32Å; M185-F187 VanDerWaalsContact O-CE2 3.23Å; M185-F187 WeakPolarHBondContact O-CE2 3.2Å; M185-F187 HydrophobicContact SD-CZ 4.34Å | ||
| 186 | S | 72.9 | Confident | 68.8 | Low | 61 Ų | 61 | 79 Ų | 79 | 43% | 0.427 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 123.2 | -175.7 | 74.7 | 0 | 0 | 0 | 0 | 111.7 | R177 G184 | R177-S186 WeakPolarHBondContact CD-OG 3.33Å; G184-S186 PolarHBondContact O-N 3.39Å |
| 187 | F | 77.6 | Confident | 69.7 | Low | 34 Ų | 34 | 78 Ų | 78 | 15% | 0.149 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 145.2 | -176.8 | -61.2 | -83.1 | 0 | 0 | 0 | 112.2 | R177 Y178 C180 M185 G189 M192 L193 H196 | R177-F187 CarbonylContact C-O 3.58Å; R177-F187 VanDerWaalsContact CA-O 3.29Å; R177-F187 WeakPolarHBondContact CA-O 3.34Å; Y178-F187 PolarHBondContact N-O 3.42Å; Y178-F187 WeakPolarHBondContact O-CD2 3.25Å; Y178-F187 PolarHBondContact O-N 3.01Å; C180-F187 HydrophobicContact CB-CE2 4.4Å; M185-F187 HydrophobicContact CB-CE2 3.6Å; M185-F187 HydrophobicContact CB-CZ 3.69Å; M185-F187 VanDerWaalsContact O-CD2 3.31Å; M185-F187 WeakPolarHBondContact O-CD2 3.32Å; M185-F187 VanDerWaalsContact O-CE2 3.23Å; M185-F187 WeakPolarHBondContact O-CE2 3.2Å; M185-F187 HydrophobicContact SD-CZ 4.34Å; F187-G189 PolarHBondContact O-N 3.2Å; F187-G189 VanDerWaalsContact O-N 3.09Å; F187-M192 HydrophobicContact CB-CB 4.05Å; F187-M192 HydrophobicContact CB-CE 4.31Å; F187-M192 HydrophobicContact CD1-CB 4.26Å; F187-M192 HydrophobicContact CD1-CE 3.87Å; F187-M192 HydrophobicContact CG-CB 4.41Å; F187-L193 HydrophobicContact CB-CB 4.45Å; F187-L193 HydrophobicContact CD2-CB 4.39Å; F187-L193 HydrophobicContact CD2-CD1 3.89Å; F187-L193 HydrophobicContact CE2-CD1 4.32Å; F187-H196 HydrophobicContact CD2-CB 4.43Å; F187-H196 HydrophobicContact CE1-CB 4.22Å; F187-H196 HydrophobicContact CE2-CB 3.81Å; F187-H196 AromaticContact CE2-CD2 3.35Å; F187-H196 WeakPolarHBondContact CE2-CD2 2.97Å; F187-H196 AromaticContact CE2-CE1 3.97Å; F187-H196 AromaticContact CE2-CG 3.36Å; F187-H196 AromaticContact CE2-ND1 3.78Å; F187-H196 AromaticContact CE2-NE2 3.74Å; F187-H196 HydrophobicContact CZ-CB 3.7Å; F187-H196 AromaticContact CZ-CD2 3.75Å; F187-H196 AromaticContact CZ-CE1 3.72Å; F187-H196 AromaticContact CZ-CG 3.29Å; F187-H196 AromaticContact CZ-ND1 3.3Å; F187-H196 VanDerWaalsContact CZ-ND1 3.3Å; F187-H196 WeakPolarHBondContact CZ-ND1 3.15Å; F187-H196 AromaticContact CZ-NE2 3.98Å |
| 188 | K | 76.6 | Confident | 70.1 | Confident | 171 Ų | 171 | 79.3 Ų | 79.3 | 74% | 0.743 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -75.4 | 9.3 | -177.4 | -66.3 | -174.1 | 177.2 | -176.2 | 0 | 115 | ||
| 189 | G | 79.9 | Confident | 69.9 | Low | 20 Ų | 20 | 79.1 Ų | 79.1 | 21% | 0.206 | 43% | 0.431 | C | S | . | . | S | Bend | trans | -177.5 | 149.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114 | Y178 F187 R191 M192 L193 | Y178-G189 VanDerWaalsContact CD2-C 3.45Å; Y178-G189 VanDerWaalsContact CD2-CA 3.45Å; F187-G189 PolarHBondContact O-N 3.2Å; F187-G189 VanDerWaalsContact O-N 3.09Å; G189-R191 VanDerWaalsContact C-N 3.31Å; G189-R191 PolarHBondContact O-N 3.32Å; G189-M192 WeakPolarHBondContact O-CB 3.23Å; G189-M192 PolarHBondContact O-N 3.35Å; G189-L193 PolarHBondContact O-N 3.41Å |
| 190 | S | 73.7 | Confident | 69.8 | Low | 76 Ų | 76 | 79.6 Ų | 79.6 | 53% | 0.531 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -56.8 | -37.2 | -178.5 | 176.6 | 0 | 0 | 0 | 0 | 113.2 | M192 L193 G194 | S190-M192 VanDerWaalsContact C-N 3.32Å; S190-M192 PolarHBondContact O-N 3Å; S190-L193 PolarHBondContact O-N 3.01Å; S190-G194 PolarHBondContact O-N 3.39Å |
| 191 | R | 74.4 | Confident | 69 | Low | 225 Ų | 225 | 81.7 Ų | 81.7 | 85% | 0.849 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -61.7 | -36.5 | 175.2 | -176.8 | 175.7 | 179.5 | 144.8 | 1.4 | 113.5 | G189 S195 | G189-R191 VanDerWaalsContact C-N 3.31Å; G189-R191 PolarHBondContact O-N 3.32Å; R191-S195 WeakPolarHBondContact O-CB 3.47Å; R191-S195 PolarHBondContact O-N 2.59Å; R191-S195 VanDerWaalsContact O-N 3.12Å; R191-S195 PolarHBondContact O-OG 3.43Å |
| 192 | M | 71.9 | Confident | 68.6 | Low | 103 Ų | 103 | 86.2 Ų | 86.2 | 51% | 0.507 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -74.1 | -42.1 | 176.8 | -74.3 | 174.8 | 46.5 | 0 | 0 | 110.6 | F187 G189 S190 S195 H196 | F187-M192 HydrophobicContact CB-CB 4.05Å; F187-M192 HydrophobicContact CB-CE 4.31Å; F187-M192 HydrophobicContact CD1-CB 4.26Å; F187-M192 HydrophobicContact CD1-CE 3.87Å; F187-M192 HydrophobicContact CG-CB 4.41Å; G189-M192 WeakPolarHBondContact O-CB 3.23Å; G189-M192 PolarHBondContact O-N 3.35Å; S190-M192 VanDerWaalsContact C-N 3.32Å; S190-M192 PolarHBondContact O-N 3Å; M192-S195 PolarHBondContact O-N 2.99Å; M192-H196 WeakPolarHBondContact O-CB 3.35Å; M192-H196 PolarHBondContact O-N 3.2Å |
| 193 | L | 77.5 | Confident | 68.2 | Low | 22 Ų | 22 | 90.1 Ų | 90.1 | 12% | 0.115 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -61 | -46.2 | 173.3 | 178.4 | 65.3 | 0 | 0 | 0 | 111.2 | Y178 C180 F187 G189 S190 S195 H196 L197 | Y178-L193 HydrophobicContact CD1-CD2 4.4Å; Y178-L193 HydrophobicContact CG-CD2 4.5Å; C180-L193 HydrophobicContact CB-CD1 3.93Å; F187-L193 HydrophobicContact CB-CB 4.45Å; F187-L193 HydrophobicContact CD2-CB 4.39Å; F187-L193 HydrophobicContact CD2-CD1 3.89Å; F187-L193 HydrophobicContact CE2-CD1 4.32Å; G189-L193 PolarHBondContact O-N 3.41Å; S190-L193 PolarHBondContact O-N 3.01Å; L193-S195 VanDerWaalsContact C-N 3.31Å; L193-S195 PolarHBondContact O-N 3.29Å; L193-H196 CarbonylContact O-C 3.6Å; L193-H196 WeakPolarHBondContact O-CA 3.28Å; L193-H196 WeakPolarHBondContact O-CB 3.35Å; L193-H196 PolarHBondContact O-N 2.74Å; L193-L197 HydrophobicContact CD1-CD1 4.21Å; L193-L197 HydrophobicContact CD1-CG 4.05Å; L193-L197 HydrophobicContact CD2-CD1 4.2Å; L193-L197 HydrophobicContact CG-CD1 3.82Å; L193-L197 HydrophobicContact CG-CG 4.13Å; L193-L197 WeakPolarHBondContact O-CB 3.49Å; L193-L197 WeakPolarHBondContact O-CG 3.47Å; L193-L197 PolarHBondContact O-N 3.37Å |
| 194 | G | 71.2 | Confident | 67.9 | Low | 31 Ų | 31 | 92.6 Ų | 92.6 | 32% | 0.32 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.7 | -35.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | S190 H196 R198 | S190-G194 PolarHBondContact O-N 3.39Å; G194-H196 VanDerWaalsContact C-N 3.33Å; G194-R198 WeakPolarHBondContact O-CG 3.46Å; G194-R198 PolarHBondContact O-N 2.93Å; G194-R198 PolarHBondContact O-NE 3.16Å |
| 195 | S | 72.4 | Confident | 67.8 | Low | 40 Ų | 40 | 95.7 Ų | 95.7 | 28% | 0.28 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -67.9 | -35.1 | 171.8 | -57.4 | 0 | 0 | 0 | 0 | 112.6 | R191 M192 L193 R198 | R191-S195 WeakPolarHBondContact O-CB 3.47Å; R191-S195 PolarHBondContact O-N 2.59Å; R191-S195 VanDerWaalsContact O-N 3.12Å; R191-S195 PolarHBondContact O-OG 3.43Å; M192-S195 PolarHBondContact O-N 2.99Å; L193-S195 VanDerWaalsContact C-N 3.31Å; L193-S195 PolarHBondContact O-N 3.29Å; S195-R198 PolarHBondContact OG-NH2 3.31Å |
| 196 | H | 75.1 | Confident | 67.8 | Low | 22 Ų | 22 | 93 Ų | 93 | 10% | 0.102 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -74.1 | -38.1 | 175.9 | 171.8 | 80.4 | 0 | 0 | 0 | 112.8 | C180 C183 F187 M192 L193 G194 R198 L199 H200 | C180-H196 VanDerWaalsContact CB-CD2 3.45Å; C180-H196 WeakPolarHBondContact CB-CD2 3.44Å; C180-H196 VanDerWaalsContact CB-NE2 3.26Å; C180-H196 WeakPolarHBondContact CB-NE2 3.49Å; C180-H196 VanDerWaalsContact SG-CD2 3.53Å; C180-H196 PolarHBondContact SG-NE2 3.3Å; C183-H196 PolarHBondContact SG-CE1 3.16Å; C183-H196 PolarHBondContact SG-NE2 3.35Å; F187-H196 HydrophobicContact CD2-CB 4.43Å; F187-H196 HydrophobicContact CE1-CB 4.22Å; F187-H196 HydrophobicContact CE2-CB 3.81Å; F187-H196 AromaticContact CE2-CD2 3.35Å; F187-H196 WeakPolarHBondContact CE2-CD2 2.97Å; F187-H196 AromaticContact CE2-CE1 3.97Å; F187-H196 AromaticContact CE2-CG 3.36Å; F187-H196 AromaticContact CE2-ND1 3.78Å; F187-H196 AromaticContact CE2-NE2 3.74Å; F187-H196 HydrophobicContact CZ-CB 3.7Å; F187-H196 AromaticContact CZ-CD2 3.75Å; F187-H196 AromaticContact CZ-CE1 3.72Å; F187-H196 AromaticContact CZ-CG 3.29Å; F187-H196 AromaticContact CZ-ND1 3.3Å; F187-H196 VanDerWaalsContact CZ-ND1 3.3Å; F187-H196 WeakPolarHBondContact CZ-ND1 3.15Å; F187-H196 AromaticContact CZ-NE2 3.98Å; M192-H196 WeakPolarHBondContact O-CB 3.35Å; M192-H196 PolarHBondContact O-N 3.2Å; L193-H196 CarbonylContact O-C 3.6Å; L193-H196 WeakPolarHBondContact O-CA 3.28Å; L193-H196 WeakPolarHBondContact O-CB 3.35Å; L193-H196 PolarHBondContact O-N 2.74Å; G194-H196 VanDerWaalsContact C-N 3.33Å; H196-R198 VanDerWaalsContact C-N 3.27Å; H196-R198 PolarHBondContact O-N 2.81Å; H196-L199 WeakPolarHBondContact O-CA 3.45Å; H196-L199 WeakPolarHBondContact O-CB 3.3Å; H196-L199 PolarHBondContact O-N 2.74Å; H196-H200 AromaticContact CD2-CD2 3.93Å; H196-H200 AromaticContact CD2-NE2 3.79Å; H196-H200 AromaticContact CE1-NE2 3.55Å; H196-H200 AromaticContact NE2-CD2 3.61Å; H196-H200 AromaticContact NE2-NE2 3.01Å; H196-H200 PolarHBondContact NE2-NE2 3.48Å |
| 197 | L | 69.2 | Low | 67.6 | Low | 61 Ų | 61 | 93.1 Ų | 93.1 | 32% | 0.319 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -64.4 | -31.9 | 175.5 | -75.1 | 171.5 | 0 | 0 | 0 | 112 | P181 L193 L199 H200 G201 | P181-L197 HydrophobicContact CG-CD2 4.39Å; L193-L197 HydrophobicContact CD1-CD1 4.21Å; L193-L197 HydrophobicContact CD1-CG 4.05Å; L193-L197 HydrophobicContact CD2-CD1 4.2Å; L193-L197 HydrophobicContact CG-CD1 3.82Å; L193-L197 HydrophobicContact CG-CG 4.13Å; L193-L197 WeakPolarHBondContact O-CB 3.49Å; L193-L197 WeakPolarHBondContact O-CG 3.47Å; L193-L197 PolarHBondContact O-N 3.37Å; L197-L199 PolarHBondContact O-N 3.35Å; L197-H200 WeakPolarHBondContact O-CB 3.31Å; L197-H200 PolarHBondContact O-N 2.89Å; L197-G201 PolarHBondContact O-N 3.29Å |
| 198 | R | 67.1 | Low | 67.9 | Low | 155 Ų | 155 | 91.6 Ų | 91.6 | 59% | 0.585 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -62.5 | -16.1 | 168.7 | -74.6 | -176.8 | -70.6 | -152.3 | -0.5 | 114.1 | G194 S195 H196 | G194-R198 WeakPolarHBondContact O-CG 3.46Å; G194-R198 PolarHBondContact O-N 2.93Å; G194-R198 PolarHBondContact O-NE 3.16Å; S195-R198 PolarHBondContact OG-NH2 3.31Å; H196-R198 VanDerWaalsContact C-N 3.27Å; H196-R198 PolarHBondContact O-N 2.81Å |
| 199 | L | 59 | Low | 67.8 | Low | 104 Ų | 104 | 90.4 Ų | 90.4 | 55% | 0.545 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -83.7 | -24 | 172.1 | -54.3 | 174 | 0 | 0 | 0 | 112.2 | H196 L197 N216 | H196-L199 WeakPolarHBondContact O-CA 3.45Å; H196-L199 WeakPolarHBondContact O-CB 3.3Å; H196-L199 PolarHBondContact O-N 2.74Å; L197-L199 PolarHBondContact O-N 3.35Å; L199-N216 WeakPolarHBondContact CD2-ND2 3.48Å |
| 200 | H | 63.8 | Low | 67.6 | Low | 67 Ų | 67 | 94.4 Ų | 94.4 | 31% | 0.31 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -82.3 | -36 | 174.4 | -69.7 | -67.6 | 0 | 0 | 0 | 111.8 | C180 H182 C183 H196 L197 K202 | C180-H200 PolarHBondContact SG-CD2 3.41Å; C180-H200 PolarHBondContact SG-NE2 3.08Å; H182-H200 AromaticContact CD2-CG 3.92Å; C183-H200 PolarHBondContact SG-NE2 2.93Å; C183-H200 VanDerWaalsContact SG-NE2 3.45Å; H196-H200 AromaticContact CD2-CD2 3.93Å; H196-H200 AromaticContact CD2-NE2 3.79Å; H196-H200 AromaticContact CE1-NE2 3.55Å; H196-H200 AromaticContact NE2-CD2 3.61Å; H196-H200 AromaticContact NE2-NE2 3.01Å; H196-H200 PolarHBondContact NE2-NE2 3.48Å; L197-H200 WeakPolarHBondContact O-CB 3.31Å; L197-H200 PolarHBondContact O-N 2.89Å; H200-K202 PolarHBondContact O-N 3.02Å |
| 201 | G | 56.4 | Low | 67.9 | Low | 46 Ų | 46 | 93.3 Ų | 93.3 | 47% | 0.474 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -68.9 | 96.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | L197 R203 | L197-G201 PolarHBondContact O-N 3.29Å; G201-R203 PolarHBondContact O-N 2.82Å |
| 202 | K | 54.7 | Low | 67.6 | Low | 204 Ų | 204 | 85.3 Ų | 85.3 | 89% | 0.887 | 44% | 0.441 | S | S | * | . | trans | -62.8 | 73.2 | 169.5 | -66.6 | 175.3 | -177.2 | 174.1 | 0 | 110.6 | H200 | H200-K202 PolarHBondContact O-N 3.02Š| ||
| 203 | R | 48.7 | Very low | 67.6 | Low | 216 Ų | 216 | 86.3 Ų | 86.3 | 82% | 0.815 | 44% | 0.443 | S | S | * | . | trans | -135.4 | 98.6 | 159.6 | -81.1 | -173.5 | 136.4 | -174.1 | -5.8 | 106.6 | G201 I205 | G201-R203 PolarHBondContact O-N 2.82Å; R203-I205 HydrophobicContact CB-CG1 4.31Å; R203-I205 WeakPolarHBondContact O-CG1 3.44Å; R203-I205 PolarHBondContact O-N 2.98Å | ||
| 204 | R | 55.7 | Low | 67.4 | Low | 114 Ų | 114 | 89.3 Ų | 89.3 | 43% | 0.43 | 46% | 0.456 | S | S | . | . | trans | -82.6 | 95.7 | 172.5 | -62.8 | 160.6 | 145.8 | -163.5 | -5.6 | 106.1 | H206 E214 | R204-H206 VanDerWaalsContact C-N 3.32Å; R204-H206 PolarHBondContact O-N 3.23Å; R204-E214 HydrophobicContact CB-CB 3.44Å; R204-E214 VanDerWaalsContact CB-CB 3.44Å; R204-E214 HydrophobicContact CB-CG 4.28Å; R204-E214 WeakPolarHBondContact CD-OE2 3.3Å; R204-E214 HydrophobicContact CG-CB 4.2Å; R204-E214 IonicContact CZ-OE2 3.66Å; R204-E214 IonicContact NE-OE2 3.73Å; R204-E214 IonicContact NH1-OE2 2.79Å; R204-E214 PolarHBondContact NH1-OE2 2.7Å | ||
| 205 | I | 59.9 | Low | 67.6 | Low | 122 Ų | 122 | 89.8 Ų | 89.8 | 63% | 0.626 | 45% | 0.449 | S | S | * | . | trans | -78.4 | -17.6 | -164.6 | -57.1 | 168.7 | 0 | 0 | 0 | 112.3 | R203 P207 | R203-I205 HydrophobicContact CB-CG1 4.31Å; R203-I205 WeakPolarHBondContact O-CG1 3.44Å; R203-I205 PolarHBondContact O-N 2.98Å; I205-P207 VanDerWaalsContact C-CD 3.5Å; I205-P207 WeakPolarHBondContact O-CD 3.46Å | ||
| 206 | H | 66.9 | Low | 67.2 | Low | 60 Ų | 60 | 91.5 Ų | 91.5 | 28% | 0.278 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 81.9 | -172.9 | -56.6 | -60.2 | 0 | 0 | 0 | 112.4 | R204 E214 F215 S218 L221 | R204-H206 VanDerWaalsContact C-N 3.32Å; R204-H206 PolarHBondContact O-N 3.23Å; H206-E214 CarbonylContact O-C 3.46Å; H206-E214 WeakPolarHBondContact O-CA 3.26Å; H206-F215 HydrophobicContact CB-CB 4.31Å; H206-F215 WeakPolarHBondContact CB-O 3.47Å; H206-F215 PolarHBondContact N-O 3.25Å; H206-F215 PolarHBondContact O-N 3.1Å; H206-S218 PolarHBondContact CD2-N 3.26Å; H206-S218 VanDerWaalsContact CD2-N 3.28Å; H206-S218 PolarHBondContact NE2-N 3.1Å; H206-L221 HydrophobicContact CB-CB 4.17Å; H206-L221 HydrophobicContact CB-CD1 3.97Å; H206-L221 VanDerWaalsContact O-CD1 3.29Å; H206-L221 WeakPolarHBondContact O-CD1 3.49Å |
| 207 | P | 68.7 | Low | 67 | Low | 63 Ų | 63 | 95.1 Ų | 95.1 | 41% | 0.409 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 139.6 | 171 | 30.4 | -33.8 | 0 | 0 | 0 | 111.1 | I205 K213 E214 L221 | I205-P207 VanDerWaalsContact C-CD 3.5Å; I205-P207 WeakPolarHBondContact O-CD 3.46Å; P207-K213 CarbonylContact C-O 3.56Å; P207-E214 HydrophobicContact CB-CG 4.31Å; P207-L221 VanDerWaalsContact C-CD1 3.44Å; P207-L221 WeakPolarHBondContact O-CD1 3.26Å |
