| 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 | 44.7 | Very low | 38.7 | Very low | 239 Ų | 239 | 163.2 Ų | 163.2 | 100% | 1.177 | 85% | 0.85 | S | S | * | * | 0 | 95.9 | 0 | 177.3 | 176.6 | -102.1 | 0 | 0 | 104.7 | |||||
| 2 | E | 40.3 | Very low | 38.5 | Very low | 197 Ų | 197 | 159.2 Ų | 159.2 | 92% | 0.921 | 84% | 0.842 | S | S | * | * | trans | -172.2 | 141.1 | 162.1 | -107.7 | 167.1 | 179.9 | 0 | 0 | 108.6 | ||||
| 3 | D | 38.3 | Very low | 38.1 | Very low | 167 Ų | 167 | 157.5 Ų | 157.5 | 89% | 0.893 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 149.5 | -145.8 | -85.6 | -49.1 | 0 | 0 | 0 | 115.9 | ||
| 4 | A | 40.4 | Very low | 37.8 | Very low | 80 Ų | 80 | 159.9 Ų | 159.9 | 66% | 0.661 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 126.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | F6 | A4-F6 PolarHBondContact O-N 3.4Š|
| 5 | M | 40.5 | Very low | 37.7 | Very low | 188 Ų | 188 | 159.5 Ų | 159.5 | 93% | 0.926 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 119.4 | 163.2 | -74.1 | -177.7 | 160.5 | 0 | 0 | 110.4 | ||
| 6 | F | 40.7 | Very low | 38.2 | Very low | 175 Ų | 175 | 156.4 Ų | 156.4 | 77% | 0.768 | 84% | 0.841 | S | S | * | * | trans | -102.6 | 98.7 | 162.3 | -86.2 | -81 | 0 | 0 | 0 | 109.6 | A4 | A4-F6 PolarHBondContact O-N 3.4Š| ||
| 7 | Q | 39.5 | Very low | 38.1 | Very low | 184 Ų | 184 | 159.6 Ų | 159.6 | 86% | 0.86 | 84% | 0.84 | S | S | * | * | trans | -93.7 | 115.7 | 153.6 | -77.5 | -173.7 | -14 | 0 | 0 | 107.4 | ||||
| 8 | N | 31.8 | Very low | 37.8 | Very low | 135 Ų | 135 | 161.5 Ų | 161.5 | 72% | 0.722 | 84% | 0.841 | S | S | * | * | trans | -119.2 | 99.1 | 167.3 | -85.6 | -46.3 | 0 | 0 | 0 | 109 | ||||
| 9 | S | 33.3 | Very low | 37.6 | Very low | 109 Ų | 109 | 159.8 Ų | 159.8 | 76% | 0.762 | 84% | 0.838 | S | S | * | * | trans | -64.9 | 121.1 | 165.1 | 38.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 10 | I | 35.7 | Very low | 37.3 | Very low | 171 Ų | 171 | 155.7 Ų | 155.7 | 88% | 0.877 | 84% | 0.836 | S | S | * | * | trans | -88.6 | 111.7 | 170.5 | -62 | 173.5 | 0 | 0 | 0 | 107.8 | ||||
| 11 | L | 40.6 | Very low | 37.1 | Very low | 150 Ų | 150 | 151.8 Ų | 151.8 | 79% | 0.785 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 150.5 | 166.2 | -80.8 | 161.1 | 0 | 0 | 0 | 110.2 | ||
| 12 | P | 36.3 | Very low | 36.8 | Very low | 115 Ų | 115 | 149.2 Ų | 149.2 | 75% | 0.747 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 131.4 | 177.3 | 32.8 | -30.2 | 0 | 0 | 0 | 111.1 | ||
| 13 | C | 33.1 | Very low | 36.6 | Very low | 138 Ų | 138 | 143.7 Ų | 143.7 | 93% | 0.932 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 124.6 | 171.7 | -89 | 0 | 0 | 0 | 0 | 111.1 | ||