| 208 | C | 82.2 | Confident | 67.1 | Low | 1 Ų | 1 | 95.7 Ų | 95.7 | 1% | 0.007 | 48% | 0.482 | C | S | . | . | trans | -83.4 | 114.9 | 169.8 | 179.5 | 0 | 0 | 0 | 0 | 109.8 | I210 C211 G212 K213 F215 L221 H224 H228 | C208-I210 PolarHBondContact O-N 3.39Å; C208-C211 PolarHBondContact O-N 3.04Å; C208-C211 VanDerWaalsContact O-N 3.14Å; C208-G212 WeakPolarHBondContact O-CA 3.44Å; C208-G212 PolarHBondContact O-N 3.49Å; C208-K213 WeakPolarHBondContact CB-O 3.28Å; C208-K213 PolarHBondContact N-O 3.05Å; C208-F215 HydrophobicContact CB-CE2 4.15Å; C208-L221 HydrophobicContact CB-CD1 4.2Å; C208-H224 VanDerWaalsContact SG-CD2 3.51Å; C208-H224 PolarHBondContact SG-NE2 2.94Å; C208-H228 PolarHBondContact SG-NE2 3.41Å | ||
| 209 | N | 74.9 | Confident | 67.5 | Low | 146 Ų | 146 | 91.6 Ų | 91.6 | 78% | 0.781 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -12.1 | 180 | -57.3 | -2.3 | 0 | 0 | 0 | 114.4 | ||
| 210 | I | 75.5 | Confident | 68.4 | Low | 105 Ų | 105 | 88.4 Ų | 88.4 | 54% | 0.538 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -25.9 | -179.2 | -56.2 | 170.7 | 0 | 0 | 0 | 112 | C208 H228 | C208-I210 PolarHBondContact O-N 3.39Å; I210-H228 HydrophobicContact CD1-CB 3.62Å; I210-H228 HydrophobicContact CG2-CB 4.09Å; I210-H228 WeakPolarHBondContact CG2-ND1 3.46Å |
| 211 | C | 80.8 | Confident | 69.2 | Low | 53 Ų | 53 | 86.5 Ų | 86.5 | 36% | 0.358 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -146.3 | 10.6 | -175.3 | 68.2 | 0 | 0 | 0 | 0 | 115 | C208 K213 H224 H228 | C208-C211 PolarHBondContact O-N 3.04Å; C208-C211 VanDerWaalsContact O-N 3.14Å; C211-K213 PolarHBondContact O-N 2.77Å; C211-K213 VanDerWaalsContact SG-CG 3.55Å; C211-H224 PolarHBondContact SG-NE2 2.75Å; C211-H228 VanDerWaalsContact SG-CE1 3.55Å; C211-H228 PolarHBondContact SG-NE2 3.25Å |
| 212 | G | 68.8 | Low | 70.1 | Confident | 56 Ų | 56 | 87.4 Ų | 87.4 | 58% | 0.577 | 45% | 0.454 | S | S | * | . | trans | 64.7 | 3.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | C208 E214 | C208-G212 WeakPolarHBondContact O-CA 3.44Å; C208-G212 PolarHBondContact O-N 3.49Å; G212-E214 PolarHBondContact O-N 2.85Å | ||
| 213 | K | 71.4 | Confident | 71.3 | Confident | 124 Ų | 124 | 85.9 Ų | 85.9 | 54% | 0.539 | 44% | 0.443 | S | S | . | . | trans | -69.4 | 123.1 | -179.9 | -72.1 | 178.3 | -171.6 | 176 | 0 | 110.1 | P207 C208 C211 F215 | P207-K213 CarbonylContact C-O 3.56Å; C208-K213 WeakPolarHBondContact CB-O 3.28Å; C208-K213 PolarHBondContact N-O 3.05Å; C211-K213 PolarHBondContact O-N 2.77Å; C211-K213 VanDerWaalsContact SG-CG 3.55Å; K213-F215 HydrophobicContact CB-CE2 3.77Å; K213-F215 HydrophobicContact CB-CZ 3.97Å; K213-F215 VanDerWaalsContact O-CD2 3.27Å; K213-F215 WeakPolarHBondContact O-CD2 3.4Å; K213-F215 WeakPolarHBondContact O-CE2 3.47Å | ||
| 214 | E | 72.3 | Confident | 72.9 | Confident | 85 Ų | 85 | 76.8 Ų | 76.8 | 40% | 0.397 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 136.2 | -177.5 | -47.1 | 172 | 118.8 | 0 | 0 | 111.1 | R204 H206 P207 G212 | R204-E214 HydrophobicContact CB-CB 3.44Å; R204-E214 VanDerWaalsContact CB-CB 3.44Å; R204-E214 HydrophobicContact CB-CG 4.28Å; R204-E214 WeakPolarHBondContact CD-OE2 3.3Å; R204-E214 HydrophobicContact CG-CB 4.2Å; R204-E214 IonicContact CZ-OE2 3.66Å; R204-E214 IonicContact NE-OE2 3.73Å; R204-E214 IonicContact NH1-OE2 2.79Å; R204-E214 PolarHBondContact NH1-OE2 2.7Å; H206-E214 CarbonylContact O-C 3.46Å; H206-E214 WeakPolarHBondContact O-CA 3.26Å; P207-E214 HydrophobicContact CB-CG 4.31Å; G212-E214 PolarHBondContact O-N 2.85Å |
| 215 | F | 76.5 | Confident | 73.9 | Confident | 41 Ų | 41 | 77.6 Ų | 77.6 | 18% | 0.18 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 145.7 | -177.3 | -62.2 | -89.9 | 0 | 0 | 0 | 110.8 | H206 C208 K213 H217 L221 H224 | H206-F215 HydrophobicContact CB-CB 4.31Å; H206-F215 WeakPolarHBondContact CB-O 3.47Å; H206-F215 PolarHBondContact N-O 3.25Å; H206-F215 PolarHBondContact O-N 3.1Å; C208-F215 HydrophobicContact CB-CE2 4.15Å; K213-F215 HydrophobicContact CB-CE2 3.77Å; K213-F215 HydrophobicContact CB-CZ 3.97Å; K213-F215 VanDerWaalsContact O-CD2 3.27Å; K213-F215 WeakPolarHBondContact O-CD2 3.4Å; K213-F215 WeakPolarHBondContact O-CE2 3.47Å; F215-H217 VanDerWaalsContact C-N 3.35Å; F215-L221 HydrophobicContact CB-CB 4.12Å; F215-L221 HydrophobicContact CD2-CB 3.88Å; F215-L221 HydrophobicContact CD2-CD1 4.03Å; F215-L221 HydrophobicContact CD2-CG 4.35Å; F215-L221 HydrophobicContact CG-CB 4.1Å; F215-H224 HydrophobicContact CE1-CB 3.85Å; F215-H224 HydrophobicContact CE2-CB 3.86Å; F215-H224 AromaticContact CE2-CD2 3.24Å; F215-H224 WeakPolarHBondContact CE2-CD2 3.28Å; F215-H224 AromaticContact CE2-CG 3.53Å; F215-H224 AromaticContact CE2-NE2 3.89Å; F215-H224 HydrophobicContact CZ-CB 3.39Å; F215-H224 AromaticContact CZ-CD2 3.33Å; F215-H224 WeakPolarHBondContact CZ-CD2 3.45Å; F215-H224 AromaticContact CZ-CG 3.11Å; F215-H224 AromaticContact CZ-ND1 3.59Å; F215-H224 AromaticContact CZ-NE2 3.88Å |
| 216 | N | 64.3 | Low | 74.9 | Confident | 77 Ų | 77 | 77 Ų | 77 | 41% | 0.412 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -79.4 | -20.2 | 178.2 | -65.8 | -2.7 | 0 | 0 | 0 | 112.4 | L199 | L199-N216 WeakPolarHBondContact CD2-ND2 3.48Š|
| 217 | H | 70.4 | Confident | 75.4 | Confident | 97 Ų | 97 | 78.6 Ų | 78.6 | 45% | 0.449 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -132.3 | 137.4 | -180 | -57.2 | 155.9 | 0 | 0 | 0 | 111.1 | F215 S219 S220 L221 | F215-H217 VanDerWaalsContact C-N 3.35Å; H217-S219 VanDerWaalsContact C-N 3.25Å; H217-S219 PolarHBondContact O-N 3.19Å; H217-S220 WeakPolarHBondContact O-CB 3.42Å; H217-S220 PolarHBondContact O-N 3.21Å; H217-L221 PolarHBondContact O-N 2.84Å |
| 218 | S | 70.6 | Confident | 75.7 | Confident | 74 Ų | 74 | 77.9 Ų | 77.9 | 52% | 0.517 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -56.2 | -36.3 | 176.7 | 59.6 | 0 | 0 | 0 | 0 | 113.3 | H206 S220 L221 S222 | H206-S218 PolarHBondContact CD2-N 3.26Å; H206-S218 VanDerWaalsContact CD2-N 3.28Å; H206-S218 PolarHBondContact NE2-N 3.1Å; S218-S220 PolarHBondContact O-N 3.5Å; S218-L221 PolarHBondContact O-N 3.07Å; S218-S222 PolarHBondContact O-N 3.11Å |
| 219 | S | 76.9 | Confident | 74.8 | Confident | 69 Ų | 69 | 86.8 Ų | 86.8 | 48% | 0.483 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.2 | -29.8 | 175.6 | 60.9 | 0 | 0 | 0 | 0 | 113.4 | H217 R223 | H217-S219 VanDerWaalsContact C-N 3.25Å; H217-S219 PolarHBondContact O-N 3.19Å; S219-R223 PolarHBondContact O-N 3.36Å |
| 220 | S | 76.5 | Confident | 74.2 | Confident | 37 Ų | 37 | 89.1 Ų | 89.1 | 26% | 0.259 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -79.4 | -38.6 | 177.7 | -57.6 | 0 | 0 | 0 | 0 | 111.3 | H217 S218 H224 | H217-S220 WeakPolarHBondContact O-CB 3.42Å; H217-S220 PolarHBondContact O-N 3.21Å; S218-S220 PolarHBondContact O-N 3.5Å; S220-H224 VanDerWaalsContact O-CB 3.29Å; S220-H224 WeakPolarHBondContact O-CB 3.45Å; S220-H224 PolarHBondContact O-N 3.13Å |
| 221 | L | 80.1 | Confident | 73.3 | Confident | 26 Ų | 26 | 86.4 Ų | 86.4 | 14% | 0.136 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -62.4 | -44.5 | 171 | 174.8 | 125.4 | 0 | 0 | 0 | 111.4 | H206 P207 C208 F215 H217 S218 R223 H224 R225 | H206-L221 HydrophobicContact CB-CB 4.17Å; H206-L221 HydrophobicContact CB-CD1 3.97Å; H206-L221 VanDerWaalsContact O-CD1 3.29Å; H206-L221 WeakPolarHBondContact O-CD1 3.49Å; P207-L221 VanDerWaalsContact C-CD1 3.44Å; P207-L221 WeakPolarHBondContact O-CD1 3.26Å; C208-L221 HydrophobicContact CB-CD1 4.2Å; F215-L221 HydrophobicContact CB-CB 4.12Å; F215-L221 HydrophobicContact CD2-CB 3.88Å; F215-L221 HydrophobicContact CD2-CD1 4.03Å; F215-L221 HydrophobicContact CD2-CG 4.35Å; F215-L221 HydrophobicContact CG-CB 4.1Å; H217-L221 PolarHBondContact O-N 2.84Å; S218-L221 PolarHBondContact O-N 3.07Å; L221-R223 PolarHBondContact O-N 2.88Å; L221-H224 CarbonylContact O-C 3.57Å; L221-H224 WeakPolarHBondContact O-CA 3.37Å; L221-H224 WeakPolarHBondContact O-CB 3.39Å; L221-H224 PolarHBondContact O-N 3.32Å; L221-H224 VanDerWaalsContact O-N 3.08Å; L221-R225 HydrophobicContact CG-CG 4.48Å; L221-R225 WeakPolarHBondContact O-CG 3.35Å; L221-R225 PolarHBondContact O-N 3.49Å |
| 222 | S | 77.1 | Confident | 71.6 | Confident | 66 Ų | 66 | 93.9 Ų | 93.9 | 46% | 0.462 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -58.7 | -48.6 | 178.3 | -175.9 | 0 | 0 | 0 | 0 | 111.5 | S218 H224 R225 L226 | S218-S222 PolarHBondContact O-N 3.11Å; S222-H224 VanDerWaalsContact C-N 3.26Å; S222-H224 PolarHBondContact O-N 2.8Å; S222-R225 PolarHBondContact O-N 3.43Å; S222-L226 WeakPolarHBondContact O-CD1 3.43Å; S222-L226 PolarHBondContact O-N 3.41Å |
| 223 | R | 79.2 | Confident | 70.2 | Confident | 171 Ų | 171 | 95.1 Ų | 95.1 | 65% | 0.645 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -60.3 | -36.9 | 174 | -169.7 | -177.1 | -58 | 116.3 | 4.4 | 112.6 | S219 L221 L226 | S219-R223 PolarHBondContact O-N 3.36Å; L221-R223 PolarHBondContact O-N 2.88Å; R223-L226 WeakPolarHBondContact O-CB 3.31Å; R223-L226 PolarHBondContact O-N 3.41Å |
| 224 | H | 82.4 | Confident | 68.5 | Low | 25 Ų | 25 | 92.8 Ų | 92.8 | 12% | 0.116 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -68.4 | -37.7 | 177.9 | 171.7 | 68 | 0 | 0 | 0 | 112.8 | C208 C211 F215 S220 L221 S222 L226 V227 H228 | C208-H224 VanDerWaalsContact SG-CD2 3.51Å; C208-H224 PolarHBondContact SG-NE2 2.94Å; C211-H224 PolarHBondContact SG-NE2 2.75Å; F215-H224 HydrophobicContact CE1-CB 3.85Å; F215-H224 HydrophobicContact CE2-CB 3.86Å; F215-H224 AromaticContact CE2-CD2 3.24Å; F215-H224 WeakPolarHBondContact CE2-CD2 3.28Å; F215-H224 AromaticContact CE2-CG 3.53Å; F215-H224 AromaticContact CE2-NE2 3.89Å; F215-H224 HydrophobicContact CZ-CB 3.39Å; F215-H224 AromaticContact CZ-CD2 3.33Å; F215-H224 WeakPolarHBondContact CZ-CD2 3.45Å; F215-H224 AromaticContact CZ-CG 3.11Å; F215-H224 AromaticContact CZ-ND1 3.59Å; F215-H224 AromaticContact CZ-NE2 3.88Å; S220-H224 VanDerWaalsContact O-CB 3.29Å; S220-H224 WeakPolarHBondContact O-CB 3.45Å; S220-H224 PolarHBondContact O-N 3.13Å; L221-H224 CarbonylContact O-C 3.57Å; L221-H224 WeakPolarHBondContact O-CA 3.37Å; L221-H224 WeakPolarHBondContact O-CB 3.39Å; L221-H224 PolarHBondContact O-N 3.32Å; L221-H224 VanDerWaalsContact O-N 3.08Å; S222-H224 VanDerWaalsContact C-N 3.26Å; S222-H224 PolarHBondContact O-N 2.8Å; H224-L226 PolarHBondContact O-N 3.02Å; H224-V227 VanDerWaalsContact O-CB 3.27Å; H224-V227 WeakPolarHBondContact O-CB 3.23Å; H224-V227 PolarHBondContact O-N 3.28Å; H224-H228 AromaticContact CD2-NE2 3.83Å; H224-H228 AromaticContact CE1-NE2 3.41Å; H224-H228 PolarHBondContact CE1-NE2 3.26Å; H224-H228 AromaticContact NE2-CD2 3.7Å; H224-H228 AromaticContact NE2-CE1 4Å; H224-H228 AromaticContact NE2-NE2 2.98Å; H224-H228 PolarHBondContact NE2-NE2 2.94Å |
| 225 | R | 77.3 | Confident | 66.8 | Low | 131 Ų | 131 | 93 Ų | 93 | 49% | 0.494 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.8 | -29.9 | 175.5 | -70.3 | 176.3 | 90.8 | 173.3 | 6.7 | 112.6 | L221 S222 V227 H228 K229 | L221-R225 HydrophobicContact CG-CG 4.48Å; L221-R225 WeakPolarHBondContact O-CG 3.35Å; L221-R225 PolarHBondContact O-N 3.49Å; S222-R225 PolarHBondContact O-N 3.43Å; R225-V227 PolarHBondContact O-N 2.99Å; R225-H228 PolarHBondContact O-N 3.22Å; R225-K229 PolarHBondContact O-N 3.2Å; R225-K229 VanDerWaalsContact O-N 3.13Å |
| 226 | L | 80.6 | Confident | 64.9 | Low | 109 Ų | 109 | 102.9 Ų | 102.9 | 57% | 0.571 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63.9 | -25.8 | 173.3 | -86.1 | 77.3 | 0 | 0 | 0 | 112.9 | S222 R223 H224 K229 K230 | S222-L226 WeakPolarHBondContact O-CD1 3.43Å; S222-L226 PolarHBondContact O-N 3.41Å; R223-L226 WeakPolarHBondContact O-CB 3.31Å; R223-L226 PolarHBondContact O-N 3.41Å; H224-L226 PolarHBondContact O-N 3.02Å; L226-K229 PolarHBondContact O-N 3.4Å; L226-K230 PolarHBondContact O-N 3.49Å |
| 227 | V | 76.3 | Confident | 63.3 | Low | 94 Ų | 94 | 107.7 Ų | 107.7 | 57% | 0.57 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -70.3 | -40.9 | 176.6 | -175.7 | 0 | 0 | 0 | 0 | 110.5 | H224 R225 K230 G231 | H224-V227 VanDerWaalsContact O-CB 3.27Å; H224-V227 WeakPolarHBondContact O-CB 3.23Å; H224-V227 PolarHBondContact O-N 3.28Å; R225-V227 PolarHBondContact O-N 2.99Å; V227-K230 PolarHBondContact O-N 3.32Å; V227-G231 PolarHBondContact O-N 3.49Å |
| 228 | H | 75.3 | Confident | 61.5 | Low | 48 Ų | 48 | 107.3 Ų | 107.3 | 22% | 0.222 | 59% | 0.591 | C | S | . | * | H | α-helix | trans | -64.5 | -39.5 | 173.7 | -66.3 | -58.3 | 0 | 0 | 0 | 112.3 | C208 I210 C211 H224 R225 K230 G231 | C208-H228 PolarHBondContact SG-NE2 3.41Å; I210-H228 HydrophobicContact CD1-CB 3.62Å; I210-H228 HydrophobicContact CG2-CB 4.09Å; I210-H228 WeakPolarHBondContact CG2-ND1 3.46Å; C211-H228 VanDerWaalsContact SG-CE1 3.55Å; C211-H228 PolarHBondContact SG-NE2 3.25Å; H224-H228 AromaticContact CD2-NE2 3.83Å; H224-H228 AromaticContact CE1-NE2 3.41Å; H224-H228 PolarHBondContact CE1-NE2 3.26Å; H224-H228 AromaticContact NE2-CD2 3.7Å; H224-H228 AromaticContact NE2-CE1 4Å; H224-H228 AromaticContact NE2-NE2 2.98Å; H224-H228 PolarHBondContact NE2-NE2 2.94Å; R225-H228 PolarHBondContact O-N 3.22Å; H228-K230 PolarHBondContact O-N 3.49Å; H228-G231 CarbonylContact O-C 3.57Å; H228-G231 PolarHBondContact O-N 3.38Å; H228-G231 VanDerWaalsContact O-O 3.12Å |
| 229 | K | 64.8 | Low | 59.6 | Low | 189 Ų | 189 | 112.1 Ų | 112.1 | 82% | 0.822 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -65.4 | -25.4 | 177.2 | -166.5 | 173.5 | -179.3 | 178.2 | 0 | 112.9 | R225 L226 | R225-K229 PolarHBondContact O-N 3.2Å; R225-K229 VanDerWaalsContact O-N 3.13Å; L226-K229 PolarHBondContact O-N 3.4Å |
| 230 | K | 62.1 | Low | 58.3 | Low | 195 Ų | 195 | 113.6 Ų | 113.6 | 85% | 0.848 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -96.5 | -14.2 | -179.3 | -164.3 | 172.4 | 178.7 | -180 | 0 | 113.7 | L226 V227 H228 | L226-K230 PolarHBondContact O-N 3.49Å; V227-K230 PolarHBondContact O-N 3.32Å; H228-K230 PolarHBondContact O-N 3.49Å |
| 231 | G | 56.7 | Low | 56.1 | Low | 48 Ų | 48 | 116.6 Ų | 116.6 | 50% | 0.495 | 64% | 0.64 | S | S | . | * | S | Bend | trans | -117.7 | 90.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | V227 H228 | V227-G231 PolarHBondContact O-N 3.49Å; H228-G231 CarbonylContact O-C 3.57Å; H228-G231 PolarHBondContact O-N 3.38Å; H228-G231 VanDerWaalsContact O-O 3.12Å |
| 232 | K | 43.5 | Very low | 53.6 | Low | 209 Ų | 209 | 120 Ų | 120 | 91% | 0.909 | 67% | 0.673 | S | S | * | * | trans | -67.8 | 132.4 | 168.3 | -75.5 | -174.8 | 173.4 | -175.7 | 0 | 109.5 | ||||
| 233 | G | 40.8 | Very low | 51.4 | Low | 82 Ų | 82 | 121.3 Ų | 121.3 | 85% | 0.845 | 69% | 0.687 | S | S | * | * | trans | 94.9 | 118.9 | 165.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 234 | G | 34.6 | Very low | 49.3 | Very low | 75 Ų | 75 | 121.8 Ų | 121.8 | 77% | 0.773 | 70% | 0.702 | S | S | * | * | cis | -162.9 | 155.5 | 5.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 235 | A | 37.4 | Very low | 46.9 | Very low | 89 Ų | 89 | 130.9 Ų | 130.9 | 74% | 0.736 | 74% | 0.735 | S | S | * | * | trans | -55.6 | 137.9 | 163.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 236 | R | 35.8 | Very low | 44.9 | Very low | 250 Ų | 250 | 132.5 Ų | 132.5 | 94% | 0.943 | 75% | 0.748 | S | S | * | * | trans | -123.8 | 109 | 144.1 | -83.2 | -166.3 | 160.2 | -170.5 | -5.8 | 106.9 | ||||
| 237 | E | 30.4 | Very low | 42.6 | Very low | 177 Ų | 177 | 137 Ų | 137 | 83% | 0.827 | 76% | 0.763 | S | S | * | * | trans | -34.9 | 135.3 | 164.6 | -60.1 | -71.7 | 119.4 | 0 | 0 | 111.5 | ||||
| 238 | A | 33.8 | Very low | 40.4 | Very low | 90 Ų | 90 | 137.4 Ų | 137.4 | 74% | 0.744 | 78% | 0.775 | S | S | * | * | trans | -99.2 | 120.6 | 165.4 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 239 | E | 30.3 | Very low | 38.3 | Very low | 175 Ų | 175 | 142 Ų | 142 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | 157.5 | 174.8 | 103.1 | -90.7 | -84.3 | 105 | 0 | 0 | 107.6 | |||||
| 240 | P | 50.3 | Low | 36.9 | Very low | 99 Ų | 99 | 137 Ų | 137 | 64% | 0.643 | 80% | 0.801 | S | S | * | * | cis | -132.1 | 171.9 | -28.6 | 26.7 | -5.8 | 0 | 0 | 0 | 115 | ||||
| 241 | A | 29.9 | Very low | 35.6 | Very low | 100 Ų | 100 | 139.3 Ų | 139.3 | 83% | 0.826 | 80% | 0.804 | S | S | * | * | trans | 53.9 | 115.5 | 148.7 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 242 | A | 27.4 | Very low | 34.4 | Very low | 99 Ų | 99 | 143.6 Ų | 143.6 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | -178.6 | 137 | 122.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 243 | A | 30.4 | Very low | 34 | Very low | 92 Ų | 92 | 143.9 Ų | 143.9 | 76% | 0.76 | 82% | 0.817 | S | S | * | * | trans | 13.4 | 131.8 | 154.1 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 244 | L | 35.8 | Very low | 33.8 | Very low | 182 Ų | 182 | 148.9 Ų | 148.9 | 95% | 0.953 | 82% | 0.815 | S | S | * | * | -159.3 | 139.8 | 117.9 | -100.1 | 170.9 | 0 | 0 | 0 | 111.8 | |||||
| 245 | R | 31.5 | Very low | 34.1 | Very low | 216 Ų | 216 | 150.3 Ų | 150.3 | 82% | 0.815 | 81% | 0.811 | S | S | * | * | trans | -91 | 147.3 | -167.2 | -81.8 | 171.6 | 149 | -134.4 | -2.1 | 112.2 | ||||
| 246 | H | 35.7 | Very low | 34 | Very low | 165 Ų | 165 | 158.1 Ų | 158.1 | 76% | 0.764 | 82% | 0.821 | S | S | * | * | trans | 31.6 | 128.6 | 146.4 | -59.8 | -85 | 0 | 0 | 0 | 121.1 | ||||
| 247 | K | 31.9 | Very low | 33.6 | Very low | 204 Ų | 204 | 156 Ų | 156 | 89% | 0.887 | 82% | 0.819 | S | S | * | * | -165.2 | 117.2 | 106.2 | -101.3 | 171.9 | -171.8 | 179.8 | 0 | 111.2 | |||||
| 248 | A | 30.2 | Very low | 33.6 | Very low | 101 Ų | 101 | 151.8 Ų | 151.8 | 84% | 0.835 | 81% | 0.814 | S | S | * | * | trans | -94.4 | 136.4 | 160 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 249 | V | 31.8 | Very low | 33.4 | Very low | 145 Ų | 145 | 153.4 Ų | 153.4 | 88% | 0.879 | 82% | 0.821 | S | S | * | * | trans | -112.3 | 126.6 | 164.3 | 174.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 250 | A | 33.8 | Very low | 33.3 | Very low | 84 Ų | 84 | 149 Ų | 149 | 69% | 0.694 | 82% | 0.821 | S | S | * | * | trans | -78.6 | 159.6 | -175 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 251 | R | 36.5 | Very low | 32.2 | Very low | 244 Ų | 244 | 147.9 Ų | 147.9 | 92% | 0.921 | 83% | 0.828 | S | S | * | * | trans | -179.6 | 98.3 | 130.6 | -99.3 | 165.4 | 159.5 | -152.9 | -8.1 | 109 | ||||
| 252 | N | 29.9 | Very low | 32 | Very low | 138 Ų | 138 | 147.9 Ų | 147.9 | 74% | 0.738 | 83% | 0.828 | S | S | * | * | 78.2 | 102.9 | 76 | -154.9 | 27.2 | 0 | 0 | 0 | 113.8 | |||||
| 253 | K | 36.5 | Very low | 32.5 | Very low | 214 Ų | 214 | 149.5 Ų | 149.5 | 93% | 0.93 | 83% | 0.828 | S | S | * | * | trans | -150.8 | 130 | 139.4 | -113.5 | 178.5 | -177.9 | 179.4 | 0 | 109.9 | ||||
| 254 | K | 34.8 | Very low | 33.1 | Very low | 187 Ų | 187 | 151 Ų | 151 | 81% | 0.813 | 83% | 0.829 | S | S | * | * | trans | -99.6 | -177.3 | -163.4 | -123.5 | -172.9 | -173.9 | 178.6 | 0 | 110.5 | ||||
| 255 | P | 42.9 | Very low | 32.6 | Very low | 105 Ų | 105 | 145.7 Ų | 145.7 | 68% | 0.682 | 82% | 0.819 | S | S | * | * | -125.1 | -178 | -121.1 | 38.3 | -18.8 | 0 | 0 | 0 | 114.7 | |||||
| 256 | R | 33.5 | Very low | 33 | Very low | 253 Ų | 253 | 141.5 Ų | 141.5 | 96% | 0.955 | 82% | 0.82 | S | S | * | * | trans | -130.2 | 133.7 | 149.9 | -68.7 | -172.8 | 85.8 | -170.7 | 4.6 | 110.3 | ||||
| 257 | K | 29.1 | Very low | 32.7 | Very low | 205 Ų | 205 | 138.3 Ų | 138.3 | 89% | 0.891 | 82% | 0.822 | S | S | * | * | trans | -76.7 | 144.4 | -174.1 | -82.1 | 173.2 | 165.3 | 179.1 | 0 | 113.1 | ||||
| 258 | A | 28.7 | Very low | 33 | Very low | 89 Ų | 89 | 133.4 Ų | 133.4 | 74% | 0.736 | 82% | 0.819 | S | S | * | * | trans | -170.7 | 89.2 | 130.4 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 259 | S | 30.1 | Very low | 33.3 | Very low | 125 Ų | 125 | 132.6 Ų | 132.6 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | 57.1 | 106.6 | 96.3 | 66.6 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 260 | G | 28.3 | Very low | 33.9 | Very low | 81 Ų | 81 | 131.1 Ų | 131.1 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | trans | 160.6 | 109.4 | 165.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 261 | G | 27.2 | Very low | 34.7 | Very low | 76 Ų | 76 | 131.4 Ų | 131.4 | 78% | 0.784 | 80% | 0.796 | S | S | * | * | trans | -61.9 | 151 | -163.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 262 | A | 26.2 | Very low | 35.5 | Very low | 100 Ų | 100 | 128.4 Ų | 128.4 | 83% | 0.826 | 79% | 0.785 | S | S | * | * | 84 | 122.5 | 71 | 0 | 0 | 0 | 0 | 0 | 111 | |||||
| 263 | V | 38.3 | Very low | 37.5 | Very low | 134 Ų | 134 | 127 Ų | 127 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | cis | -154.9 | -165.6 | 12.6 | -153.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 264 | P | 41.8 | Very low | 39.4 | Very low | 122 Ų | 122 | 121.6 Ų | 121.6 | 79% | 0.792 | 75% | 0.747 | S | S | * | * | -127.8 | 172.1 | -112 | 43.8 | -24.1 | 0 | 0 | 0 | 117.8 | |||||
| 265 | G | 26.1 | Very low | 41.4 | Very low | 71 Ų | 71 | 115.8 Ų | 115.8 | 73% | 0.732 | 73% | 0.734 | S | S | * | * | trans | 128.9 | 155.3 | 148.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 266 | P | 39.9 | Very low | 43.1 | Very low | 128 Ų | 128 | 111.3 Ų | 111.3 | 83% | 0.831 | 70% | 0.704 | S | S | * | * | cis | -121.3 | 154.9 | -30.8 | 36.4 | -21.7 | 0 | 0 | 0 | 113.4 | ||||
| 267 | A | 30.1 | Very low | 45 | Very low | 98 Ų | 98 | 104.4 Ų | 104.4 | 81% | 0.81 | 69% | 0.692 | S | S | * | * | trans | 40.2 | 109.4 | 141.8 | 0 | 0 | 0 | 0 | 0 | 119.4 | A269 | A267-A269 PolarHBondContact O-N 2.73Š| ||
| 268 | A | 36.4 | Very low | 46.7 | Very low | 101 Ų | 101 | 100 Ų | 100 | 84% | 0.835 | 68% | 0.675 | S | S | * | * | trans | -42.5 | 130.7 | 156.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 269 | A | 36.8 | Very low | 49.2 | Very low | 85 Ų | 85 | 97.5 Ų | 97.5 | 70% | 0.702 | 65% | 0.652 | S | S | * | * | trans | -54.2 | 141.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | A267 D271 | A267-A269 PolarHBondContact O-N 2.73Å; A269-D271 PolarHBondContact O-N 2.91Å; A269-D271 VanDerWaalsContact O-N 3.08Å | ||
| 270 | P | 44.6 | Very low | 51.2 | Low | 113 Ų | 113 | 99.7 Ų | 99.7 | 73% | 0.734 | 65% | 0.653 | S | S | * | * | trans | -62.4 | 116.8 | 163.3 | 27.7 | -31.2 | 0 | 0 | 0 | 106.4 | R272 | P270-R272 PolarHBondContact O-N 3.25Š| ||
| 271 | D | 50.3 | Low | 53.4 | Low | 91 Ų | 91 | 100.3 Ų | 100.3 | 49% | 0.487 | 64% | 0.637 | S | S | . | * | trans | -53.1 | 106.4 | 175.2 | -130.7 | -1.7 | 0 | 0 | 0 | 106.4 | A269 F273 R284 | A269-D271 PolarHBondContact O-N 2.91Å; A269-D271 VanDerWaalsContact O-N 3.08Å; D271-F273 HydrophobicContact CB-CD2 4.25Å; D271-F273 HydrophobicContact CB-CE2 3.57Å; D271-F273 HydrophobicContact CB-CZ 3.7Å; D271-F273 WeakPolarHBondContact O-CD2 3.33Å; D271-F273 WeakPolarHBondContact O-CE2 3.39Å; D271-F273 PolarHBondContact O-N 3.45Å; D271-R284 IonicContact OD2-NE 3.81Å | ||
| 272 | R | 54.7 | Low | 55.8 | Low | 181 Ų | 181 | 100 Ų | 100 | 68% | 0.683 | 62% | 0.623 | S | S | * | * | trans | -72.4 | 96.6 | -177.1 | -84.4 | -176.9 | 161.8 | 129.8 | -0.2 | 107.4 | P270 | P270-R272 PolarHBondContact O-N 3.25Š| ||
| 273 | F | 70.6 | Confident | 58.2 | Low | 107 Ų | 107 | 97 Ų | 97 | 47% | 0.469 | 59% | 0.592 | S | S | . | * | trans | -79.9 | 128 | 175.5 | -62.4 | -83.1 | 0 | 0 | 0 | 110.8 | D271 F283 R284 | D271-F273 HydrophobicContact CB-CD2 4.25Å; D271-F273 HydrophobicContact CB-CE2 3.57Å; D271-F273 HydrophobicContact CB-CZ 3.7Å; D271-F273 WeakPolarHBondContact O-CD2 3.33Å; D271-F273 WeakPolarHBondContact O-CE2 3.39Å; D271-F273 PolarHBondContact O-N 3.45Å; F273-F283 CarbonylContact C-O 3.47Å; F273-F283 VanDerWaalsContact CA-O 3.31Å; F273-F283 WeakPolarHBondContact CA-O 3.02Å; F273-R284 HydrophobicContact CD1-CG 3.87Å; F273-R284 HydrophobicContact CE1-CG 3.46Å; F273-R284 VanDerWaalsContact CE1-CG 3.46Å; F273-R284 HydrophobicContact CZ-CG 4.43Å | ||
| 274 | Y | 76.8 | Confident | 59.9 | Low | 102 Ų | 102 | 98.4 Ų | 98.4 | 40% | 0.4 | 58% | 0.582 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -85.5 | 101.2 | 172 | -68 | -92.5 | 0 | 0 | 0 | 108.6 | S282 F283 S286 | Y274-S282 WeakPolarHBondContact O-CA 3.36Å; Y274-F283 PolarHBondContact N-O 2.94Å; Y274-F283 WeakPolarHBondContact O-CD2 3.14Å; Y274-F283 PolarHBondContact O-N 2.83Å; Y274-S286 VanDerWaalsContact CD2-N 3.28Å |
| 275 | A | 77.6 | Confident | 61.6 | Low | 65 Ų | 65 | 95 Ų | 95 | 54% | 0.537 | 56% | 0.56 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -78.5 | 141.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 276 | C | 78.4 | Confident | 63.9 | Low | 10 Ų | 10 | 94.3 Ų | 94.3 | 7% | 0.068 | 54% | 0.543 | C | S | . | . | trans | -76.8 | 136.1 | 171.3 | -171.4 | 0 | 0 | 0 | 0 | 110.2 | Q278 C279 L281 F283 L289 H292 | C276-Q278 VanDerWaalsContact C-N 3.29Å; C276-Q278 PolarHBondContact SG-N 2.82Å; C276-C279 CarbonylContact C-O 3.55Å; C276-C279 WeakPolarHBondContact CB-O 3.39Å; C276-L281 PolarHBondContact N-O 3.5Å; C276-F283 HydrophobicContact CB-CE2 4.39Å; C276-L289 VanDerWaalsContact CA-CD1 3.49Å; C276-L289 HydrophobicContact CB-CD1 3.69Å; C276-H292 WeakPolarHBondContact CB-NE2 3.3Å; C276-H292 PolarHBondContact SG-CD2 3.4Å; C276-H292 PolarHBondContact SG-NE2 3.11Å | ||
| 277 | P | 72.3 | Confident | 65.7 | Low | 108 Ų | 108 | 92.2 Ų | 92.2 | 70% | 0.701 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -80.9 | -8.9 | 175.5 | 29.7 | -32.9 | 0 | 0 | 0 | 113.5 | ||
| 278 | Q | 66.3 | Low | 67.7 | Low | 114 Ų | 114 | 91.6 Ų | 91.6 | 53% | 0.533 | 51% | 0.508 | S | S | . | . | S | Bend | trans | -105.7 | -5.8 | -179.1 | -68.6 | -175.5 | -31.8 | 0 | 0 | 113.1 | C276 | C276-Q278 VanDerWaalsContact C-N 3.29Å; C276-Q278 PolarHBondContact SG-N 2.82Å |
| 279 | C | 79.4 | Confident | 69.9 | Low | 35 Ų | 35 | 87.7 Ų | 87.7 | 24% | 0.236 | 47% | 0.473 | C | S | . | . | S | Bend | trans | -164.1 | 168.3 | 171 | 70.1 | 0 | 0 | 0 | 0 | 110.1 | C276 L281 H292 H296 | C276-C279 CarbonylContact C-O 3.55Å; C276-C279 WeakPolarHBondContact CB-O 3.39Å; C279-L281 PolarHBondContact O-N 3.07Å; C279-H292 PolarHBondContact SG-CE1 2.81Å; C279-H292 PolarHBondContact SG-NE2 3.3Å; C279-H296 PolarHBondContact SG-NE2 3.11Å |
| 280 | D | 73.3 | Confident | 71.7 | Confident | 171 Ų | 171 | 86.6 Ų | 86.6 | 91% | 0.914 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -77.9 | 13.9 | -173.1 | -54.7 | -40.8 | 0 | 0 | 0 | 115 | ||
| 281 | L | 74.6 | Confident | 73.3 | Confident | 95 Ų | 95 | 88.8 Ų | 88.8 | 50% | 0.497 | 46% | 0.459 | S | S | . | . | trans | -79.2 | 129.8 | 179.9 | -65.6 | 178.9 | 0 | 0 | 0 | 111.8 | C276 C279 F283 | C276-L281 PolarHBondContact N-O 3.5Å; C279-L281 PolarHBondContact O-N 3.07Å; L281-F283 HydrophobicContact CB-CE2 3.72Å; L281-F283 HydrophobicContact CB-CZ 3.71Å; L281-F283 HydrophobicContact CD1-CZ 4.29Å; L281-F283 WeakPolarHBondContact O-CE2 3.3Å | ||
| 282 | S | 76.8 | Confident | 74.6 | Confident | 70 Ų | 70 | 85.7 Ų | 85.7 | 49% | 0.49 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 139.6 | 177.4 | 75 | 0 | 0 | 0 | 0 | 111.7 | Y274 | Y274-S282 WeakPolarHBondContact O-CA 3.36Å |
| 283 | F | 77.9 | Confident | 75.7 | Confident | 36 Ų | 36 | 80.4 Ų | 80.4 | 16% | 0.158 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 142.9 | -168 | -62.8 | -82.7 | 0 | 0 | 0 | 111.4 | F273 Y274 C276 L281 T285 Q288 L289 H292 | F273-F283 CarbonylContact C-O 3.47Å; F273-F283 VanDerWaalsContact CA-O 3.31Å; F273-F283 WeakPolarHBondContact CA-O 3.02Å; Y274-F283 PolarHBondContact N-O 2.94Å; Y274-F283 WeakPolarHBondContact O-CD2 3.14Å; Y274-F283 PolarHBondContact O-N 2.83Å; C276-F283 HydrophobicContact CB-CE2 4.39Å; L281-F283 HydrophobicContact CB-CE2 3.72Å; L281-F283 HydrophobicContact CB-CZ 3.71Å; L281-F283 HydrophobicContact CD1-CZ 4.29Å; L281-F283 WeakPolarHBondContact O-CE2 3.3Å; F283-T285 PolarHBondContact O-N 3.13Å; F283-Q288 HydrophobicContact CB-CB 3.81Å; F283-Q288 HydrophobicContact CD1-CB 3.82Å; F283-Q288 HydrophobicContact CG-CB 4.08Å; F283-L289 HydrophobicContact CB-CB 4.26Å; F283-L289 HydrophobicContact CD2-CB 3.97Å; F283-L289 HydrophobicContact CD2-CD1 3.84Å; F283-L289 HydrophobicContact CE2-CD1 4.13Å; F283-L289 HydrophobicContact CG-CB 4.34Å; F283-H292 HydrophobicContact CD2-CB 4.49Å; F283-H292 HydrophobicContact CE1-CB 3.9Å; F283-H292 HydrophobicContact CE2-CB 3.67Å; F283-H292 AromaticContact CE2-CD2 3.26Å; F283-H292 WeakPolarHBondContact CE2-CD2 3.19Å; F283-H292 AromaticContact CE2-CG 3.43Å; F283-H292 VanDerWaalsContact CE2-CG 3.43Å; F283-H292 HydrophobicContact CZ-CB 3.32Å; F283-H292 AromaticContact CZ-CD2 3.49Å; F283-H292 VanDerWaalsContact CZ-CD2 3.49Å; F283-H292 WeakPolarHBondContact CZ-CD2 3.46Å; F283-H292 AromaticContact CZ-CG 3.15Å; F283-H292 AromaticContact CZ-ND1 3.68Å |
| 284 | R | 73.3 | Confident | 76.2 | Confident | 163 Ų | 163 | 79 Ų | 79 | 62% | 0.615 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -71.7 | -14.9 | -177.6 | -66.8 | -178.4 | -177.4 | 174.4 | 0.6 | 113.9 | D271 F273 | D271-R284 IonicContact OD2-NE 3.81Å; F273-R284 HydrophobicContact CD1-CG 3.87Å; F273-R284 HydrophobicContact CE1-CG 3.46Å; F273-R284 VanDerWaalsContact CE1-CG 3.46Å; F273-R284 HydrophobicContact CZ-CG 4.43Å |
| 285 | T | 78.1 | Confident | 76.2 | Confident | 52 Ų | 52 | 76.1 Ų | 76.1 | 32% | 0.319 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -142.3 | 148.8 | -177.8 | 57.1 | 0 | 0 | 0 | 0 | 111.6 | F283 T287 Q288 L289 | F283-T285 PolarHBondContact O-N 3.13Å; T285-T287 PolarHBondContact O-N 2.98Å; T285-T287 PolarHBondContact OG1-OG1 3.37Å; T285-Q288 WeakPolarHBondContact O-CB 2.89Å; T285-Q288 PolarHBondContact O-N 3.49Å; T285-Q288 VanDerWaalsContact O-N 3.1Å; T285-Q288 WeakPolarHBondContact OG1-CG 3.36Å; T285-Q288 PolarHBondContact OG1-NE2 3.33Å; T285-L289 PolarHBondContact O-N 3.31Å |