| 14 | Q | 34 | Very low | 36.5 | Very low | 190 Ų | 190 | 146.4 Ų | 146.4 | 89% | 0.888 | 80% | 0.8 | S | S | * | * | trans | -107.5 | 156.3 | 159.7 | -76.1 | -174.2 | 16.6 | 0 | 0 | 110.3 | ||||
| 15 | D | 37.1 | Very low | 36.2 | Very low | 154 Ų | 154 | 150.1 Ų | 150.1 | 82% | 0.824 | 81% | 0.809 | S | S | * | * | trans | -44.4 | 163.5 | -165.3 | -66.6 | -42.9 | 0 | 0 | 0 | 120.7 | ||||
| 16 | P | 45.7 | Very low | 35.8 | Very low | 110 Ų | 110 | 146.9 Ų | 146.9 | 71% | 0.714 | 80% | 0.803 | S | S | * | * | -144.1 | 131.9 | 113.8 | 21.9 | 0.5 | 0 | 0 | 0 | 117.5 | |||||
| 17 | Y | 36.7 | Very low | 36.3 | Very low | 211 Ų | 211 | 143.1 Ų | 143.1 | 83% | 0.827 | 80% | 0.796 | S | S | * | * | trans | 40 | 128.8 | 139.2 | -47.7 | -80.7 | 0 | 0 | 0 | 123.2 | ||||
| 18 | F | 31.9 | Very low | 35.9 | Very low | 194 Ų | 194 | 144.9 Ų | 144.9 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | -176.9 | 118.1 | 107 | -118.3 | -97.8 | 0 | 0 | 0 | 115.2 | |||||
| 19 | V | 33.6 | Very low | 36.3 | Very low | 130 Ų | 130 | 143.9 Ų | 143.9 | 79% | 0.788 | 80% | 0.8 | S | S | * | * | trans | 30.4 | 127.2 | 136.6 | -167.9 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 20 | G | 32.8 | Very low | 36.2 | Very low | 77 Ų | 77 | 145.4 Ų | 145.4 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | trans | 179.1 | 88 | 153.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 21 | G | 32.5 | Very low | 36.2 | Very low | 74 Ų | 74 | 143.4 Ų | 143.4 | 76% | 0.763 | 80% | 0.801 | S | S | * | * | trans | -79.8 | 160.3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 22 | Q | 38 | Very low | 35.8 | Very low | 185 Ų | 185 | 142.7 Ų | 142.7 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | trans | -152.6 | 130 | 143.9 | -111.1 | -178.5 | 44.2 | 0 | 0 | 110.5 | ||||
| 23 | S | 35.7 | Very low | 35.6 | Very low | 81 Ų | 81 | 142.4 Ų | 142.4 | 57% | 0.566 | 80% | 0.804 | S | S | * | * | trans | -54.2 | 147 | 178.9 | 52 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 24 | Y | 36.2 | Very low | 35.7 | Very low | 224 Ų | 224 | 145.2 Ų | 145.2 | 88% | 0.878 | 80% | 0.803 | S | S | * | * | -158.1 | 142.7 | 119.9 | -79.3 | -65.4 | 0 | 0 | 0 | 110.2 | |||||
| 25 | N | 35.8 | Very low | 35.8 | Very low | 158 Ų | 158 | 141.8 Ų | 141.8 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | trans | -82.1 | 165.8 | -174.4 | -91.5 | -67.1 | 0 | 0 | 0 | 113.5 | ||||
| 26 | C | 31.2 | Very low | 35.9 | Very low | 119 Ų | 119 | 139.8 Ų | 139.8 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | 101.9 | 150.7 | 149.9 | -94.8 | 0 | 0 | 0 | 0 | 119 | ||||
| 27 | P | 51 | Low | 35.7 | Very low | 97 Ų | 97 | 140.7 Ų | 140.7 | 63% | 0.63 | 80% | 0.801 | S | S | * | * | trans | -116.6 | -167.4 | -130 | 31.5 | -9.7 | 0 | 0 | 0 | 111.8 | ||||
| 28 | Y | 31.6 | Very low | 35.8 | Very low | 220 Ų | 220 | 137.4 Ų | 137.4 | 86% | 0.863 | 80% | 0.798 | S | S | * | * | trans | 105.7 | 109.4 | 173.6 | -62.6 | -75.4 | 0 | 0 | 0 | 115.6 | ||||
| 29 | S | 40.1 | Very low | 36.2 | Very low | 115 Ų | 115 | 134 Ų | 134 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | -63.7 | 138.2 | 159.9 | -50.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 30 | T | 30.4 | Very low | 36.8 | Very low | 141 Ų | 141 | 131.4 Ų | 131.4 | 87% | 0.865 | 78% | 0.781 | S | S | * | * | trans | -162.2 | 129.6 | 133.9 | 12.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 31 | T | 36.4 | Very low | 37.9 | Very low | 128 Ų | 128 | 137 Ų | 137 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | trans | -38.2 | 138.6 | 164.9 | -52.5 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 32 | T | 31.1 | Very low | 38.8 | Very low | 135 Ų | 135 | 140.1 Ų | 140.1 | 83% | 0.828 | 78% | 0.778 | S | S | * | * | trans | -157.2 | 107 | 140.7 | -59.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 33 | S | 33.6 | Very low | 39.8 | Very low | 110 Ų | 110 | 136.6 Ų | 136.6 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | trans | 27.6 | 111.3 | 145 | -54.3 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 34 | E | 34.8 | Very low | 40.3 | Very low | 197 Ų | 197 | 144.5 Ų | 144.5 | 92% | 0.921 | 79% | 0.787 | S | S | * | * | trans | -88.1 | 130.7 | 150 | -68.7 | -176.2 | 150.2 | 0 | 0 | 109.4 | ||||
| 35 | S | 34.8 | Very low | 40.8 | Very low | 117 Ų | 117 | 139.3 Ų | 139.3 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | -93.4 | 95.4 | 169.4 | 63.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 36 | S | 39.2 | Very low | 41.3 | Very low | 113 Ų | 113 | 136.8 Ų | 136.8 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 127 | 164 | 59.1 | 0 | 0 | 0 | 0 | 109.1 | ||
| 37 | V | 42.4 | Very low | 41.9 | Very low | 128 Ų | 128 | 140.6 Ų | 140.6 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -85 | 116.3 | 171.2 | 179.7 | 0 | 0 | 0 | 0 | 107 | ||
| 38 | D | 39.7 | Very low | 41.9 | Very low | 142 Ų | 142 | 147.9 Ų | 147.9 | 76% | 0.759 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 119.2 | 176.8 | -166.1 | 8.9 | 0 | 0 | 0 | 109.5 | ||
| 39 | V | 39.1 | Very low | 42.4 | Very low | 124 Ų | 124 | 141.8 Ų | 141.8 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | trans | -105.1 | 95.4 | 176.3 | -157.2 | 0 | 0 | 0 | 0 | 107.1 | K41 | V39-K41 PolarHBondContact O-N 3.22Š| ||
| 40 | S | 45.4 | Very low | 42.6 | Very low | 75 Ų | 75 | 140.6 Ų | 140.6 | 52% | 0.524 | 78% | 0.784 | S | S | . | * | trans | -62.3 | 122.5 | 171.5 | -72.7 | 0 | 0 | 0 | 0 | 109.4 | E42 | S40-E42 WeakPolarHBondContact CB-OE1 3.31Š| ||