| 286 | S | 72.9 | Confident | 76.2 | Confident | 55 Ų | 55 | 74.3 Ų | 74.3 | 39% | 0.385 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60.3 | -32.9 | 179.1 | 65.1 | 0 | 0 | 0 | 0 | 112.6 | Y274 Q288 L289 S290 | Y274-S286 VanDerWaalsContact CD2-N 3.28Å; S286-Q288 VanDerWaalsContact C-N 3.34Å; S286-Q288 PolarHBondContact O-N 3.36Å; S286-L289 PolarHBondContact O-N 2.63Å; S286-S290 PolarHBondContact O-N 2.69Å; S286-S290 PolarHBondContact O-OG 3.02Å; S286-S290 VanDerWaalsContact O-OG 3.07Å |
| 287 | T | 78.2 | Confident | 76.1 | Confident | 84 Ų | 84 | 76.2 Ų | 76.2 | 52% | 0.515 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -69.4 | -31.2 | 178.2 | 54.6 | 0 | 0 | 0 | 0 | 112.6 | T285 K291 | T285-T287 PolarHBondContact O-N 2.98Å; T285-T287 PolarHBondContact OG1-OG1 3.37Å; T287-K291 VanDerWaalsContact O-CG 3.28Å; T287-K291 WeakPolarHBondContact O-CG 3.47Å; T287-K291 PolarHBondContact O-N 2.95Å; T287-K291 VanDerWaalsContact O-N 3.13Å |
| 288 | Q | 72.1 | Confident | 76 | Confident | 85 Ų | 85 | 75.9 Ų | 75.9 | 40% | 0.397 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -70.4 | -42.7 | 172.2 | -74 | 168 | 14.9 | 0 | 0 | 110.8 | F283 T285 S286 S290 K291 H292 | F283-Q288 HydrophobicContact CB-CB 3.81Å; F283-Q288 HydrophobicContact CD1-CB 3.82Å; F283-Q288 HydrophobicContact CG-CB 4.08Å; T285-Q288 WeakPolarHBondContact O-CB 2.89Å; T285-Q288 PolarHBondContact O-N 3.49Å; T285-Q288 VanDerWaalsContact O-N 3.1Å; T285-Q288 WeakPolarHBondContact OG1-CG 3.36Å; T285-Q288 PolarHBondContact OG1-NE2 3.33Å; S286-Q288 VanDerWaalsContact C-N 3.34Å; S286-Q288 PolarHBondContact O-N 3.36Å; Q288-S290 PolarHBondContact O-N 3.01Å; Q288-K291 PolarHBondContact O-N 3.16Å; Q288-H292 WeakPolarHBondContact O-CB 3.49Å; Q288-H292 PolarHBondContact O-N 2.82Å |
| 289 | L | 82 | Confident | 76.1 | Confident | 19 Ų | 19 | 76.4 Ų | 76.4 | 10% | 0.099 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -60.2 | -45.7 | 173.2 | 173.5 | 61.7 | 0 | 0 | 0 | 111.5 | C276 F283 T285 S286 K291 H292 Q293 | C276-L289 VanDerWaalsContact CA-CD1 3.49Å; C276-L289 HydrophobicContact CB-CD1 3.69Å; F283-L289 HydrophobicContact CB-CB 4.26Å; F283-L289 HydrophobicContact CD2-CB 3.97Å; F283-L289 HydrophobicContact CD2-CD1 3.84Å; F283-L289 HydrophobicContact CE2-CD1 4.13Å; F283-L289 HydrophobicContact CG-CB 4.34Å; T285-L289 PolarHBondContact O-N 3.31Å; S286-L289 PolarHBondContact O-N 2.63Å; L289-K291 VanDerWaalsContact C-N 3.31Å; L289-K291 PolarHBondContact O-N 3.44Å; L289-H292 CarbonylContact O-C 3.47Å; L289-H292 PolarHBondContact O-N 3.42Å; L289-H292 VanDerWaalsContact O-N 3.11Å; L289-Q293 HydrophobicContact CD1-CG 3.98Å; L289-Q293 HydrophobicContact CG-CG 4.31Å; L289-Q293 WeakPolarHBondContact O-CG 3.47Å; L289-Q293 PolarHBondContact O-N 3.19Å |
| 290 | S | 74.8 | Confident | 75.7 | Confident | 62 Ų | 62 | 79 Ų | 79 | 43% | 0.434 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62.3 | -36.9 | 178.3 | -59.9 | 0 | 0 | 0 | 0 | 112.7 | S286 Q288 H292 Q293 V294 | S286-S290 PolarHBondContact O-N 2.69Å; S286-S290 PolarHBondContact O-OG 3.02Å; S286-S290 VanDerWaalsContact O-OG 3.07Å; Q288-S290 PolarHBondContact O-N 3.01Å; S290-H292 VanDerWaalsContact C-N 3.31Å; S290-Q293 PolarHBondContact O-N 3.45Å; S290-V294 VanDerWaalsContact O-CG2 3.3Å; S290-V294 WeakPolarHBondContact O-CG2 3.35Å; S290-V294 PolarHBondContact O-N 3.19Å |
| 291 | K | 78.8 | Confident | 75.3 | Confident | 159 Ų | 159 | 72.1 Ų | 72.1 | 69% | 0.691 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -66.3 | -36.3 | 174.5 | -74.6 | 172.2 | -176.2 | 179.1 | 0 | 112 | T287 Q288 L289 V294 | T287-K291 VanDerWaalsContact O-CG 3.28Å; T287-K291 WeakPolarHBondContact O-CG 3.47Å; T287-K291 PolarHBondContact O-N 2.95Å; T287-K291 VanDerWaalsContact O-N 3.13Å; Q288-K291 PolarHBondContact O-N 3.16Å; L289-K291 VanDerWaalsContact C-N 3.31Å; L289-K291 PolarHBondContact O-N 3.44Å; K291-V294 PolarHBondContact O-N 3.37Å |
| 292 | H | 78 | Confident | 74.6 | Confident | 26 Ų | 26 | 71.7 Ų | 71.7 | 12% | 0.12 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -74.6 | -36.5 | 176.7 | 169.2 | 69.7 | 0 | 0 | 0 | 112.6 | C276 C279 F283 Q288 L289 S290 V294 S295 H296 | C276-H292 WeakPolarHBondContact CB-NE2 3.3Å; C276-H292 PolarHBondContact SG-CD2 3.4Å; C276-H292 PolarHBondContact SG-NE2 3.11Å; C279-H292 PolarHBondContact SG-CE1 2.81Å; C279-H292 PolarHBondContact SG-NE2 3.3Å; F283-H292 HydrophobicContact CD2-CB 4.49Å; F283-H292 HydrophobicContact CE1-CB 3.9Å; F283-H292 HydrophobicContact CE2-CB 3.67Å; F283-H292 AromaticContact CE2-CD2 3.26Å; F283-H292 WeakPolarHBondContact CE2-CD2 3.19Å; F283-H292 AromaticContact CE2-CG 3.43Å; F283-H292 VanDerWaalsContact CE2-CG 3.43Å; F283-H292 HydrophobicContact CZ-CB 3.32Å; F283-H292 AromaticContact CZ-CD2 3.49Å; F283-H292 VanDerWaalsContact CZ-CD2 3.49Å; F283-H292 WeakPolarHBondContact CZ-CD2 3.46Å; F283-H292 AromaticContact CZ-CG 3.15Å; F283-H292 AromaticContact CZ-ND1 3.68Å; Q288-H292 WeakPolarHBondContact O-CB 3.49Å; Q288-H292 PolarHBondContact O-N 2.82Å; L289-H292 CarbonylContact O-C 3.47Å; L289-H292 PolarHBondContact O-N 3.42Å; L289-H292 VanDerWaalsContact O-N 3.11Å; S290-H292 VanDerWaalsContact C-N 3.31Å; H292-V294 PolarHBondContact O-N 3.19Å; H292-S295 WeakPolarHBondContact O-CB 3.3Å; H292-S295 PolarHBondContact O-N 2.94Å; H292-S295 PolarHBondContact O-OG 2.91Å; H292-H296 AromaticContact CD2-NE2 3.96Å; H292-H296 AromaticContact CE1-CD2 3.74Å; H292-H296 AromaticContact CE1-NE2 3.2Å; H292-H296 PolarHBondContact CE1-NE2 2.85Å; H292-H296 AromaticContact NE2-CD2 3.43Å; H292-H296 PolarHBondContact NE2-CD2 3.45Å; H292-H296 AromaticContact NE2-NE2 2.94Å; H292-H296 PolarHBondContact NE2-NE2 2.85Å; H292-H296 PolarHBondContact O-N 2.96Å |
| 293 | Q | 77.2 | Confident | 73.8 | Confident | 70 Ų | 70 | 72 Ų | 72 | 33% | 0.327 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.1 | -30.5 | 172.2 | -73 | 174.8 | -24.2 | 0 | 0 | 112.2 | L289 S290 S295 H296 V297 | L289-Q293 HydrophobicContact CD1-CG 3.98Å; L289-Q293 HydrophobicContact CG-CG 4.31Å; L289-Q293 WeakPolarHBondContact O-CG 3.47Å; L289-Q293 PolarHBondContact O-N 3.19Å; S290-Q293 PolarHBondContact O-N 3.45Å; Q293-S295 VanDerWaalsContact C-N 3.27Å; Q293-S295 PolarHBondContact O-N 3.35Å; Q293-H296 PolarHBondContact O-N 3.42Å; Q293-V297 WeakPolarHBondContact O-CG2 3.4Å; Q293-V297 PolarHBondContact O-N 2.87Å |
| 294 | V | 80.9 | Confident | 72.5 | Confident | 77 Ų | 77 | 79.4 Ų | 79.4 | 47% | 0.467 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -68.5 | -25.1 | 172.3 | 174.3 | 0 | 0 | 0 | 0 | 112.1 | S290 K291 H292 K298 L318 | S290-V294 VanDerWaalsContact O-CG2 3.3Å; S290-V294 WeakPolarHBondContact O-CG2 3.35Å; S290-V294 PolarHBondContact O-N 3.19Å; K291-V294 PolarHBondContact O-N 3.37Å; H292-V294 PolarHBondContact O-N 3.19Å; V294-K298 VanDerWaalsContact O-CB 3.28Å; V294-K298 WeakPolarHBondContact O-CB 3.29Å; V294-K298 PolarHBondContact O-N 3.48Å; V294-L318 HydrophobicContact CG1-CD2 4.33Å |
| 295 | S | 77.4 | Confident | 71.6 | Confident | 43 Ų | 43 | 74 Ų | 74 | 30% | 0.301 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -71.5 | -39.8 | 173.6 | 71.3 | 0 | 0 | 0 | 0 | 111.9 | H292 Q293 V297 K298 E299 | H292-S295 WeakPolarHBondContact O-CB 3.3Å; H292-S295 PolarHBondContact O-N 2.94Å; H292-S295 PolarHBondContact O-OG 2.91Å; Q293-S295 VanDerWaalsContact C-N 3.27Å; Q293-S295 PolarHBondContact O-N 3.35Å; S295-V297 PolarHBondContact O-N 2.83Å; S295-K298 CarbonylContact O-C 3.55Å; S295-K298 WeakPolarHBondContact O-CB 3.49Å; S295-K298 PolarHBondContact O-N 3.39Å; S295-K298 VanDerWaalsContact O-N 3.13Å; S295-E299 WeakPolarHBondContact O-CG 3.45Å; S295-E299 PolarHBondContact O-N 2.77Å |
| 296 | H | 78 | Confident | 70 | Confident | 26 Ų | 26 | 77.3 Ų | 77.3 | 12% | 0.12 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -60.4 | -45.4 | 173.1 | -74.2 | -70.6 | 0 | 0 | 0 | 112.1 | C279 H292 Q293 K298 E299 L300 | C279-H296 PolarHBondContact SG-NE2 3.11Å; H292-H296 AromaticContact CD2-NE2 3.96Å; H292-H296 AromaticContact CE1-CD2 3.74Å; H292-H296 AromaticContact CE1-NE2 3.2Å; H292-H296 PolarHBondContact CE1-NE2 2.85Å; H292-H296 AromaticContact NE2-CD2 3.43Å; H292-H296 PolarHBondContact NE2-CD2 3.45Å; H292-H296 AromaticContact NE2-NE2 2.94Å; H292-H296 PolarHBondContact NE2-NE2 2.85Å; H292-H296 PolarHBondContact O-N 2.96Å; Q293-H296 PolarHBondContact O-N 3.42Å; H296-K298 VanDerWaalsContact C-N 3.27Å; H296-K298 PolarHBondContact O-N 3.37Å; H296-E299 PolarHBondContact O-N 3.2Å; H296-L300 WeakPolarHBondContact O-CB 3.39Å; H296-L300 WeakPolarHBondContact O-CG 3.34Å; H296-L300 PolarHBondContact O-N 2.88Å |
| 297 | V | 74.9 | Confident | 69 | Low | 51 Ų | 51 | 77.8 Ų | 77.8 | 31% | 0.309 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -62.8 | -37.4 | 175.4 | 175.2 | 0 | 0 | 0 | 0 | 110.7 | Q293 S295 L301 L322 | Q293-V297 WeakPolarHBondContact O-CG2 3.4Å; Q293-V297 PolarHBondContact O-N 2.87Å; S295-V297 PolarHBondContact O-N 2.83Å; V297-L301 HydrophobicContact CG1-CD1 3.78Å; V297-L301 WeakPolarHBondContact O-CB 3.44Å; V297-L301 WeakPolarHBondContact O-CD1 3.45Å; V297-L301 PolarHBondContact O-N 2.99Å; V297-L322 HydrophobicContact CG1-CD1 4.35Å |
| 298 | K | 70.3 | Confident | 67.8 | Low | 101 Ų | 101 | 80.9 Ų | 80.9 | 44% | 0.439 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -67.5 | -45 | 176.7 | -173.8 | -176.7 | 173.2 | -172.6 | 0 | 112.2 | V294 S295 H296 L300 L301 D302 | V294-K298 VanDerWaalsContact O-CB 3.28Å; V294-K298 WeakPolarHBondContact O-CB 3.29Å; V294-K298 PolarHBondContact O-N 3.48Å; S295-K298 CarbonylContact O-C 3.55Å; S295-K298 WeakPolarHBondContact O-CB 3.49Å; S295-K298 PolarHBondContact O-N 3.39Å; S295-K298 VanDerWaalsContact O-N 3.13Å; H296-K298 VanDerWaalsContact C-N 3.27Å; H296-K298 PolarHBondContact O-N 3.37Å; K298-L300 VanDerWaalsContact C-N 3.34Å; K298-L300 PolarHBondContact O-N 2.94Å; K298-L301 CarbonylContact O-C 3.51Å; K298-L301 PolarHBondContact O-N 3.3Å; K298-L301 VanDerWaalsContact O-N 3.07Å; K298-D302 WeakPolarHBondContact O-CB 3.17Å; K298-D302 VanDerWaalsContact O-CG 3.22Å; K298-D302 PolarHBondContact O-N 3.01Å |
| 299 | E | 69.3 | Low | 66.8 | Low | 125 Ų | 125 | 85.1 Ų | 85.1 | 58% | 0.584 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -63.4 | -40.4 | 177.4 | -76.4 | 173.6 | -179.3 | 0 | 0 | 111.6 | S295 H296 L301 D302 S303 | S295-E299 WeakPolarHBondContact O-CG 3.45Å; S295-E299 PolarHBondContact O-N 2.77Å; H296-E299 PolarHBondContact O-N 3.2Å; E299-L301 VanDerWaalsContact C-N 3.33Å; E299-L301 PolarHBondContact O-N 3.23Å; E299-D302 PolarHBondContact O-N 3.01Å; E299-S303 PolarHBondContact O-N 2.79Å |
| 300 | L | 71.9 | Confident | 65.2 | Low | 88 Ų | 88 | 91.5 Ų | 91.5 | 46% | 0.461 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.8 | -38.5 | 170.1 | -74.3 | 165.6 | 0 | 0 | 0 | 111.9 | H296 K298 D302 S303 Y304 | H296-L300 WeakPolarHBondContact O-CB 3.39Å; H296-L300 WeakPolarHBondContact O-CG 3.34Å; H296-L300 PolarHBondContact O-N 2.88Å; K298-L300 VanDerWaalsContact C-N 3.34Å; K298-L300 PolarHBondContact O-N 2.94Å; L300-D302 VanDerWaalsContact C-N 3.35Å; L300-S303 PolarHBondContact O-OG 2.97Å; L300-Y304 VanDerWaalsContact O-CD2 3.3Å; L300-Y304 WeakPolarHBondContact O-CD2 3.5Å; L300-Y304 PolarHBondContact O-N 3.04Å |
| 301 | L | 65.1 | Low | 64.2 | Low | 27 Ų | 27 | 94 Ų | 94 | 14% | 0.141 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -71.8 | -30.8 | 177.1 | -96.3 | 73.2 | 0 | 0 | 0 | 112.8 | V297 K298 E299 T305 L318 R321 | V297-L301 HydrophobicContact CG1-CD1 3.78Å; V297-L301 WeakPolarHBondContact O-CB 3.44Å; V297-L301 WeakPolarHBondContact O-CD1 3.45Å; V297-L301 PolarHBondContact O-N 2.99Å; K298-L301 CarbonylContact O-C 3.51Å; K298-L301 PolarHBondContact O-N 3.3Å; K298-L301 VanDerWaalsContact O-N 3.07Å; E299-L301 VanDerWaalsContact C-N 3.33Å; E299-L301 PolarHBondContact O-N 3.23Å; L301-T305 PolarHBondContact O-OG1 3.18Å; L301-T305 VanDerWaalsContact O-OG1 3.11Å; L301-L318 HydrophobicContact CD2-CD1 3.86Å; L301-R321 HydrophobicContact CD2-CB 3.9Å; L301-R321 PolarHBondContact O-NH2 3.19Å |
| 302 | D | 57.9 | Low | 62.8 | Low | 87 Ų | 87 | 89.5 Ų | 89.5 | 47% | 0.465 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -75.1 | -34.1 | 178.5 | -71.1 | -19.3 | 0 | 0 | 0 | 110.9 | K298 E299 L300 T305 | K298-D302 WeakPolarHBondContact O-CB 3.17Å; K298-D302 VanDerWaalsContact O-CG 3.22Å; K298-D302 PolarHBondContact O-N 3.01Å; E299-D302 PolarHBondContact O-N 3.01Å; L300-D302 VanDerWaalsContact C-N 3.35Å; D302-T305 CarbonylContact O-C 3.56Å; D302-T305 PolarHBondContact O-N 2.91Å |
| 303 | S | 61.5 | Low | 61.5 | Low | 75 Ų | 75 | 95.6 Ų | 95.6 | 52% | 0.524 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -69.1 | -32.3 | 174.4 | 68.8 | 0 | 0 | 0 | 0 | 113.7 | E299 L300 T305 | E299-S303 PolarHBondContact O-N 2.79Å; L300-S303 PolarHBondContact O-OG 2.97Å; S303-T305 VanDerWaalsContact C-N 3.33Å |
| 304 | Y | 50.4 | Low | 60.2 | Low | 192 Ų | 192 | 94.2 Ų | 94.2 | 75% | 0.753 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -10.3 | 176.1 | -89.2 | -90.2 | 0 | 0 | 0 | 114.3 | L300 | L300-Y304 VanDerWaalsContact O-CD2 3.3Å; L300-Y304 WeakPolarHBondContact O-CD2 3.5Å; L300-Y304 PolarHBondContact O-N 3.04Å |
| 305 | T | 52.8 | Low | 58.9 | Low | 51 Ų | 51 | 95.8 Ų | 95.8 | 31% | 0.313 | 53% | 0.532 | S | S | . | . | S | Bend | trans | -134.4 | 72.6 | 174.8 | 53 | 0 | 0 | 0 | 0 | 111.2 | L301 D302 S303 G307 R321 | L301-T305 PolarHBondContact O-OG1 3.18Å; L301-T305 VanDerWaalsContact O-OG1 3.11Å; D302-T305 CarbonylContact O-C 3.56Å; D302-T305 PolarHBondContact O-N 2.91Å; S303-T305 VanDerWaalsContact C-N 3.33Å; T305-G307 PolarHBondContact O-N 3.01Å; T305-R321 PolarHBondContact OG1-NH1 3.29Å |
| 306 | P | 45.9 | Very low | 57.6 | Low | 120 Ų | 120 | 96.6 Ų | 96.6 | 78% | 0.779 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | 127.4 | 171.9 | -1.8 | 15.9 | 0 | 0 | 0 | 108.7 | ||
| 307 | G | 52.5 | Low | 56.4 | Low | 66 Ų | 66 | 98.3 Ų | 98.3 | 68% | 0.68 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 102 | 10.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | T305 | T305-G307 PolarHBondContact O-N 3.01Š|
| 308 | K | 52.3 | Low | 55.3 | Low | 149 Ų | 149 | 99 Ų | 99 | 65% | 0.648 | 55% | 0.55 | S | S | * | . | trans | -118.1 | 59.4 | 166.8 | -66.1 | -171.4 | -175.9 | -179.3 | 0 | 111.4 | N310 L311 | K308-N310 PolarHBondContact O-N 2.73Å; K308-L311 HydrophobicContact CB-CD1 4.32Å; K308-L311 HydrophobicContact CD-CD1 4.13Å | ||
| 309 | E | 51.5 | Low | 54.7 | Low | 173 Ų | 173 | 101.8 Ų | 101.8 | 81% | 0.808 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | 12.2 | -174.3 | 54.5 | -158 | 127.6 | 0 | 0 | 116.1 | ||
| 310 | N | 48.7 | Very low | 54 | Low | 153 Ų | 153 | 100.2 Ų | 100.2 | 82% | 0.818 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.6 | 24.1 | -178.8 | -75.6 | -65.4 | 0 | 0 | 0 | 115.9 | K308 | K308-N310 PolarHBondContact O-N 2.73Š|
| 311 | L | 52.1 | Low | 53.1 | Low | 116 Ų | 116 | 99.9 Ų | 99.9 | 61% | 0.607 | 55% | 0.549 | S | S | * | . | trans | -106 | 31.9 | 174 | -74.9 | 163.7 | 0 | 0 | 0 | 113.4 | K308 | K308-L311 HydrophobicContact CB-CD1 4.32Å; K308-L311 HydrophobicContact CD-CD1 4.13Å | ||
| 312 | G | 49.2 | Very low | 52.5 | Low | 63 Ų | 63 | 103.2 Ų | 103.2 | 65% | 0.649 | 57% | 0.566 | S | S | * | * | trans | -96.5 | 5.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 313 | E | 52.1 | Low | 52.3 | Low | 155 Ų | 155 | 106.7 Ų | 106.7 | 72% | 0.724 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -113.8 | 4.8 | -169.5 | -76.5 | -165.5 | 132.6 | 0 | 0 | 116.8 | R428 | E313-R428 IonicContact OE1-CZ 3.57Å; E313-R428 IonicContact OE1-NH1 2.74Å; E313-R428 PolarHBondContact OE1-NH1 3.21Å; E313-R428 IonicContact OE1-NH2 3.66Å |
| 314 | S | 50.3 | Low | 51.4 | Low | 40 Ų | 40 | 108 Ų | 108 | 28% | 0.28 | 58% | 0.578 | S | S | . | * | trans | -122.8 | 118.9 | 170.5 | 108.4 | 0 | 0 | 0 | 0 | 111.5 | S316 D317 | S314-S316 WeakPolarHBondContact CB-OG 3.36Å; S314-S316 PolarHBondContact O-N 3.04Å; S314-S316 PolarHBondContact OG-OG 2.76Å; S314-D317 PolarHBondContact O-N 2.93Å; S314-D317 PolarHBondContact OG-N 3.47Å; S314-D317 PolarHBondContact OG-OD2 2.79Å | ||
| 315 | S | 52.8 | Low | 51 | Low | 110 Ų | 110 | 104.4 Ų | 104.4 | 77% | 0.769 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -55.1 | -15.8 | 172.7 | 64.1 | 0 | 0 | 0 | 0 | 113.5 | K319 | S315-K319 VanDerWaalsContact O-CB 3.3Å; S315-K319 WeakPolarHBondContact O-CB 3.4Å; S315-K319 PolarHBondContact O-N 2.93Å |
| 316 | S | 50.1 | Low | 50.6 | Low | 60 Ų | 60 | 105.6 Ų | 105.6 | 42% | 0.42 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -70.2 | -42.2 | 174 | 13 | 0 | 0 | 0 | 0 | 112.6 | S314 K319 I320 | S314-S316 WeakPolarHBondContact CB-OG 3.36Å; S314-S316 PolarHBondContact O-N 3.04Å; S314-S316 PolarHBondContact OG-OG 2.76Å; S316-K319 CarbonylContact O-C 3.52Å; S316-K319 WeakPolarHBondContact O-CB 3.27Å; S316-K319 PolarHBondContact O-N 3.21Å; S316-I320 WeakPolarHBondContact O-CB 3.43Å; S316-I320 WeakPolarHBondContact O-CD1 3.14Å; S316-I320 WeakPolarHBondContact O-CG1 3.45Å; S316-I320 PolarHBondContact O-N 3.09Å |
| 317 | D | 52 | Low | 50.5 | Low | 63 Ų | 63 | 109.5 Ų | 109.5 | 34% | 0.337 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -72.6 | -37.1 | -173.7 | -63.2 | -40.9 | 0 | 0 | 0 | 112 | S314 K319 I320 R321 | S314-D317 PolarHBondContact O-N 2.93Å; S314-D317 PolarHBondContact OG-N 3.47Å; S314-D317 PolarHBondContact OG-OD2 2.79Å; D317-K319 VanDerWaalsContact C-N 3.34Å; D317-I320 PolarHBondContact O-N 2.83Å; D317-R321 PolarHBondContact O-N 2.94Å |
| 318 | L | 53.2 | Low | 49.9 | Very low | 65 Ų | 65 | 113.4 Ų | 113.4 | 34% | 0.34 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -64.5 | -40.4 | 171 | -164.4 | 73.5 | 0 | 0 | 0 | 111.1 | V294 L301 I320 R321 L322 | V294-L318 HydrophobicContact CG1-CD2 4.33Å; L301-L318 HydrophobicContact CD2-CD1 3.86Å; L318-I320 VanDerWaalsContact C-N 3.31Å; L318-I320 PolarHBondContact O-N 3.29Å; L318-R321 PolarHBondContact O-N 3.47Å; L318-L322 HydrophobicContact CD1-CD1 4.43Å; L318-L322 HydrophobicContact CG-CD1 3.97Å; L318-L322 WeakPolarHBondContact O-CD1 3.48Å; L318-L322 PolarHBondContact O-N 3.37Å |
| 319 | K | 57.3 | Low | 49.2 | Very low | 159 Ų | 159 | 115.6 Ų | 115.6 | 69% | 0.691 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -69.1 | -29.1 | 177.1 | -164.9 | 169.1 | -171.8 | 171 | 0 | 112.4 | S315 S316 D317 K323 | S315-K319 VanDerWaalsContact O-CB 3.3Å; S315-K319 WeakPolarHBondContact O-CB 3.4Å; S315-K319 PolarHBondContact O-N 2.93Å; S316-K319 CarbonylContact O-C 3.52Å; S316-K319 WeakPolarHBondContact O-CB 3.27Å; S316-K319 PolarHBondContact O-N 3.21Å; D317-K319 VanDerWaalsContact C-N 3.34Å; K319-K323 WeakPolarHBondContact O-CB 3.36Å; K319-K323 PolarHBondContact O-N 3.06Å |
| 320 | I | 54.1 | Low | 48.8 | Very low | 92 Ų | 92 | 113 Ų | 113 | 47% | 0.472 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -73.4 | -43.2 | 173.8 | -69.9 | 160.3 | 0 | 0 | 0 | 110.3 | S316 D317 L318 K323 L324 | S316-I320 WeakPolarHBondContact O-CB 3.43Å; S316-I320 WeakPolarHBondContact O-CD1 3.14Å; S316-I320 WeakPolarHBondContact O-CG1 3.45Å; S316-I320 PolarHBondContact O-N 3.09Å; D317-I320 PolarHBondContact O-N 2.83Å; L318-I320 VanDerWaalsContact C-N 3.31Å; L318-I320 PolarHBondContact O-N 3.29Å; I320-K323 WeakPolarHBondContact O-CB 3.33Å; I320-K323 PolarHBondContact O-N 3.39Å; I320-L324 HydrophobicContact CG2-CD1 4.1Å; I320-L324 WeakPolarHBondContact O-CG 3.29Å; I320-L324 PolarHBondContact O-N 3.29Å; I320-L324 VanDerWaalsContact O-N 3.11Å |
| 321 | R | 53.8 | Low | 48 | Very low | 82 Ų | 82 | 112.3 Ų | 112.3 | 31% | 0.309 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -66 | -42.3 | 175.4 | -76.3 | -175.6 | 63.9 | 166.8 | -4 | 112.9 | L301 T305 D317 L318 K323 L324 C325 | L301-R321 HydrophobicContact CD2-CB 3.9Å; L301-R321 PolarHBondContact O-NH2 3.19Å; T305-R321 PolarHBondContact OG1-NH1 3.29Å; D317-R321 PolarHBondContact O-N 2.94Å; L318-R321 PolarHBondContact O-N 3.47Å; R321-K323 PolarHBondContact O-N 3.25Å; R321-L324 PolarHBondContact O-N 2.72Å; R321-C325 PolarHBondContact O-N 3.43Å |
| 322 | L | 52.9 | Low | 46.8 | Very low | 96 Ų | 96 | 115.9 Ų | 115.9 | 50% | 0.503 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -60.8 | -29.4 | 172.3 | -95.2 | 91.4 | 0 | 0 | 0 | 112.7 | V297 L318 | V297-L322 HydrophobicContact CG1-CD1 4.35Å; L318-L322 HydrophobicContact CD1-CD1 4.43Å; L318-L322 HydrophobicContact CG-CD1 3.97Å; L318-L322 WeakPolarHBondContact O-CD1 3.48Å; L318-L322 PolarHBondContact O-N 3.37Å |
| 323 | K | 53.1 | Low | 45.8 | Very low | 160 Ų | 160 | 122.5 Ų | 122.5 | 70% | 0.696 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -76.9 | -23.7 | 175.4 | -121.8 | 175 | 177.3 | -178 | 0 | 113.7 | K319 I320 R321 S326 | K319-K323 WeakPolarHBondContact O-CB 3.36Å; K319-K323 PolarHBondContact O-N 3.06Å; I320-K323 WeakPolarHBondContact O-CB 3.33Å; I320-K323 PolarHBondContact O-N 3.39Å; R321-K323 PolarHBondContact O-N 3.25Å; K323-S326 PolarHBondContact O-OG 2.83Å; K323-S326 VanDerWaalsContact O-OG 3.07Å |
| 324 | L | 41.9 | Very low | 44.8 | Very low | 103 Ų | 103 | 120.8 Ų | 120.8 | 54% | 0.539 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -81.4 | -34.6 | 179 | -76.5 | 160.6 | 0 | 0 | 0 | 111.4 | I320 R321 S326 | I320-L324 HydrophobicContact CG2-CD1 4.1Å; I320-L324 WeakPolarHBondContact O-CG 3.29Å; I320-L324 PolarHBondContact O-N 3.29Å; I320-L324 VanDerWaalsContact O-N 3.11Å; R321-L324 PolarHBondContact O-N 2.72Å; L324-S326 PolarHBondContact O-N 3.23Å |
| 325 | C | 42.4 | Very low | 44.1 | Very low | 116 Ų | 116 | 127.3 Ų | 127.3 | 78% | 0.784 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -6.4 | 174.5 | -65.5 | 0 | 0 | 0 | 0 | 114.4 | R321 | R321-C325 PolarHBondContact O-N 3.43Š|
| 326 | S | 44.8 | Very low | 43 | Very low | 76 Ų | 76 | 128.1 Ų | 128.1 | 53% | 0.531 | 65% | 0.651 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -100.9 | 24.1 | -179.8 | 67.7 | 0 | 0 | 0 | 0 | 113.5 | K323 L324 D328 | K323-S326 PolarHBondContact O-OG 2.83Å; K323-S326 VanDerWaalsContact O-OG 3.07Å; L324-S326 PolarHBondContact O-N 3.23Å; S326-D328 PolarHBondContact O-N 2.79Å |
| 327 | R | 43.2 | Very low | 42.6 | Very low | 202 Ų | 202 | 134.5 Ų | 134.5 | 76% | 0.762 | 67% | 0.672 | S | S | * | * | trans | -82.6 | 21.8 | -176.7 | -80.3 | -178.1 | 77.1 | 123.1 | -3.9 | 115 | ||||
| 328 | D | 40 | Very low | 41.8 | Very low | 148 Ų | 148 | 140.9 Ų | 140.9 | 79% | 0.791 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -125.6 | 100.7 | 166.3 | -76.2 | -57.2 | 0 | 0 | 0 | 111.4 | S326 | S326-D328 PolarHBondContact O-N 2.79Š|
| 329 | K | 38.3 | Very low | 40.8 | Very low | 195 Ų | 195 | 145.7 Ų | 145.7 | 85% | 0.848 | 72% | 0.722 | S | S | * | * | S | Bend | trans | 88 | 144.4 | 161.7 | -71.7 | 152.4 | -178.6 | 174.5 | 0 | 119.1 | ||
| 330 | P | 42.1 | Very low | 39.8 | Very low | 118 Ų | 118 | 149.7 Ų | 149.7 | 77% | 0.766 | 73% | 0.733 | S | S | * | * | -113.1 | 152.2 | -116.3 | 38.5 | -32.7 | 0 | 0 | 0 | 116 | |||||
| 331 | N | 32.1 | Very low | 38.8 | Very low | 139 Ų | 139 | 156.9 Ų | 156.9 | 74% | 0.743 | 75% | 0.754 | S | S | * | * | trans | 40 | 123.5 | 150.4 | -104.3 | -31.8 | 0 | 0 | 0 | 121.2 | ||||
| 332 | F | 27.5 | Very low | 37.9 | Very low | 191 Ų | 191 | 164.8 Ų | 164.8 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | -160.7 | 105.3 | 109.8 | -118.5 | -88.9 | 0 | 0 | 0 | 108.8 | |||||
| 333 | Y | 27.3 | Very low | 37.2 | Very low | 202 Ų | 202 | 172.5 Ų | 172.5 | 79% | 0.792 | 81% | 0.806 | S | S | * | * | S | Bend | trans | 166.6 | 93.5 | 136 | -94.2 | -72.9 | 0 | 0 | 0 | 109.5 | ||
| 334 | T | 32.3 | Very low | 36.2 | Very low | 120 Ų | 120 | 168.9 Ų | 168.9 | 74% | 0.736 | 82% | 0.815 | S | S | * | * | trans | 33.4 | 102.8 | 147.4 | 59.7 | 0 | 0 | 0 | 0 | 117.8 | C336 | T334-C336 PolarHBondContact O-N 3.1Š| ||
| 335 | L | 35.8 | Very low | 35.6 | Very low | 177 Ų | 177 | 167.6 Ų | 167.6 | 93% | 0.927 | 83% | 0.827 | S | S | * | * | trans | -49.5 | 116.2 | 160.3 | -65.9 | 163.1 | 0 | 0 | 0 | 111 | K337 | L335-K337 PolarHBondContact O-N 2.77Š| ||
| 336 | C | 29.6 | Very low | 35.1 | Very low | 126 Ų | 126 | 173.5 Ų | 173.5 | 85% | 0.851 | 83% | 0.832 | S | S | * | * | trans | -82.2 | 102.3 | 163.4 | -153.9 | 0 | 0 | 0 | 0 | 108.1 | T334 K338 | T334-C336 PolarHBondContact O-N 3.1Å; C336-K338 PolarHBondContact O-N 3.24Å; C336-K338 VanDerWaalsContact O-N 3.1Å | ||
| 337 | K | 40.6 | Very low | 35.3 | Very low | 195 Ų | 195 | 175.1 Ų | 175.1 | 85% | 0.848 | 84% | 0.841 | S | S | * | * | trans | -45.6 | 112.3 | 159.3 | -84 | 173.1 | 169.8 | 174.6 | 0 | 108.9 | L335 | L335-K337 PolarHBondContact O-N 2.77Š| ||
| 338 | K | 35.6 | Very low | 35.1 | Very low | 196 Ų | 196 | 171.7 Ų | 171.7 | 85% | 0.852 | 85% | 0.845 | S | S | * | * | trans | -179.1 | 85.6 | 145.7 | -101.3 | 169.9 | -173.2 | -173.4 | 0 | 108.4 | C336 | C336-K338 PolarHBondContact O-N 3.24Å; C336-K338 VanDerWaalsContact O-N 3.1Å | ||
| 339 | N | 31.9 | Very low | 34.8 | Very low | 166 Ų | 166 | 176.1 Ų | 176.1 | 89% | 0.888 | 85% | 0.851 | S | S | * | * | trans | -163.5 | 92.8 | 149.4 | -105.1 | -5 | 0 | 0 | 0 | 109 | ||||
| 340 | R | 37.8 | Very low | 34.6 | Very low | 243 Ų | 243 | 178.6 Ų | 178.6 | 92% | 0.917 | 86% | 0.855 | S | S | * | * | trans | -157.7 | 93.1 | 153 | -110.5 | -179.5 | 177.6 | 175.6 | -0.8 | 107.7 | ||||
| 341 | R | 32.7 | Very low | 34.1 | Very low | 243 Ų | 243 | 177.6 Ų | 177.6 | 92% | 0.917 | 86% | 0.856 | S | S | * | * | trans | 167.7 | 85 | 139.3 | -88.2 | 175.4 | -157.2 | -85.2 | 4.5 | 109.3 | ||||
| 342 | R | 35.1 | Very low | 34.1 | Very low | 249 Ų | 249 | 175.1 Ų | 175.1 | 94% | 0.94 | 86% | 0.855 | S | S | * | * | trans | -134.7 | 102.9 | 151.3 | -84.8 | -93.7 | -171.4 | -102.6 | 0 | 105.6 | ||||
| 343 | R | 36.8 | Very low | 34.3 | Very low | 257 Ų | 257 | 173.4 Ų | 173.4 | 97% | 0.97 | 86% | 0.855 | S | S | * | * | trans | -143.7 | 130.1 | 155.1 | -94.8 | -164.5 | -178.2 | -133.7 | 1.7 | 107.8 | ||||
| 344 | G | 32.4 | Very low | 34.7 | Very low | 84 Ų | 84 | 170.7 Ų | 170.7 | 87% | 0.866 | 85% | 0.854 | S | S | * | * | trans | 108.6 | 119.3 | 156 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 345 | G | 30.6 | Very low | 35.9 | Very low | 77 Ų | 77 | 170.2 Ų | 170.2 | 79% | 0.794 | 85% | 0.853 | S | S | * | * | trans | 115.4 | 88.1 | 141.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 346 | R | 30.7 | Very low | 35.8 | Very low | 239 Ų | 239 | 170.7 Ų | 170.7 | 90% | 0.902 | 85% | 0.851 | S | S | * | * | trans | 36.5 | 140.1 | 133.5 | -152.6 | 168.5 | -174.6 | -107.8 | 4.2 | 121.1 | ||||
| 347 | P | 49.7 | Very low | 35.9 | Very low | 110 Ų | 110 | 169.4 Ų | 169.4 | 71% | 0.714 | 85% | 0.849 | S | S | * | * | trans | -85 | 159.8 | 178 | 36.6 | -33.9 | 0 | 0 | 0 | 112 | ||||
| 348 | P | 38.8 | Very low | 35.6 | Very low | 130 Ų | 130 | 163.9 Ų | 163.9 | 84% | 0.844 | 85% | 0.847 | S | S | * | * | trans | -120.4 | 155.5 | 156.3 | 29.3 | -13.1 | 0 | 0 | 0 | 114.1 | ||||
| 349 | R | 33.7 | Very low | 35.5 | Very low | 241 Ų | 241 | 159.8 Ų | 159.8 | 91% | 0.909 | 85% | 0.85 | S | S | * | * | trans | -82.2 | 157.1 | 174.1 | -71.1 | 173.8 | 161.9 | -121.8 | -0 | 110.8 | ||||
| 350 | R | 33.3 | Very low | 35.7 | Very low | 248 Ų | 248 | 155.9 Ų | 155.9 | 94% | 0.936 | 85% | 0.849 | S | S | * | * | trans | 1.6 | 139.7 | 160.3 | -62.4 | -175.8 | 177.2 | -167.1 | -1.5 | 121 | ||||
| 351 | A | 31.6 | Very low | 35.7 | Very low | 96 Ų | 96 | 152.9 Ų | 152.9 | 79% | 0.793 | 85% | 0.845 | S | S | * | * | 113 | 125.9 | 128.3 | 0 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 352 | A | 33.2 | Very low | 36.2 | Very low | 88 Ų | 88 | 147 Ų | 147 | 73% | 0.727 | 84% | 0.839 | S | S | * | * | trans | 91.4 | 129.4 | 137.8 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 353 | D | 31.9 | Very low | 36.7 | Very low | 154 Ų | 154 | 138.3 Ų | 138.3 | 82% | 0.824 | 83% | 0.826 | S | S | * | * | trans | 79.6 | 120.7 | 151.7 | -59.7 | -57.3 | 0 | 0 | 0 | 123.3 | ||||
| 354 | D | 34.9 | Very low | 37.5 | Very low | 146 Ų | 146 | 129.1 Ų | 129.1 | 78% | 0.781 | 81% | 0.812 | S | S | * | * | trans | -19.1 | 179.5 | 158.7 | -88 | -76.4 | 0 | 0 | 0 | 121.6 | ||||
| 355 | P | 58.1 | Low | 38.7 | Very low | 110 Ų | 110 | 135.8 Ų | 135.8 | 71% | 0.714 | 81% | 0.811 | S | S | * | * | -130.9 | -168.3 | -60.7 | 35.4 | -14 | 0 | 0 | 0 | 112.4 | |||||
| 356 | E | 32.5 | Very low | 40.7 | Very low | 187 Ų | 187 | 141 Ų | 141 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | trans | 94.3 | 128.1 | 165.8 | -83.9 | -151.7 | 118.4 | 0 | 0 | 122.6 | ||||
| 357 | A | 32 | Very low | 43.1 | Very low | 98 Ų | 98 | 132.8 Ų | 132.8 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | trans | 45.1 | 122.2 | 154.4 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 358 | G | 34.2 | Very low | 44.8 | Very low | 80 Ų | 80 | 131 Ų | 131 | 83% | 0.825 | 77% | 0.765 | S | S | * | * | cis | 126.2 | 99.7 | 26.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 359 | A | 34.6 | Very low | 47 | Very low | 109 Ų | 109 | 124.8 Ų | 124.8 | 90% | 0.901 | 73% | 0.725 | S | S | * | * | trans | -174.8 | 131.7 | 155.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 360 | G | 34.7 | Very low | 49.1 | Very low | 84 Ų | 84 | 119.9 Ų | 119.9 | 87% | 0.866 | 72% | 0.717 | S | S | * | * | trans | -77.9 | 145.8 | -162.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 361 | E | 38.9 | Very low | 51.1 | Low | 180 Ų | 180 | 114.1 Ų | 114.1 | 84% | 0.841 | 70% | 0.704 | S | S | * | * | trans | -118.8 | 145.9 | 162.7 | -102.2 | -95.2 | 123.4 | 0 | 0 | 107.9 | G363 | E361-G363 VanDerWaalsContact C-N 3.31Å; E361-G363 PolarHBondContact O-N 3.46Å | ||