| 41 | K | 57.8 | Low | 43.2 | Very low | 194 Ų | 194 | 139.5 Ų | 139.5 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | trans | -91.9 | 85.3 | 166.6 | -84.9 | -174.7 | 174.4 | -178.9 | 0 | 107.7 | V39 T43 | V39-K41 PolarHBondContact O-N 3.22Å; K41-T43 PolarHBondContact O-N 2.57Å; K41-T43 VanDerWaalsContact O-N 3.1Å | ||
| 42 | E | 51.4 | Low | 43.5 | Very low | 139 Ų | 139 | 141.5 Ų | 141.5 | 65% | 0.65 | 79% | 0.787 | S | S | * | * | trans | -74.6 | 105.1 | 170.9 | -43.1 | 85.2 | -164.3 | 0 | 0 | 109.2 | S40 W44 | S40-E42 WeakPolarHBondContact CB-OE1 3.31Å; E42-W44 PolarHBondContact O-N 3.17Å | ||
| 43 | T | 57.5 | Low | 44 | Very low | 111 Ų | 111 | 142.5 Ų | 142.5 | 68% | 0.681 | 79% | 0.786 | S | S | * | * | trans | -77.2 | 109.8 | 177.3 | -64 | 0 | 0 | 0 | 0 | 108.8 | K41 V45 | K41-T43 PolarHBondContact O-N 2.57Å; K41-T43 VanDerWaalsContact O-N 3.1Å; T43-V45 HydrophobicContact CG2-CB 4Å; T43-V45 HydrophobicContact CG2-CG2 3.62Å; T43-V45 PolarHBondContact O-N 3.1Å | ||
| 44 | W | 46.9 | Very low | 44.2 | Very low | 247 Ų | 247 | 143.6 Ų | 143.6 | 94% | 0.936 | 78% | 0.784 | S | S | * | * | trans | -75.7 | 73.1 | 170.9 | -71.4 | 73.9 | 0 | 0 | 0 | 110.3 | E42 | E42-W44 PolarHBondContact O-N 3.17Š| ||
| 45 | V | 46.1 | Very low | 44.3 | Very low | 115 Ų | 115 | 141.7 Ų | 141.7 | 70% | 0.697 | 78% | 0.78 | S | S | * | * | trans | -130.9 | 80.4 | 170.2 | -179.7 | 0 | 0 | 0 | 0 | 107.7 | T43 | T43-V45 HydrophobicContact CG2-CB 4Å; T43-V45 HydrophobicContact CG2-CG2 3.62Å; T43-V45 PolarHBondContact O-N 3.1Å | ||
| 46 | S | 46.8 | Very low | 44.6 | Very low | 106 Ų | 106 | 139.9 Ų | 139.9 | 74% | 0.741 | 77% | 0.772 | S | S | * | * | trans | -156.7 | -1.2 | 166.9 | -79.1 | 0 | 0 | 0 | 0 | 115.6 | W48 | S46-W48 PolarHBondContact O-N 3.5Š| ||
| 47 | F | 44.3 | Very low | 44.3 | Very low | 198 Ų | 198 | 142.2 Ų | 142.2 | 87% | 0.868 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -85.3 | -5.9 | -176.3 | -138.7 | -93.1 | 0 | 0 | 0 | 115.5 | ||
| 48 | W | 50.4 | Low | 44.3 | Very low | 250 Ų | 250 | 141.6 Ų | 141.6 | 95% | 0.947 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -110.1 | -3.2 | -176.9 | -63.5 | 106.6 | 0 | 0 | 0 | 114.9 | S46 | S46-W48 PolarHBondContact O-N 3.5Š|
| 49 | A | 42.8 | Very low | 44.2 | Very low | 92 Ų | 92 | 142.3 Ų | 142.3 | 76% | 0.76 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -93.7 | 2.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 50 | A | 44 | Very low | 44.1 | Very low | 91 Ų | 91 | 145.2 Ų | 145.2 | 75% | 0.752 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -102.8 | 17.1 | -170.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 51 | S | 41.8 | Very low | 43.4 | Very low | 117 Ų | 117 | 146 Ų | 146 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -129.6 | 31.3 | 174 | -73.9 | 0 | 0 | 0 | 0 | 114.9 | ||
| 52 | L | 42.9 | Very low | 42.7 | Very low | 171 Ų | 171 | 142.5 Ų | 142.5 | 90% | 0.895 | 78% | 0.781 | S | S | * | * | trans | -134.6 | 71.1 | 162.3 | -107 | 108.7 | 0 | 0 | 0 | 109.3 | ||||
| 53 | L | 42.2 | Very low | 41.9 | Very low | 156 Ų | 156 | 144 Ų | 144 | 82% | 0.817 | 79% | 0.788 | S | S | * | * | trans | -91.7 | 103.1 | 161.4 | -146 | 76.3 | 0 | 0 | 0 | 108.2 | N55 | L53-N55 PolarHBondContact O-N 3.14Š| ||
| 54 | D | 36.8 | Very low | 40.8 | Very low | 133 Ų | 133 | 144.3 Ų | 144.3 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | trans | -35.5 | 117.7 | 160 | -174.3 | 18.2 | 0 | 0 | 0 | 112 | A56 | D54-A56 WeakPolarHBondContact OD1-CB 3.41Å; D54-A56 PolarHBondContact OD1-N 3.18Å | ||
| 55 | N | 37.8 | Very low | 40.1 | Very low | 157 Ų | 157 | 141.6 Ų | 141.6 | 84% | 0.84 | 79% | 0.788 | S | S | * | * | trans | -116.1 | 65.8 | 164.8 | -78.1 | -70.9 | 0 | 0 | 0 | 108.1 | L53 | L53-N55 PolarHBondContact O-N 3.14Š| ||
| 56 | A | 41.6 | Very low | 39.8 | Very low | 78 Ų | 78 | 145.2 Ų | 145.2 | 65% | 0.645 | 80% | 0.797 | S | S | * | * | trans | -90.1 | 96.1 | 162.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | D54 | D54-A56 WeakPolarHBondContact OD1-CB 3.41Å; D54-A56 PolarHBondContact OD1-N 3.18Å | ||
| 57 | E | 31.8 | Very low | 39.4 | Very low | 162 Ų | 162 | 144.2 Ų | 144.2 | 76% | 0.757 | 80% | 0.795 | S | S | * | * | trans | -140.3 | 123.3 | 156.7 | -169.7 | 103.3 | -152.7 | 0 | 0 | 109.1 | ||||
| 58 | P | 43.5 | Very low | 39.1 | Very low | 116 Ų | 116 | 140 Ų | 140 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | trans | -92.6 | 112.1 | -179.4 | 32.8 | -27.7 | 0 | 0 | 0 | 111 | ||||
| 59 | Q | 37.3 | Very low | 38.3 | Very low | 157 Ų | 157 | 133 Ų | 133 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | trans | -138.1 | 97.9 | 170.6 | -71.1 | -77.5 | -36.4 | 0 | 0 | 111.1 | ||||
| 60 | Q | 36 | Very low | 38.3 | Very low | 184 Ų | 184 | 135.2 Ų | 135.2 | 86% | 0.86 | 78% | 0.777 | S | S | * | * | trans | 42.1 | 123.7 | 145.7 | -58.2 | -157.4 | -41.1 | 0 | 0 | 121.9 | ||||
| 61 | A | 32.3 | Very low | 38.3 | Very low | 91 Ų | 91 | 136.5 Ų | 136.5 | 75% | 0.752 | 77% | 0.771 | S | S | * | * | trans | -71.3 | 158.2 | 158 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 62 | P | 41.8 | Very low | 38.6 | Very low | 122 Ų | 122 | 138.1 Ų | 138.1 | 79% | 0.792 | 77% | 0.771 | S | S | * | * | -139.4 | 129.2 | 89.4 | 28 | -9.4 | 0 | 0 | 0 | 115.8 | |||||
| 63 | Q | 36.2 | Very low | 38.9 | Very low | 170 Ų | 170 | 136.3 Ų | 136.3 | 79% | 0.794 | 76% | 0.756 | S | S | * | * | trans | 53.8 | 127.3 | 130.4 | -67.8 | -78.6 | -15 | 0 | 0 | 121.7 | ||||
| 64 | T | 32.8 | Very low | 39.5 | Very low | 117 Ų | 117 | 134 Ų | 134 | 72% | 0.718 | 75% | 0.75 | S | S | * | * | trans | 88.9 | 98.9 | 145.3 | -35.1 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 65 | Q | 33.7 | Very low | 40.3 | Very low | 190 Ų | 190 | 132.3 Ų | 132.3 | 89% | 0.888 | 74% | 0.744 | S | S | * | * | -169.8 | 136.5 | 105 | -130.1 | 160.7 | 4.1 | 0 | 0 | 112.1 | |||||