| 362 | P | 43.6 | Very low | 53.5 | Low | 121 Ų | 121 | 112 Ų | 112 | 79% | 0.786 | 68% | 0.683 | S | S | * | * | trans | -74.8 | 84.2 | -169.7 | 30.6 | -32.3 | 0 | 0 | 0 | 110.4 | G364 | P362-G364 PolarHBondContact O-N 3.49Š| ||
| 363 | G | 44.1 | Very low | 55.6 | Low | 65 Ų | 65 | 110.6 Ų | 110.6 | 67% | 0.67 | 68% | 0.677 | S | S | * | * | trans | -63.2 | 115.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | E361 R365 | E361-G363 VanDerWaalsContact C-N 3.31Å; E361-G363 PolarHBondContact O-N 3.46Å; G363-R365 PolarHBondContact O-N 2.97Å; G363-R365 VanDerWaalsContact O-N 3.16Å | ||
| 364 | G | 54 | Low | 58 | Low | 65 Ų | 65 | 108.9 Ų | 108.9 | 67% | 0.67 | 66% | 0.662 | S | S | * | * | trans | -52.2 | 123.3 | 161.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | P362 R366 | P362-G364 PolarHBondContact O-N 3.49Å; G364-R366 PolarHBondContact O-N 3.14Å | ||
| 365 | R | 57.4 | Low | 60.1 | Low | 224 Ų | 224 | 104.7 Ų | 104.7 | 85% | 0.845 | 64% | 0.644 | S | S | * | * | trans | -49.5 | 103.6 | -174.6 | -69.3 | -176 | -164.7 | -156.7 | 2.4 | 109.9 | G363 | G363-R365 PolarHBondContact O-N 2.97Å; G363-R365 VanDerWaalsContact O-N 3.16Å | ||
| 366 | R | 73.4 | Confident | 61.2 | Low | 187 Ų | 187 | 101.5 Ų | 101.5 | 71% | 0.706 | 62% | 0.619 | S | S | * | * | trans | -81.8 | 125.7 | 171.5 | -73.1 | -176.6 | 165.8 | -160.2 | -0.2 | 106.9 | G364 T368 F376 | G364-R366 PolarHBondContact O-N 3.14Å; R366-T368 PolarHBondContact O-N 3.37Å; R366-F376 CarbonylContact C-O 3.54Å; R366-F376 WeakPolarHBondContact CA-O 3.46Å | ||
| 367 | H | 81.5 | Confident | 63.6 | Low | 65 Ų | 65 | 95.9 Ų | 95.9 | 30% | 0.301 | 60% | 0.6 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87.2 | 107.1 | 179.9 | -67.5 | -81.6 | 0 | 0 | 0 | 108.9 | F376 H378 A379 L382 | H367-F376 PolarHBondContact N-O 3.41Å; H367-F376 WeakPolarHBondContact O-CB 3.29Å; H367-F376 WeakPolarHBondContact O-CD2 3.48Å; H367-F376 PolarHBondContact O-N 2.77Å; H367-H378 VanDerWaalsContact CD2-C 3.42Å; H367-A379 PolarHBondContact CD2-N 3.24Å; H367-A379 PolarHBondContact NE2-N 3.07Å; H367-L382 HydrophobicContact CB-CB 3.88Å; H367-L382 HydrophobicContact CB-CD2 3.69Å; H367-L382 HydrophobicContact CB-CG 4.38Å |
| 368 | T | 84.4 | Confident | 66 | Low | 72 Ų | 72 | 96.5 Ų | 96.5 | 44% | 0.442 | 59% | 0.586 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.6 | 147 | -178.4 | 45.8 | 0 | 0 | 0 | 0 | 111.9 | R366 K374 L382 | R366-T368 PolarHBondContact O-N 3.37Å; T368-K374 CarbonylContact C-O 3.48Å; T368-K374 WeakPolarHBondContact CA-O 3.39Å; T368-L382 VanDerWaalsContact C-CD1 3.5Å; T368-L382 WeakPolarHBondContact O-CD1 3.24Å; T368-L382 WeakPolarHBondContact O-CD2 3.43Å |
| 369 | C | 84.9 | Confident | 68.1 | Low | 1 Ų | 1 | 94.8 Ų | 94.8 | 1% | 0.007 | 56% | 0.564 | C | S | . | * | trans | -90.4 | 118.9 | 172.9 | -175.8 | 0 | 0 | 0 | 0 | 110.6 | L371 C372 G373 K374 F376 L382 H385 | C369-L371 PolarHBondContact O-N 3.47Å; C369-C372 PolarHBondContact O-N 3.24Å; C369-G373 VanDerWaalsContact O-CA 3.25Å; C369-G373 WeakPolarHBondContact O-CA 3.27Å; C369-G373 PolarHBondContact O-N 3.33Å; C369-K374 PolarHBondContact N-O 3.12Å; C369-F376 HydrophobicContact CB-CE2 4.29Å; C369-L382 HydrophobicContact CB-CD1 3.49Å; C369-L382 VanDerWaalsContact CB-CD1 3.49Å; C369-H385 VanDerWaalsContact SG-CD2 3.56Å | ||
| 370 | D | 78.1 | Confident | 70.2 | Confident | 137 Ų | 137 | 93.9 Ų | 93.9 | 73% | 0.733 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | -21.7 | -176.5 | -48.4 | -51.9 | 0 | 0 | 0 | 113 | ||
| 371 | L | 75.4 | Confident | 72.3 | Confident | 128 Ų | 128 | 95.8 Ų | 95.8 | 67% | 0.67 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -22.3 | -179.4 | -62.7 | 177.3 | 0 | 0 | 0 | 114.2 | C369 H389 | C369-L371 PolarHBondContact O-N 3.47Å; L371-H389 HydrophobicContact CD1-CB 3.75Å |
| 372 | C | 81.3 | Confident | 74.5 | Confident | 52 Ų | 52 | 88 Ų | 88 | 35% | 0.351 | 50% | 0.497 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -148 | 14.2 | -177.5 | 78.6 | 0 | 0 | 0 | 0 | 114.8 | C369 K374 H385 H389 | C369-C372 PolarHBondContact O-N 3.24Å; C372-K374 PolarHBondContact O-N 3.34Å; C372-K374 VanDerWaalsContact SG-CG 3.58Å; C372-H385 PolarHBondContact SG-NE2 2.94Å; C372-H389 PolarHBondContact SG-NE2 3.28Å; C372-H389 VanDerWaalsContact SG-NE2 3.43Å |
| 373 | G | 77.5 | Confident | 76.3 | Confident | 58 Ų | 58 | 85.9 Ų | 85.9 | 60% | 0.598 | 48% | 0.481 | S | S | * | . | trans | 66.3 | 3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | C369 S375 | C369-G373 VanDerWaalsContact O-CA 3.25Å; C369-G373 WeakPolarHBondContact O-CA 3.27Å; C369-G373 PolarHBondContact O-N 3.33Å; G373-S375 PolarHBondContact O-N 2.98Å | ||
| 374 | K | 81.7 | Confident | 78 | Confident | 118 Ų | 118 | 90.4 Ų | 90.4 | 51% | 0.513 | 48% | 0.478 | S | S | . | . | trans | -71.1 | 125.2 | -173.6 | -73.7 | 177.4 | -170.7 | 174 | 0 | 111 | T368 C369 C372 F376 | T368-K374 CarbonylContact C-O 3.48Å; T368-K374 WeakPolarHBondContact CA-O 3.39Å; C369-K374 PolarHBondContact N-O 3.12Å; C372-K374 PolarHBondContact O-N 3.34Å; C372-K374 VanDerWaalsContact SG-CG 3.58Å; K374-F376 HydrophobicContact CB-CE2 3.63Å; K374-F376 HydrophobicContact CB-CZ 3.81Å; K374-F376 VanDerWaalsContact O-CD2 3.28Å; K374-F376 WeakPolarHBondContact O-CD2 3.37Å; K374-F376 VanDerWaalsContact O-CE2 3.23Å; K374-F376 WeakPolarHBondContact O-CE2 3.48Å | ||
| 375 | S | 80.7 | Confident | 79.3 | Confident | 57 Ų | 57 | 88.5 Ų | 88.5 | 40% | 0.399 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 130.3 | 178.4 | 75.3 | 0 | 0 | 0 | 0 | 112 | G373 | G373-S375 PolarHBondContact O-N 2.98Å |
| 376 | F | 80.9 | Confident | 80.3 | Confident | 44 Ų | 44 | 81.1 Ų | 81.1 | 19% | 0.193 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 147 | 179.5 | -61.8 | -85 | 0 | 0 | 0 | 111.1 | R366 H367 C369 K374 H378 R381 L382 H385 | R366-F376 CarbonylContact C-O 3.54Å; R366-F376 WeakPolarHBondContact CA-O 3.46Å; H367-F376 PolarHBondContact N-O 3.41Å; H367-F376 WeakPolarHBondContact O-CB 3.29Å; H367-F376 WeakPolarHBondContact O-CD2 3.48Å; H367-F376 PolarHBondContact O-N 2.77Å; C369-F376 HydrophobicContact CB-CE2 4.29Å; K374-F376 HydrophobicContact CB-CE2 3.63Å; K374-F376 HydrophobicContact CB-CZ 3.81Å; K374-F376 VanDerWaalsContact O-CD2 3.28Å; K374-F376 WeakPolarHBondContact O-CD2 3.37Å; K374-F376 VanDerWaalsContact O-CE2 3.23Å; K374-F376 WeakPolarHBondContact O-CE2 3.48Å; F376-H378 VanDerWaalsContact C-N 3.29Å; F376-H378 PolarHBondContact O-N 3.29Å; F376-R381 HydrophobicContact CB-CB 4.17Å; F376-R381 HydrophobicContact CD1-CB 3.91Å; F376-R381 HydrophobicContact CG-CB 4.26Å; F376-L382 HydrophobicContact CB-CB 4.34Å; F376-L382 HydrophobicContact CD2-CB 4.01Å; F376-L382 HydrophobicContact CD2-CD1 3.89Å; F376-L382 HydrophobicContact CE2-CD1 4.17Å; F376-L382 HydrophobicContact CG-CB 4.39Å; F376-H385 HydrophobicContact CE1-CB 4.08Å; F376-H385 HydrophobicContact CE2-CB 3.83Å; F376-H385 AromaticContact CE2-CD2 3.25Å; F376-H385 WeakPolarHBondContact CE2-CD2 3.5Å; F376-H385 AromaticContact CE2-CG 3.61Å; F376-H385 HydrophobicContact CZ-CB 3.48Å; F376-H385 VanDerWaalsContact CZ-CB 3.48Å; F376-H385 AromaticContact CZ-CD2 3.34Å; F376-H385 WeakPolarHBondContact CZ-CD2 3.44Å; F376-H385 AromaticContact CZ-CG 3.24Å; F376-H385 AromaticContact CZ-ND1 3.92Å |
| 377 | S | 82.3 | Confident | 80.6 | Confident | 68 Ų | 68 | 78.6 Ų | 78.6 | 48% | 0.476 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -74.3 | -15.8 | 178.8 | 59.8 | 0 | 0 | 0 | 0 | 114.4 | R381 | S377-R381 PolarHBondContact OG-NH1 2.84Š|
| 378 | H | 82.3 | Confident | 80.1 | Confident | 111 Ų | 111 | 79.3 Ų | 79.3 | 51% | 0.514 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -143.5 | 143.2 | -179.5 | -71.6 | -79.3 | 0 | 0 | 0 | 111.4 | H367 F376 S380 R381 L382 | H367-H378 VanDerWaalsContact CD2-C 3.42Å; F376-H378 VanDerWaalsContact C-N 3.29Å; F376-H378 PolarHBondContact O-N 3.29Å; H378-S380 PolarHBondContact O-N 3.28Å; H378-R381 PolarHBondContact O-N 2.96Å; H378-L382 PolarHBondContact O-N 2.96Å |
| 379 | A | 79.1 | Confident | 79.6 | Confident | 45 Ų | 45 | 79.6 Ų | 79.6 | 37% | 0.372 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -54.5 | -37.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | H367 R381 L382 V383 | H367-A379 PolarHBondContact CD2-N 3.24Å; H367-A379 PolarHBondContact NE2-N 3.07Å; A379-R381 PolarHBondContact O-N 3.04Å; A379-L382 WeakPolarHBondContact O-CB 3.12Å; A379-L382 PolarHBondContact O-N 3.25Å; A379-L382 VanDerWaalsContact O-N 3.16Å; A379-V383 WeakPolarHBondContact O-CG2 3.1Å; A379-V383 PolarHBondContact O-N 3.27Å |
| 380 | S | 78.8 | Confident | 78.5 | Confident | 89 Ų | 89 | 83.2 Ų | 83.2 | 62% | 0.622 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -62.9 | -29.6 | 179.3 | 56 | 0 | 0 | 0 | 0 | 113.5 | H378 R384 | H378-S380 PolarHBondContact O-N 3.28Å; S380-R384 PolarHBondContact O-N 3.11Å |
| 381 | R | 78.8 | Confident | 77.5 | Confident | 124 Ų | 124 | 80.2 Ų | 80.2 | 47% | 0.468 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -79.5 | -36.5 | 175.3 | -69.5 | -174.6 | 177.4 | 154.6 | -3.3 | 111.9 | F376 S377 H378 A379 H385 | F376-R381 HydrophobicContact CB-CB 4.17Å; F376-R381 HydrophobicContact CD1-CB 3.91Å; F376-R381 HydrophobicContact CG-CB 4.26Å; S377-R381 PolarHBondContact OG-NH1 2.84Å; H378-R381 PolarHBondContact O-N 2.96Å; A379-R381 PolarHBondContact O-N 3.04Å; R381-H385 VanDerWaalsContact O-CB 3.32Å; R381-H385 WeakPolarHBondContact O-CB 3.15Å; R381-H385 PolarHBondContact O-N 3.49Å |
| 382 | L | 84.7 | Confident | 75.9 | Confident | 18 Ų | 18 | 77 Ų | 77 | 9% | 0.094 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -61.3 | -49.9 | 173.4 | 170.8 | 61.4 | 0 | 0 | 0 | 111.1 | H367 T368 C369 F376 H378 A379 R384 H385 Q386 | H367-L382 HydrophobicContact CB-CB 3.88Å; H367-L382 HydrophobicContact CB-CD2 3.69Å; H367-L382 HydrophobicContact CB-CG 4.38Å; T368-L382 VanDerWaalsContact C-CD1 3.5Å; T368-L382 WeakPolarHBondContact O-CD1 3.24Å; T368-L382 WeakPolarHBondContact O-CD2 3.43Å; C369-L382 HydrophobicContact CB-CD1 3.49Å; C369-L382 VanDerWaalsContact CB-CD1 3.49Å; F376-L382 HydrophobicContact CB-CB 4.34Å; F376-L382 HydrophobicContact CD2-CB 4.01Å; F376-L382 HydrophobicContact CD2-CD1 3.89Å; F376-L382 HydrophobicContact CE2-CD1 4.17Å; F376-L382 HydrophobicContact CG-CB 4.39Å; H378-L382 PolarHBondContact O-N 2.96Å; A379-L382 WeakPolarHBondContact O-CB 3.12Å; A379-L382 PolarHBondContact O-N 3.25Å; A379-L382 VanDerWaalsContact O-N 3.16Å; L382-R384 VanDerWaalsContact C-N 3.32Å; L382-R384 PolarHBondContact O-N 3.19Å; L382-H385 CarbonylContact O-C 3.54Å; L382-H385 WeakPolarHBondContact O-CA 3.38Å; L382-H385 WeakPolarHBondContact O-CB 3.48Å; L382-H385 PolarHBondContact O-N 3.28Å; L382-Q386 HydrophobicContact CD1-CG 4.05Å; L382-Q386 HydrophobicContact CG-CG 4.48Å; L382-Q386 PolarHBondContact O-N 3.05Å |
| 383 | V | 80.9 | Confident | 74.3 | Confident | 75 Ų | 75 | 81.1 Ų | 81.1 | 46% | 0.455 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.1 | -43.6 | -179.8 | 171.5 | 0 | 0 | 0 | 0 | 111.3 | A379 H385 Q386 Q387 | A379-V383 WeakPolarHBondContact O-CG2 3.1Å; A379-V383 PolarHBondContact O-N 3.27Å; V383-H385 VanDerWaalsContact C-N 3.29Å; V383-H385 PolarHBondContact O-N 3.07Å; V383-Q386 PolarHBondContact O-N 3.36Å; V383-Q387 WeakPolarHBondContact O-CG 3.26Å; V383-Q387 PolarHBondContact O-N 3.23Å |
| 384 | R | 79.1 | Confident | 73.1 | Confident | 161 Ų | 161 | 81.7 Ų | 81.7 | 61% | 0.608 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65 | -34.1 | 175.4 | -174.2 | 175.5 | 62.5 | 179.5 | 2.6 | 112.6 | S380 L382 | S380-R384 PolarHBondContact O-N 3.11Å; L382-R384 VanDerWaalsContact C-N 3.32Å; L382-R384 PolarHBondContact O-N 3.19Å |
| 385 | H | 81.1 | Confident | 70.9 | Confident | 24 Ų | 24 | 85.4 Ų | 85.4 | 11% | 0.111 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -74.2 | -36.6 | 176.8 | 172.1 | 60.5 | 0 | 0 | 0 | 112.2 | C369 C372 F376 R381 L382 V383 Q387 T388 H389 | C369-H385 VanDerWaalsContact SG-CD2 3.56Å; C372-H385 PolarHBondContact SG-NE2 2.94Å; F376-H385 HydrophobicContact CE1-CB 4.08Å; F376-H385 HydrophobicContact CE2-CB 3.83Å; F376-H385 AromaticContact CE2-CD2 3.25Å; F376-H385 WeakPolarHBondContact CE2-CD2 3.5Å; F376-H385 AromaticContact CE2-CG 3.61Å; F376-H385 HydrophobicContact CZ-CB 3.48Å; F376-H385 VanDerWaalsContact CZ-CB 3.48Å; F376-H385 AromaticContact CZ-CD2 3.34Å; F376-H385 WeakPolarHBondContact CZ-CD2 3.44Å; F376-H385 AromaticContact CZ-CG 3.24Å; F376-H385 AromaticContact CZ-ND1 3.92Å; R381-H385 VanDerWaalsContact O-CB 3.32Å; R381-H385 WeakPolarHBondContact O-CB 3.15Å; R381-H385 PolarHBondContact O-N 3.49Å; L382-H385 CarbonylContact O-C 3.54Å; L382-H385 WeakPolarHBondContact O-CA 3.38Å; L382-H385 WeakPolarHBondContact O-CB 3.48Å; L382-H385 PolarHBondContact O-N 3.28Å; V383-H385 VanDerWaalsContact C-N 3.29Å; V383-H385 PolarHBondContact O-N 3.07Å; H385-Q387 PolarHBondContact O-N 2.89Å; H385-T388 PolarHBondContact ND1-OG1 2.86Å; H385-T388 WeakPolarHBondContact O-CB 3.3Å; H385-T388 PolarHBondContact O-N 3.45Å; H385-T388 PolarHBondContact O-OG1 3.08Å; H385-H389 AromaticContact CE1-NE2 3.59Å; H385-H389 AromaticContact NE2-NE2 3.29Å; H385-H389 PolarHBondContact NE2-NE2 3.31Å |
| 386 | Q | 80.2 | Confident | 69.3 | Low | 69 Ų | 69 | 88.7 Ų | 88.7 | 32% | 0.322 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.4 | -35.4 | 172.6 | -75.3 | 169.7 | -27.8 | 0 | 0 | 111.9 | L382 V383 T388 H389 | L382-Q386 HydrophobicContact CD1-CG 4.05Å; L382-Q386 HydrophobicContact CG-CG 4.48Å; L382-Q386 PolarHBondContact O-N 3.05Å; V383-Q386 PolarHBondContact O-N 3.36Å; Q386-T388 PolarHBondContact O-N 2.97Å; Q386-H389 PolarHBondContact O-N 3.26Å; Q386-H389 VanDerWaalsContact O-N 3.17Å |
| 387 | Q | 78.3 | Confident | 67.2 | Low | 134 Ų | 134 | 93.1 Ų | 93.1 | 63% | 0.626 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -65 | -19.5 | 173.6 | -68.4 | 170.2 | 9 | 0 | 0 | 113.8 | V383 H385 G390 | V383-Q387 WeakPolarHBondContact O-CG 3.26Å; V383-Q387 PolarHBondContact O-N 3.23Å; H385-Q387 PolarHBondContact O-N 2.89Å; Q387-G390 PolarHBondContact O-N 3.19Å |
| 388 | T | 71.6 | Confident | 65.2 | Low | 81 Ų | 81 | 97.7 Ų | 97.7 | 50% | 0.497 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -76.9 | -22.8 | 175.5 | 63.3 | 0 | 0 | 0 | 0 | 113.1 | H385 Q386 G390 A391 | H385-T388 PolarHBondContact ND1-OG1 2.86Å; H385-T388 WeakPolarHBondContact O-CB 3.3Å; H385-T388 PolarHBondContact O-N 3.45Å; H385-T388 PolarHBondContact O-OG1 3.08Å; Q386-T388 PolarHBondContact O-N 2.97Å; T388-G390 VanDerWaalsContact C-N 3.31Å; T388-A391 PolarHBondContact O-N 3.13Å |