| 66 | E | 38.5 | Very low | 40.9 | Very low | 191 Ų | 191 | 132.5 Ų | 132.5 | 89% | 0.893 | 74% | 0.744 | S | S | * | * | trans | -60.5 | 129.9 | 178.8 | -60.4 | 177.2 | 147.9 | 0 | 0 | 112.2 | ||||
| 67 | A | 38.2 | Very low | 41.6 | Very low | 85 Ų | 85 | 135.2 Ų | 135.2 | 70% | 0.702 | 75% | 0.748 | S | S | * | * | trans | -147.1 | 83.5 | 147.3 | 0 | 0 | 0 | 0 | 0 | 106.6 | C69 | A67-C69 PolarHBondContact O-N 3.12Š| ||
| 68 | S | 39.1 | Very low | 42.8 | Very low | 110 Ų | 110 | 130.6 Ų | 130.6 | 77% | 0.769 | 73% | 0.734 | S | S | * | * | trans | -63.8 | 84.2 | 162.4 | 55.7 | 0 | 0 | 0 | 0 | 108 | D70 | S68-D70 VanDerWaalsContact C-N 3.26Å; S68-D70 PolarHBondContact O-N 2.99Å; S68-D70 VanDerWaalsContact O-N 3.15Å | ||
| 69 | C | 33.5 | Very low | 43.7 | Very low | 103 Ų | 103 | 128.3 Ų | 128.3 | 70% | 0.696 | 72% | 0.72 | S | S | * | * | trans | -78.9 | 89.2 | 160.8 | -70.2 | 0 | 0 | 0 | 0 | 106.7 | A67 L71 | A67-C69 PolarHBondContact O-N 3.12Å; C69-L71 PolarHBondContact O-N 3.39Å | ||
| 70 | D | 42.5 | Very low | 45.3 | Very low | 138 Ų | 138 | 124.4 Ų | 124.4 | 74% | 0.738 | 71% | 0.71 | S | S | * | * | trans | -54.4 | 88.2 | 159.8 | -94.7 | -41 | 0 | 0 | 0 | 108.8 | S68 | S68-D70 VanDerWaalsContact C-N 3.26Å; S68-D70 PolarHBondContact O-N 2.99Å; S68-D70 VanDerWaalsContact O-N 3.15Å | ||
| 71 | L | 43.1 | Very low | 47.2 | Very low | 118 Ų | 118 | 123.8 Ų | 123.8 | 62% | 0.618 | 70% | 0.7 | S | S | * | * | trans | -115.1 | 77.3 | 163.6 | -78.9 | 162.7 | 0 | 0 | 0 | 106 | C69 F73 | C69-L71 PolarHBondContact O-N 3.39Å; L71-F73 HydrophobicContact CB-CD2 3.65Å; L71-F73 HydrophobicContact CB-CE2 3.63Å; L71-F73 HydrophobicContact CD1-CE2 3.94Å; L71-F73 HydrophobicContact CD2-CD2 4.31Å; L71-F73 HydrophobicContact CD2-CE2 3.61Å; L71-F73 HydrophobicContact CD2-CZ 3.94Å; L71-F73 HydrophobicContact CG-CD2 4.42Å; L71-F73 HydrophobicContact CG-CE2 3.91Å; L71-F73 PolarHBondContact O-N 3.18Å | ||
| 72 | N | 49.7 | Very low | 49.6 | Very low | 152 Ų | 152 | 125 Ų | 125 | 81% | 0.813 | 69% | 0.69 | S | S | * | * | trans | -63.6 | 79.2 | 160.2 | -76.9 | -72.7 | 0 | 0 | 0 | 107.9 | ||||
| 73 | F | 48.4 | Very low | 51.7 | Low | 132 Ų | 132 | 125 Ų | 125 | 58% | 0.579 | 68% | 0.679 | S | S | * | * | trans | -82.2 | 139.8 | 165 | -79.9 | -75.8 | 0 | 0 | 0 | 108.7 | L71 V75 | L71-F73 HydrophobicContact CB-CD2 3.65Å; L71-F73 HydrophobicContact CB-CE2 3.63Å; L71-F73 HydrophobicContact CD1-CE2 3.94Å; L71-F73 HydrophobicContact CD2-CD2 4.31Å; L71-F73 HydrophobicContact CD2-CE2 3.61Å; L71-F73 HydrophobicContact CD2-CZ 3.94Å; L71-F73 HydrophobicContact CG-CD2 4.42Å; L71-F73 HydrophobicContact CG-CE2 3.91Å; L71-F73 PolarHBondContact O-N 3.18Å; F73-V75 HydrophobicContact CB-CB 4.21Å; F73-V75 HydrophobicContact CB-CG2 3.7Å; F73-V75 HydrophobicContact CG-CG2 4.39Å; F73-V75 PolarHBondContact O-N 2.8Å | ||