| 389 | H | 73.6 | Confident | 63.2 | Low | 78 Ų | 78 | 99 Ų | 99 | 36% | 0.361 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -73.4 | -25 | 172.7 | -64.7 | -62.3 | 0 | 0 | 0 | 112.4 | L371 C372 H385 Q386 A391 | L371-H389 HydrophobicContact CD1-CB 3.75Å; C372-H389 PolarHBondContact SG-NE2 3.28Å; C372-H389 VanDerWaalsContact SG-NE2 3.43Å; H385-H389 AromaticContact CE1-NE2 3.59Å; H385-H389 AromaticContact NE2-NE2 3.29Å; H385-H389 PolarHBondContact NE2-NE2 3.31Å; Q386-H389 PolarHBondContact O-N 3.26Å; Q386-H389 VanDerWaalsContact O-N 3.17Å; H389-A391 VanDerWaalsContact C-N 3.3Å; H389-A391 PolarHBondContact O-N 3.3Å |
| 390 | G | 62 | Low | 60.9 | Low | 76 Ų | 76 | 106.6 Ų | 106.6 | 78% | 0.784 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | -2.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q387 T388 | Q387-G390 PolarHBondContact O-N 3.19Å; T388-G390 VanDerWaalsContact C-N 3.31Å |
| 391 | A | 57.1 | Low | 59.3 | Low | 74 Ų | 74 | 108.4 Ų | 108.4 | 61% | 0.612 | 63% | 0.625 | S | S | * | * | trans | -122.3 | 62.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | T388 H389 | T388-A391 PolarHBondContact O-N 3.13Å; H389-A391 VanDerWaalsContact C-N 3.3Å; H389-A391 PolarHBondContact O-N 3.3Å | ||
| 392 | G | 41.4 | Very low | 57.6 | Low | 61 Ų | 61 | 106 Ų | 106 | 63% | 0.629 | 64% | 0.638 | S | S | * | * | trans | -75.2 | 150.7 | 164.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 393 | P | 49.2 | Very low | 55.2 | Low | 138 Ų | 138 | 113.2 Ų | 113.2 | 90% | 0.896 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -80.8 | 123.9 | -174.8 | 32.5 | -30.7 | 0 | 0 | 0 | 110.7 | ||
| 394 | G | 51.1 | Low | 53 | Low | 71 Ų | 71 | 114.7 Ų | 114.7 | 73% | 0.732 | 70% | 0.696 | S | S | * | * | S | Bend | trans | 95.5 | 83 | 163.1 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 395 | K | 35.5 | Very low | 51.1 | Low | 196 Ų | 196 | 113 Ų | 113 | 85% | 0.852 | 70% | 0.703 | S | S | * | * | trans | -179.4 | 146.2 | 134 | -98 | 168.4 | -173.1 | -172.3 | 0 | 109.5 | V397 | K395-V397 PolarHBondContact O-N 3.27Š| ||
| 396 | P | 47 | Very low | 49.3 | Very low | 126 Ų | 126 | 116.5 Ų | 116.5 | 82% | 0.818 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 122.8 | -177.3 | 32.3 | -29.8 | 0 | 0 | 0 | 109 | ||
| 397 | V | 38.1 | Very low | 47.7 | Very low | 137 Ų | 137 | 122.1 Ų | 122.1 | 83% | 0.83 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -97.2 | 116.2 | 176.7 | 177.2 | 0 | 0 | 0 | 0 | 109.4 | K395 T399 | K395-V397 PolarHBondContact O-N 3.27Å; V397-T399 PolarHBondContact O-N 3.37Å |
| 398 | L | 39 | Very low | 47 | Very low | 164 Ų | 164 | 120.3 Ų | 120.3 | 86% | 0.859 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -48.3 | 123.3 | 166.7 | -80.5 | 138.8 | 0 | 0 | 0 | 111.5 | ||
| 399 | T | 40.8 | Very low | 47.1 | Very low | 138 Ų | 138 | 123.8 Ų | 123.8 | 85% | 0.847 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 121.4 | 166.9 | 47.2 | 0 | 0 | 0 | 0 | 109.9 | V397 | V397-T399 PolarHBondContact O-N 3.37Š|
| 400 | K | 31.4 | Very low | 47.4 | Very low | 204 Ų | 204 | 124.5 Ų | 124.5 | 89% | 0.887 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -99.3 | 145.9 | 155.7 | -92.6 | -174.5 | 178 | 177.9 | 0 | 110.2 | ||
| 401 | P | 44.7 | Very low | 48.5 | Very low | 128 Ų | 128 | 124.8 Ų | 124.8 | 83% | 0.831 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 150.4 | -153.9 | 36.5 | -31.6 | 0 | 0 | 0 | 112.3 | ||
| 402 | G | 41.9 | Very low | 49.8 | Very low | 72 Ų | 72 | 124.8 Ų | 124.8 | 74% | 0.742 | 75% | 0.751 | S | S | * | * | trans | 140.5 | 51 | 163.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 403 | L | 36 | Very low | 51.9 | Low | 170 Ų | 170 | 122.1 Ų | 122.1 | 89% | 0.89 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -169.4 | 134 | 142.3 | -137.8 | 59.8 | 0 | 0 | 0 | 109.4 | T405 | L403-T405 PolarHBondContact O-N 3.42Š|
| 404 | A | 33.9 | Very low | 53.4 | Low | 107 Ų | 107 | 120.2 Ų | 120.2 | 88% | 0.884 | 72% | 0.718 | S | S | * | * | trans | -50.3 | 116.9 | -166.9 | 0 | 0 | 0 | 0 | 0 | 114 | A406 | A404-A406 PolarHBondContact O-N 3.26Š| ||
| 405 | T | 38.7 | Very low | 54.6 | Low | 124 Ų | 124 | 120.5 Ų | 120.5 | 76% | 0.761 | 71% | 0.714 | S | S | * | * | trans | -68.7 | 115 | -174.7 | 50.5 | 0 | 0 | 0 | 0 | 112.8 | L403 K407 | L403-T405 PolarHBondContact O-N 3.42Å; T405-K407 PolarHBondContact O-N 3.39Å | ||
| 406 | A | 43.8 | Very low | 56.9 | Low | 98 Ų | 98 | 113.1 Ų | 113.1 | 81% | 0.81 | 69% | 0.686 | S | S | * | * | trans | -70.7 | 109.3 | 153.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | A404 S408 | A404-A406 PolarHBondContact O-N 3.26Å; A406-S408 PolarHBondContact O-N 3.49Å | ||
| 407 | K | 47.7 | Very low | 58.6 | Low | 188 Ų | 188 | 112.9 Ų | 112.9 | 82% | 0.817 | 68% | 0.678 | S | S | * | * | trans | -52.3 | 102.9 | 180 | -63.9 | 174.5 | -178.8 | 178.3 | 0 | 110.2 | T405 K409 | T405-K407 PolarHBondContact O-N 3.39Å; K407-K409 PolarHBondContact O-N 3.31Å | ||
| 408 | S | 62.1 | Low | 60.8 | Low | 95 Ų | 95 | 112.3 Ų | 112.3 | 66% | 0.664 | 66% | 0.664 | S | S | * | * | trans | -69.8 | 93.3 | 171.9 | 42.9 | 0 | 0 | 0 | 0 | 108.3 | A406 T410 | A406-S408 PolarHBondContact O-N 3.49Å; S408-T410 PolarHBondContact O-N 3.21Å | ||
| 409 | K | 73.3 | Confident | 62.9 | Low | 155 Ų | 155 | 109.3 Ų | 109.3 | 67% | 0.674 | 65% | 0.653 | S | S | * | * | trans | -62.8 | 108.9 | 175.3 | -72.9 | 175.1 | 179 | 176.8 | 0 | 108.6 | K407 Y411 | K407-K409 PolarHBondContact O-N 3.31Å; K409-Y411 HydrophobicContact CB-CE2 4.4Å; K409-Y411 WeakPolarHBondContact O-CD2 3.48Å; K409-Y411 WeakPolarHBondContact O-CE2 3.25Å | ||
| 410 | T | 81.7 | Confident | 64.9 | Low | 93 Ų | 93 | 104.9 Ų | 104.9 | 57% | 0.571 | 62% | 0.622 | S | S | * | * | trans | -82.6 | 142.7 | 169.4 | 49.8 | 0 | 0 | 0 | 0 | 109.4 | S408 | S408-T410 PolarHBondContact O-N 3.21Š| ||
| 411 | Y | 83.7 | Confident | 67.5 | Low | 81 Ų | 81 | 101.6 Ų | 101.6 | 32% | 0.318 | 61% | 0.612 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.2 | 116.4 | -176.7 | -63 | -91.6 | 0 | 0 | 0 | 109.2 | K409 T419 F420 F426 | K409-Y411 HydrophobicContact CB-CE2 4.4Å; K409-Y411 WeakPolarHBondContact O-CD2 3.48Å; K409-Y411 WeakPolarHBondContact O-CE2 3.25Å; Y411-T419 CarbonylContact O-C 3.59Å; Y411-F420 PolarHBondContact N-O 2.72Å; Y411-F420 PolarHBondContact O-N 3.41Å; Y411-F426 HydrophobicContact CD1-CD1 4.13Å; Y411-F426 HydrophobicContact CD1-CG 4.44Å; Y411-F426 HydrophobicContact CG-CB 4.17Å; Y411-F426 HydrophobicContact CG-CD1 4.38Å; Y411-F426 HydrophobicContact CG-CG 4.23Å |
| 412 | V | 85.9 | Confident | 69.3 | Low | 74 Ų | 74 | 101.1 Ų | 101.1 | 45% | 0.448 | 60% | 0.598 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.5 | 130.8 | -177.2 | -172 | 0 | 0 | 0 | 0 | 110.2 | A414 T419 F426 | V412-A414 PolarHBondContact O-N 3.08Å; V412-T419 HydrophobicContact CB-CG2 4.5Å; V412-T419 HydrophobicContact CG1-CG2 4.24Å; V412-T419 HydrophobicContact CG2-CG2 3.75Å; V412-F426 VanDerWaalsContact O-CE2 3.3Å; V412-F426 WeakPolarHBondContact O-CE2 3.36Å |
| 413 | C | 85.3 | Confident | 71.2 | Confident | 5 Ų | 5 | 100.6 Ų | 100.6 | 3% | 0.034 | 58% | 0.583 | C | S | . | * | trans | -80.9 | 114 | 176.4 | -175.4 | 0 | 0 | 0 | 0 | 110.7 | A415 C416 N417 K418 F420 F426 H429 | C413-A415 PolarHBondContact O-N 3.41Å; C413-C416 PolarHBondContact O-N 2.58Å; C413-N417 WeakPolarHBondContact O-CA 3.42Å; C413-N417 PolarHBondContact O-N 3.25Å; C413-K418 PolarHBondContact N-O 2.98Å; C413-F420 HydrophobicContact CB-CE2 4.41Å; C413-F426 HydrophobicContact CB-CE2 4.07Å; C413-H429 WeakPolarHBondContact CB-NE2 3.38Å; C413-H429 PolarHBondContact SG-NE2 3.04Å | ||
| 414 | A | 80.6 | Confident | 73.3 | Confident | 98 Ų | 98 | 96.4 Ų | 96.4 | 81% | 0.81 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | -23.1 | 180 | 0 | 0 | 0 | 0 | 0 | 114.1 | V412 | V412-A414 PolarHBondContact O-N 3.08Š|
| 415 | A | 76.3 | Confident | 75.8 | Confident | 77 Ų | 77 | 93.8 Ų | 93.8 | 64% | 0.636 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -23.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114 | C413 | C413-A415 PolarHBondContact O-N 3.41Š|
| 416 | C | 83.6 | Confident | 78.1 | Confident | 41 Ų | 41 | 89.8 Ų | 89.8 | 28% | 0.277 | 52% | 0.515 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -144.3 | 9.7 | -177.5 | 69.9 | 0 | 0 | 0 | 0 | 114.2 | C413 K418 H429 H433 | C413-C416 PolarHBondContact O-N 2.58Å; C416-K418 PolarHBondContact O-N 3.25Å; C416-H429 PolarHBondContact SG-CE1 3.3Å; C416-H429 PolarHBondContact SG-NE2 3.1Å; C416-H433 PolarHBondContact SG-NE2 3.35Å |
| 417 | N | 81.8 | Confident | 80.1 | Confident | 122 Ų | 122 | 88.6 Ų | 88.6 | 65% | 0.652 | 50% | 0.501 | S | S | * | . | trans | 52.3 | 19.2 | 179.9 | -65.3 | -32.6 | 0 | 0 | 0 | 116.2 | C413 | C413-N417 WeakPolarHBondContact O-CA 3.42Å; C413-N417 PolarHBondContact O-N 3.25Å | ||
| 418 | K | 84.1 | Confident | 81.8 | Confident | 124 Ų | 124 | 87.7 Ų | 87.7 | 54% | 0.539 | 49% | 0.493 | S | S | . | . | trans | -73.4 | 131.7 | 175.4 | -68.2 | -180 | -172.7 | -177.2 | 0 | 110.9 | C413 C416 F420 | C413-K418 PolarHBondContact N-O 2.98Å; C416-K418 PolarHBondContact O-N 3.25Å; K418-F420 HydrophobicContact CB-CE2 3.62Å; K418-F420 HydrophobicContact CB-CZ 3.95Å; K418-F420 WeakPolarHBondContact O-CD2 3.36Å; K418-F420 WeakPolarHBondContact O-CE2 3.41Å | ||
| 419 | T | 83.2 | Confident | 82.9 | Confident | 101 Ų | 101 | 84.8 Ų | 84.8 | 62% | 0.62 | 47% | 0.468 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 130.6 | 179.7 | 61.7 | 0 | 0 | 0 | 0 | 111.5 | Y411 V412 | Y411-T419 CarbonylContact O-C 3.59Å; V412-T419 HydrophobicContact CB-CG2 4.5Å; V412-T419 HydrophobicContact CG1-CG2 4.24Å; V412-T419 HydrophobicContact CG2-CG2 3.75Å |
| 420 | F | 83.4 | Confident | 83.5 | Confident | 45 Ų | 45 | 82.9 Ų | 82.9 | 20% | 0.197 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 136.4 | -179.4 | -62.7 | -90.9 | 0 | 0 | 0 | 110.2 | Y411 C413 K418 H422 F426 H429 | Y411-F420 PolarHBondContact N-O 2.72Å; Y411-F420 PolarHBondContact O-N 3.41Å; C413-F420 HydrophobicContact CB-CE2 4.41Å; K418-F420 HydrophobicContact CB-CE2 3.62Å; K418-F420 HydrophobicContact CB-CZ 3.95Å; K418-F420 WeakPolarHBondContact O-CD2 3.36Å; K418-F420 WeakPolarHBondContact O-CE2 3.41Å; F420-H422 VanDerWaalsContact C-N 3.33Å; F420-F426 HydrophobicContact CB-CB 4.06Å; F420-F426 HydrophobicContact CD2-CB 4.42Å; F420-F426 AromaticContact CD2-CD2 3.96Å; F420-F426 HydrophobicContact CD2-CD2 3.96Å; F420-F426 HydrophobicContact CG-CB 4.33Å; F420-H429 HydrophobicContact CE1-CB 4.01Å; F420-H429 HydrophobicContact CE2-CB 4.02Å; F420-H429 AromaticContact CE2-CD2 3.21Å; F420-H429 WeakPolarHBondContact CE2-CD2 3.16Å; F420-H429 AromaticContact CE2-CG 3.57Å; F420-H429 AromaticContact CE2-NE2 3.72Å; F420-H429 HydrophobicContact CZ-CB 3.57Å; F420-H429 AromaticContact CZ-CD2 3.39Å; F420-H429 WeakPolarHBondContact CZ-CD2 3.31Å; F420-H429 AromaticContact CZ-CE1 4Å; F420-H429 AromaticContact CZ-CG 3.22Å; F420-H429 AromaticContact CZ-ND1 3.64Å; F420-H429 AromaticContact CZ-NE2 3.85Å |
| 421 | M | 85.3 | Confident | 83.7 | Confident | 136 Ų | 136 | 84.8 Ų | 84.8 | 67% | 0.67 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -78.3 | -18.1 | 177.1 | -64.7 | -166.1 | 75.6 | 0 | 0 | 113.4 | ||
| 422 | H | 82.6 | Confident | 83.6 | Confident | 117 Ų | 117 | 83.3 Ų | 83.3 | 54% | 0.542 | 47% | 0.465 | S | S | . | . | S | Bend | trans | -125.7 | 137.1 | -175 | -55.3 | 104.8 | 0 | 0 | 0 | 111.6 | F420 S424 S425 F426 | F420-H422 VanDerWaalsContact C-N 3.33Å; H422-S424 VanDerWaalsContact C-N 3.27Å; H422-S424 PolarHBondContact O-N 3.21Å; H422-S425 PolarHBondContact O-N 3.27Å; H422-F426 PolarHBondContact O-N 3.38Å |
| 423 | S | 81.9 | Confident | 83.4 | Confident | 62 Ų | 62 | 82.9 Ų | 82.9 | 43% | 0.434 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.6 | -32.1 | 178.3 | 59.3 | 0 | 0 | 0 | 0 | 113.2 | F426 S427 | S423-F426 PolarHBondContact O-N 3.34Å; S423-S427 WeakPolarHBondContact O-CB 3.43Å; S423-S427 PolarHBondContact O-N 3.29Å; S423-S427 PolarHBondContact O-OG 3.06Å; S423-S427 VanDerWaalsContact O-OG 3.08Å |
| 424 | S | 81 | Confident | 83 | Confident | 82 Ų | 82 | 88 Ų | 88 | 57% | 0.573 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -68.8 | -40.7 | 177.5 | 52.1 | 0 | 0 | 0 | 0 | 112.7 | H422 R428 | H422-S424 VanDerWaalsContact C-N 3.27Å; H422-S424 PolarHBondContact O-N 3.21Å; S424-R428 WeakPolarHBondContact O-CB 3.5Å; S424-R428 PolarHBondContact O-N 3.29Å; S424-R428 VanDerWaalsContact O-N 3.13Å |
| 425 | S | 84.8 | Confident | 82.8 | Confident | 52 Ų | 52 | 88.7 Ų | 88.7 | 36% | 0.364 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -67.2 | -42.5 | 174.4 | -57.7 | 0 | 0 | 0 | 0 | 111.1 | H422 R428 H429 | H422-S425 PolarHBondContact O-N 3.27Å; S425-R428 PolarHBondContact O-N 3.38Å; S425-H429 WeakPolarHBondContact O-CB 3.44Å; S425-H429 PolarHBondContact O-N 2.95Å |
| 426 | F | 88.6 | Confident | 82.6 | Confident | 39 Ų | 39 | 87.5 Ų | 87.5 | 17% | 0.171 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -60.8 | -47.8 | 174.9 | 176.7 | -109.5 | 0 | 0 | 0 | 112.6 | Y411 V412 C413 F420 H422 S423 R428 H429 K430 | Y411-F426 HydrophobicContact CD1-CD1 4.13Å; Y411-F426 HydrophobicContact CD1-CG 4.44Å; Y411-F426 HydrophobicContact CG-CB 4.17Å; Y411-F426 HydrophobicContact CG-CD1 4.38Å; Y411-F426 HydrophobicContact CG-CG 4.23Å; V412-F426 VanDerWaalsContact O-CE2 3.3Å; V412-F426 WeakPolarHBondContact O-CE2 3.36Å; C413-F426 HydrophobicContact CB-CE2 4.07Å; F420-F426 HydrophobicContact CB-CB 4.06Å; F420-F426 HydrophobicContact CD2-CB 4.42Å; F420-F426 AromaticContact CD2-CD2 3.96Å; F420-F426 HydrophobicContact CD2-CD2 3.96Å; F420-F426 HydrophobicContact CG-CB 4.33Å; H422-F426 PolarHBondContact O-N 3.38Å; S423-F426 PolarHBondContact O-N 3.34Å; F426-R428 VanDerWaalsContact C-N 3.34Å; F426-R428 PolarHBondContact O-N 3.46Å; F426-H429 PolarHBondContact O-N 3.04Å; F426-K430 HydrophobicContact CE1-CD 4.43Å; F426-K430 HydrophobicContact CZ-CD 4.49Å; F426-K430 WeakPolarHBondContact O-CB 3.17Å; F426-K430 PolarHBondContact O-N 3.13Å |
| 427 | S | 84.2 | Confident | 81.8 | Confident | 73 Ų | 73 | 88 Ų | 88 | 51% | 0.51 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.9 | -38.3 | 179.4 | -69.3 | 0 | 0 | 0 | 0 | 112.6 | S423 K431 | S423-S427 WeakPolarHBondContact O-CB 3.43Å; S423-S427 PolarHBondContact O-N 3.29Å; S423-S427 PolarHBondContact O-OG 3.06Å; S423-S427 VanDerWaalsContact O-OG 3.08Å; S427-K431 WeakPolarHBondContact O-CB 3.48Å; S427-K431 PolarHBondContact O-N 3.2Å |
| 428 | R | 85 | Confident | 81.1 | Confident | 170 Ų | 170 | 89 Ų | 89 | 64% | 0.642 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -65.6 | -42.8 | 175.6 | -166.2 | 178.6 | -67.1 | -146 | -6.7 | 111.2 | E313 S424 S425 F426 K431 A432 | E313-R428 IonicContact OE1-CZ 3.57Å; E313-R428 IonicContact OE1-NH1 2.74Å; E313-R428 PolarHBondContact OE1-NH1 3.21Å; E313-R428 IonicContact OE1-NH2 3.66Å; S424-R428 WeakPolarHBondContact O-CB 3.5Å; S424-R428 PolarHBondContact O-N 3.29Å; S424-R428 VanDerWaalsContact O-N 3.13Å; S425-R428 PolarHBondContact O-N 3.38Å; F426-R428 VanDerWaalsContact C-N 3.34Å; F426-R428 PolarHBondContact O-N 3.46Å; R428-K431 PolarHBondContact O-N 3.38Å; R428-A432 PolarHBondContact O-N 3.14Å; R428-A432 VanDerWaalsContact O-N 3.16Å |
| 429 | H | 85.1 | Confident | 80.2 | Confident | 33 Ų | 33 | 89.1 Ų | 89.1 | 15% | 0.153 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -66.8 | -41.7 | 177 | 172.7 | 72.8 | 0 | 0 | 0 | 112.9 | C413 C416 F420 S425 F426 K431 A432 H433 | C413-H429 WeakPolarHBondContact CB-NE2 3.38Å; C413-H429 PolarHBondContact SG-NE2 3.04Å; C416-H429 PolarHBondContact SG-CE1 3.3Å; C416-H429 PolarHBondContact SG-NE2 3.1Å; F420-H429 HydrophobicContact CE1-CB 4.01Å; F420-H429 HydrophobicContact CE2-CB 4.02Å; F420-H429 AromaticContact CE2-CD2 3.21Å; F420-H429 WeakPolarHBondContact CE2-CD2 3.16Å; F420-H429 AromaticContact CE2-CG 3.57Å; F420-H429 AromaticContact CE2-NE2 3.72Å; F420-H429 HydrophobicContact CZ-CB 3.57Å; F420-H429 AromaticContact CZ-CD2 3.39Å; F420-H429 WeakPolarHBondContact CZ-CD2 3.31Å; F420-H429 AromaticContact CZ-CE1 4Å; F420-H429 AromaticContact CZ-CG 3.22Å; F420-H429 AromaticContact CZ-ND1 3.64Å; F420-H429 AromaticContact CZ-NE2 3.85Å; S425-H429 WeakPolarHBondContact O-CB 3.44Å; S425-H429 PolarHBondContact O-N 2.95Å; F426-H429 PolarHBondContact O-N 3.04Å; H429-K431 VanDerWaalsContact C-N 3.32Å; H429-K431 PolarHBondContact O-N 2.76Å; H429-A432 WeakPolarHBondContact O-CB 3.36Å; H429-A432 PolarHBondContact O-N 3.16Å; H429-H433 AromaticContact CE1-CD2 3.54Å; H429-H433 AromaticContact CE1-NE2 3.11Å; H429-H433 PolarHBondContact CE1-NE2 3.07Å; H429-H433 AromaticContact NE2-CD2 3.47Å; H429-H433 PolarHBondContact NE2-CD2 3.06Å; H429-H433 AromaticContact NE2-NE2 3.25Å; H429-H433 PolarHBondContact NE2-NE2 2.86Å; H429-H433 PolarHBondContact O-CD2 3.34Å; H429-H433 PolarHBondContact O-N 3.28Å |
| 430 | K | 86.2 | Confident | 79.3 | Confident | 116 Ų | 116 | 91.1 Ų | 91.1 | 50% | 0.504 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.7 | -39.5 | 174.2 | -173.4 | 178.6 | 179.9 | -178.5 | 0 | 111.7 | F426 A432 H433 L434 | F426-K430 HydrophobicContact CE1-CD 4.43Å; F426-K430 HydrophobicContact CZ-CD 4.49Å; F426-K430 WeakPolarHBondContact O-CB 3.17Å; F426-K430 PolarHBondContact O-N 3.13Å; K430-A432 VanDerWaalsContact C-N 3.34Å; K430-A432 PolarHBondContact O-N 2.99Å; K430-H433 PolarHBondContact O-N 3.24Å; K430-L434 PolarHBondContact O-N 3.32Å |
| 431 | K | 85.4 | Confident | 78.2 | Confident | 132 Ų | 132 | 91.8 Ų | 91.8 | 57% | 0.574 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.7 | -37.2 | 176.9 | -168.7 | 173.4 | -178.8 | 177.3 | 0 | 112.3 | S427 R428 H429 H433 L434 Q435 | S427-K431 WeakPolarHBondContact O-CB 3.48Å; S427-K431 PolarHBondContact O-N 3.2Å; R428-K431 PolarHBondContact O-N 3.38Å; H429-K431 VanDerWaalsContact C-N 3.32Å; H429-K431 PolarHBondContact O-N 2.76Å; K431-H433 VanDerWaalsContact C-N 3.34Å; K431-H433 PolarHBondContact O-N 3.44Å; K431-L434 PolarHBondContact O-N 3.25Å; K431-Q435 WeakPolarHBondContact O-CG 3.42Å; K431-Q435 PolarHBondContact O-N 3.16Å |
| 432 | A | 82.2 | Confident | 77 | Confident | 51 Ų | 51 | 87.1 Ų | 87.1 | 42% | 0.421 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63 | -38.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | R428 H429 K430 Q435 A436 | R428-A432 PolarHBondContact O-N 3.14Å; R428-A432 VanDerWaalsContact O-N 3.16Å; H429-A432 WeakPolarHBondContact O-CB 3.36Å; H429-A432 PolarHBondContact O-N 3.16Å; K430-A432 VanDerWaalsContact C-N 3.34Å; K430-A432 PolarHBondContact O-N 2.99Å; A432-Q435 PolarHBondContact O-N 3.14Å; A432-A436 WeakPolarHBondContact O-CB 3.49Å; A432-A436 PolarHBondContact O-N 3.36Å |
| 433 | H | 81.4 | Confident | 75.9 | Confident | 64 Ų | 64 | 84.7 Ų | 84.7 | 30% | 0.296 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.1 | -41.1 | 174.3 | -81.6 | -70.6 | 0 | 0 | 0 | 112.9 | C416 H429 K430 K431 Q435 A436 A437 | C416-H433 PolarHBondContact SG-NE2 3.35Å; H429-H433 AromaticContact CE1-CD2 3.54Å; H429-H433 AromaticContact CE1-NE2 3.11Å; H429-H433 PolarHBondContact CE1-NE2 3.07Å; H429-H433 AromaticContact NE2-CD2 3.47Å; H429-H433 PolarHBondContact NE2-CD2 3.06Å; H429-H433 AromaticContact NE2-NE2 3.25Å; H429-H433 PolarHBondContact NE2-NE2 2.86Å; H429-H433 PolarHBondContact O-CD2 3.34Å; H429-H433 PolarHBondContact O-N 3.28Å; K430-H433 PolarHBondContact O-N 3.24Å; K431-H433 VanDerWaalsContact C-N 3.34Å; K431-H433 PolarHBondContact O-N 3.44Å; H433-Q435 VanDerWaalsContact C-N 3.33Å; H433-Q435 PolarHBondContact O-N 3.49Å; H433-A436 PolarHBondContact O-N 3.07Å; H433-A437 WeakPolarHBondContact O-CB 3.15Å; H433-A437 PolarHBondContact O-N 2.87Å |
| 434 | L | 76.9 | Confident | 74.7 | Confident | 114 Ų | 114 | 88.3 Ų | 88.3 | 60% | 0.597 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -65.9 | -36.7 | 177.2 | -67.1 | 173.7 | 0 | 0 | 0 | 112 | K430 K431 A437 H438 | K430-L434 PolarHBondContact O-N 3.32Å; K431-L434 PolarHBondContact O-N 3.25Å; L434-A437 PolarHBondContact O-N 3.3Å; L434-H438 WeakPolarHBondContact O-CB 3.46Å; L434-H438 PolarHBondContact O-N 2.78Å |
| 435 | Q | 75.1 | Confident | 73.6 | Confident | 112 Ų | 112 | 89 Ų | 89 | 52% | 0.523 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.4 | -41.3 | 175.4 | -73 | 175.2 | -37.7 | 0 | 0 | 112 | K431 A432 H433 H438 L439 | K431-Q435 WeakPolarHBondContact O-CG 3.42Å; K431-Q435 PolarHBondContact O-N 3.16Å; A432-Q435 PolarHBondContact O-N 3.14Å; H433-Q435 VanDerWaalsContact C-N 3.33Å; H433-Q435 PolarHBondContact O-N 3.49Å; Q435-H438 PolarHBondContact O-N 3.05Å; Q435-L439 WeakPolarHBondContact O-CG 3.19Å; Q435-L439 PolarHBondContact O-N 3.5Å |
| 436 | A | 72.3 | Confident | 72.2 | Confident | 52 Ų | 52 | 96.9 Ų | 96.9 | 43% | 0.43 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.1 | -40 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A432 H433 L439 Q440 | A432-A436 WeakPolarHBondContact O-CB 3.49Å; A432-A436 PolarHBondContact O-N 3.36Å; H433-A436 PolarHBondContact O-N 3.07Å; A436-L439 PolarHBondContact O-N 3.31Å; A436-Q440 PolarHBondContact O-N 3.03Å |
| 437 | A | 67.6 | Low | 70.2 | Confident | 52 Ų | 52 | 99.4 Ų | 99.4 | 43% | 0.43 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.6 | -39 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | H433 L434 L439 Q440 A441 | H433-A437 WeakPolarHBondContact O-CB 3.15Å; H433-A437 PolarHBondContact O-N 2.87Å; L434-A437 PolarHBondContact O-N 3.3Å; A437-L439 VanDerWaalsContact C-N 3.34Å; A437-L439 PolarHBondContact O-N 3.42Å; A437-Q440 PolarHBondContact O-N 3.49Å; A437-A441 WeakPolarHBondContact O-CB 3.48Å; A437-A441 PolarHBondContact O-N 2.85Å |
| 438 | H | 66 | Low | 68.7 | Low | 141 Ų | 141 | 101.2 Ų | 101.2 | 65% | 0.653 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -66.3 | -35.3 | 176 | -166.1 | -80.3 | 0 | 0 | 0 | 112.3 | L434 Q435 A442 | L434-H438 WeakPolarHBondContact O-CB 3.46Å; L434-H438 PolarHBondContact O-N 2.78Å; Q435-H438 PolarHBondContact O-N 3.05Å; H438-A442 WeakPolarHBondContact O-CB 3.3Å; H438-A442 PolarHBondContact O-N 3.24Å |
| 439 | L | 66.4 | Low | 66.8 | Low | 127 Ų | 127 | 98.7 Ų | 98.7 | 67% | 0.665 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -70.2 | -37.4 | 174.2 | -70.4 | 170.9 | 0 | 0 | 0 | 112.3 | Q435 A436 A437 A443 | Q435-L439 WeakPolarHBondContact O-CG 3.19Å; Q435-L439 PolarHBondContact O-N 3.5Å; A436-L439 PolarHBondContact O-N 3.31Å; A437-L439 VanDerWaalsContact C-N 3.34Å; A437-L439 PolarHBondContact O-N 3.42Å; L439-A443 WeakPolarHBondContact O-CB 3.21Å; L439-A443 PolarHBondContact O-N 2.78Å; L439-A443 VanDerWaalsContact O-N 3.08Å |
| 440 | Q | 63.5 | Low | 65.2 | Low | 143 Ų | 143 | 105 Ų | 105 | 67% | 0.668 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -66.6 | -40.3 | 172.4 | -82.7 | -179.2 | -26.5 | 0 | 0 | 112.3 | A436 A437 A443 L444 | A436-Q440 PolarHBondContact O-N 3.03Å; A437-Q440 PolarHBondContact O-N 3.49Å; Q440-A443 PolarHBondContact O-N 3.33Å; Q440-L444 PolarHBondContact O-N 3.24Å; Q440-L444 VanDerWaalsContact O-N 3.17Å |
| 441 | A | 61.4 | Low | 63.5 | Low | 60 Ų | 60 | 105.4 Ų | 105.4 | 50% | 0.496 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -64.9 | -40 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A437 A443 L444 S445 | A437-A441 WeakPolarHBondContact O-CB 3.48Å; A437-A441 PolarHBondContact O-N 2.85Å; A441-A443 VanDerWaalsContact C-N 3.3Å; A441-A443 PolarHBondContact O-N 3.24Å; A441-L444 PolarHBondContact O-N 3.48Å; A441-S445 PolarHBondContact O-N 2.86Å |
| 442 | A | 60.3 | Low | 61.6 | Low | 38 Ų | 38 | 104.8 Ų | 104.8 | 31% | 0.314 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -69.8 | -24.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | H438 S445 | H438-A442 WeakPolarHBondContact O-CB 3.3Å; H438-A442 PolarHBondContact O-N 3.24Å; A442-S445 PolarHBondContact O-OG 3.25Å |
| 443 | A | 57.9 | Low | 60 | Low | 66 Ų | 66 | 111.3 Ų | 111.3 | 55% | 0.545 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -75.8 | -36 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L439 Q440 A441 R446 | L439-A443 WeakPolarHBondContact O-CB 3.21Å; L439-A443 PolarHBondContact O-N 2.78Å; L439-A443 VanDerWaalsContact O-N 3.08Å; Q440-A443 PolarHBondContact O-N 3.33Å; A441-A443 VanDerWaalsContact C-N 3.3Å; A441-A443 PolarHBondContact O-N 3.24Å; A443-R446 PolarHBondContact O-N 2.87Å |
| 444 | L | 58.2 | Low | 58.7 | Low | 138 Ų | 138 | 113.9 Ų | 113.9 | 72% | 0.723 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -72.4 | -28.6 | 176.9 | -71.6 | 167 | 0 | 0 | 0 | 112.9 | Q440 A441 R446 | Q440-L444 PolarHBondContact O-N 3.24Å; Q440-L444 VanDerWaalsContact O-N 3.17Å; A441-L444 PolarHBondContact O-N 3.48Å; L444-R446 PolarHBondContact O-N 3.19Å |
| 445 | S | 56.3 | Low | 57.1 | Low | 95 Ų | 95 | 112.6 Ų | 112.6 | 66% | 0.664 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | 0.8 | 174.9 | 69.9 | 0 | 0 | 0 | 0 | 114.2 | A441 A442 | A441-S445 PolarHBondContact O-N 2.86Å; A442-S445 PolarHBondContact O-OG 3.25Å |
| 446 | R | 55.5 | Low | 55.7 | Low | 219 Ų | 219 | 113.1 Ų | 113.1 | 83% | 0.826 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112 | 10.1 | -177.7 | -83.1 | -176.1 | 162.9 | -163.3 | -4.1 | 113.8 | A443 L444 P448 | A443-R446 PolarHBondContact O-N 2.87Å; L444-R446 PolarHBondContact O-N 3.19Å; R446-P448 WeakPolarHBondContact O-CD 3.49Å |
| 447 | S | 47.3 | Very low | 54.6 | Low | 91 Ų | 91 | 118.9 Ų | 118.9 | 64% | 0.636 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 121.7 | 170.7 | 54.4 | 0 | 0 | 0 | 0 | 109.7 | ||
| 448 | P | 52.1 | Low | 53.4 | Low | 112 Ų | 112 | 125.7 Ų | 125.7 | 73% | 0.727 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 149.3 | 174.5 | 27.7 | -31.5 | 0 | 0 | 0 | 109.9 | R446 L450 | R446-P448 WeakPolarHBondContact O-CD 3.49Å; P448-L450 PolarHBondContact O-N 3.29Å |
| 449 | P | 45.5 | Very low | 52.8 | Low | 116 Ų | 116 | 123.8 Ų | 123.8 | 75% | 0.753 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 129.6 | 177.8 | 27.3 | -31.5 | 0 | 0 | 0 | 109.1 | V451 | P449-V451 PolarHBondContact O-N 2.69Å; P449-V451 VanDerWaalsContact O-N 3.08Å |
| 450 | L | 50.8 | Low | 51.8 | Low | 166 Ų | 166 | 124.6 Ų | 124.6 | 87% | 0.869 | 72% | 0.716 | S | S | * | * | trans | -65.5 | 104.1 | 169.9 | -166.4 | 90.4 | 0 | 0 | 0 | 106.9 | P448 D452 | P448-L450 PolarHBondContact O-N 3.29Å; L450-D452 PolarHBondContact O-N 2.78Å | ||
| 451 | V | 51.7 | Low | 51.2 | Low | 124 Ų | 124 | 122.7 Ų | 122.7 | 75% | 0.752 | 72% | 0.718 | S | S | * | * | trans | -72.7 | 115.5 | 167.6 | -86.8 | 0 | 0 | 0 | 0 | 107.8 | P449 E453 | P449-V451 PolarHBondContact O-N 2.69Å; P449-V451 VanDerWaalsContact O-N 3.08Å; V451-E453 PolarHBondContact O-N 2.87Å | ||
| 452 | D | 44.5 | Very low | 50.5 | Low | 119 Ų | 119 | 132.6 Ų | 132.6 | 64% | 0.636 | 75% | 0.754 | S | S | * | * | trans | -79.7 | 98.8 | 173.8 | -165.2 | -53.6 | 0 | 0 | 0 | 108.2 | L450 T454 | L450-D452 PolarHBondContact O-N 2.78Å; D452-T454 PolarHBondContact O-N 3.44Å; D452-T454 VanDerWaalsContact O-N 3.14Å; D452-T454 PolarHBondContact OD1-N 2.85Å; D452-T454 PolarHBondContact OD1-OG1 3.23Å | ||
| 453 | E | 49.8 | Very low | 50 | Low | 188 Ų | 188 | 137.3 Ų | 137.3 | 88% | 0.879 | 78% | 0.776 | S | S | * | * | trans | -81.2 | 52.1 | 173.5 | -83.5 | -153.6 | 109.6 | 0 | 0 | 111.6 | V451 | V451-E453 PolarHBondContact O-N 2.87Š| ||
| 454 | T | 53.8 | Low | 49.6 | Very low | 118 Ų | 118 | 141.1 Ų | 141.1 | 72% | 0.724 | 79% | 0.788 | S | S | * | * | trans | -137.1 | 60.8 | 168.1 | 61.5 | 0 | 0 | 0 | 0 | 112.7 | D452 | D452-T454 PolarHBondContact O-N 3.44Å; D452-T454 VanDerWaalsContact O-N 3.14Å; D452-T454 PolarHBondContact OD1-N 2.85Å; D452-T454 PolarHBondContact OD1-OG1 3.23Å | ||
| 455 | A | 42.2 | Very low | 49.1 | Very low | 88 Ų | 88 | 141.2 Ų | 141.2 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | trans | -111.8 | 117.1 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 456 | P | 45.6 | Very low | 48.6 | Very low | 123 Ų | 123 | 143.9 Ų | 143.9 | 80% | 0.799 | 80% | 0.799 | S | S | * | * | trans | -66.7 | 135.9 | 177.9 | -16.4 | 29.8 | 0 | 0 | 0 | 111.3 | E458 | P456-E458 PolarHBondContact O-N 3.42Š| ||
| 457 | L | 49.2 | Very low | 48.2 | Very low | 173 Ų | 173 | 139.3 Ų | 139.3 | 91% | 0.906 | 80% | 0.798 | S | S | * | * | trans | -66 | 114.2 | 170.9 | -63 | 167.8 | 0 | 0 | 0 | 109 | ||||
| 458 | E | 44.1 | Very low | 48.3 | Very low | 195 Ų | 195 | 142.5 Ų | 142.5 | 91% | 0.911 | 81% | 0.808 | S | S | * | * | trans | -106.1 | 132.6 | 158.5 | -73.4 | -163.9 | 112.7 | 0 | 0 | 109.6 | P456 | P456-E458 PolarHBondContact O-N 3.42Š| ||
| 459 | S | 51.8 | Low | 48 | Very low | 100 Ų | 100 | 144.6 Ų | 144.6 | 70% | 0.699 | 81% | 0.814 | S | S | * | * | trans | -84 | 167.9 | -166.6 | -45.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 460 | D | 46.8 | Very low | 48.2 | Very low | 145 Ų | 145 | 146.8 Ų | 146.8 | 78% | 0.775 | 82% | 0.819 | S | S | * | * | trans | 82.6 | 141.4 | 140.5 | -87.4 | -71.1 | 0 | 0 | 0 | 121.6 | ||||
| 461 | S | 49.9 | Very low | 48 | Very low | 103 Ų | 103 | 145.3 Ų | 145.3 | 72% | 0.72 | 82% | 0.815 | S | S | * | * | trans | 69 | 131.8 | 156.9 | 42 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 462 | E | 46.6 | Very low | 47.7 | Very low | 267 Ų | 267 | 147.2 Ų | 147.2 | 100% | 1.248 | 82% | 0.82 | S | S | * | * | cis | -159.2 | 0 | 6.8 | -111.6 | 175.9 | 106.4 | 0 | 0 | 107.7 |
Retrieved 462 of 462 residues in 557.2 ms
(Link to these results)