| 74 | P | 53.9 | Low | 54.2 | Low | 107 Ų | 107 | 119.4 Ų | 119.4 | 70% | 0.695 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | 28.5 | 172.5 | 32.1 | -34.4 | 0 | 0 | 0 | 112.9 | L76 D77 | P74-L76 VanDerWaalsContact C-N 3.25Å; P74-L76 PolarHBondContact O-N 3.18Å; P74-D77 PolarHBondContact O-N 2.99Å |
| 75 | V | 54.3 | Low | 57.1 | Low | 98 Ų | 98 | 117.9 Ų | 117.9 | 59% | 0.594 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -70.8 | -22.4 | -176.1 | 167 | 0 | 0 | 0 | 0 | 111.9 | F73 D77 S78 | F73-V75 HydrophobicContact CB-CB 4.21Å; F73-V75 HydrophobicContact CB-CG2 3.7Å; F73-V75 HydrophobicContact CG-CG2 4.39Å; F73-V75 PolarHBondContact O-N 2.8Å; V75-D77 VanDerWaalsContact C-N 3.26Å; V75-D77 PolarHBondContact O-N 2.92Å; V75-S78 PolarHBondContact O-N 3.06Å |
| 76 | L | 50.4 | Low | 60 | Low | 161 Ų | 161 | 114.7 Ų | 114.7 | 84% | 0.843 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -66.1 | -27.9 | 179.4 | -158.9 | 68.8 | 0 | 0 | 0 | 112.9 | P74 | P74-L76 VanDerWaalsContact C-N 3.25Å; P74-L76 PolarHBondContact O-N 3.18Å |
| 77 | D | 56.6 | Low | 62.7 | Low | 135 Ų | 135 | 109.3 Ų | 109.3 | 72% | 0.722 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -87.2 | -25.5 | -178.2 | -123.3 | 12.4 | 0 | 0 | 0 | 113.1 | P74 V75 W81 | P74-D77 PolarHBondContact O-N 2.99Å; V75-D77 VanDerWaalsContact C-N 3.26Å; V75-D77 PolarHBondContact O-N 2.92Å; D77-W81 PolarHBondContact O-N 3.09Å |
| 78 | S | 57.4 | Low | 65.5 | Low | 66 Ų | 66 | 107.4 Ų | 107.4 | 46% | 0.462 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -73.3 | -36.8 | 176.8 | -69.2 | 0 | 0 | 0 | 0 | 112.6 | V75 S80 W81 E82 | V75-S78 PolarHBondContact O-N 3.06Å; S78-S80 PolarHBondContact O-N 3.08Å; S78-W81 PolarHBondContact O-N 2.88Å; S78-E82 VanDerWaalsContact O-CG 3.32Å; S78-E82 WeakPolarHBondContact O-CG 3.33Å; S78-E82 PolarHBondContact O-N 3.24Å |
| 79 | C | 61.3 | Low | 68.2 | Low | 68 Ų | 68 | 107.2 Ų | 107.2 | 46% | 0.459 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -65.2 | -40.1 | -179.2 | -160.5 | 0 | 0 | 0 | 0 | 112.1 | E82 E83 | C79-E82 PolarHBondContact O-N 3.02Å; C79-E83 PolarHBondContact O-N 3.4Å |
| 80 | S | 72.4 | Confident | 71.3 | Confident | 74 Ų | 74 | 108.8 Ų | 108.8 | 52% | 0.517 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -68.2 | -37.5 | 177.6 | -178.5 | 0 | 0 | 0 | 0 | 112.8 | S78 A84 | S78-S80 PolarHBondContact O-N 3.08Å; S80-A84 WeakPolarHBondContact O-CB 3.29Å; S80-A84 PolarHBondContact O-N 3.49Å |
| 81 | W | 75.6 | Confident | 73.9 | Confident | 171 Ų | 171 | 109.1 Ų | 109.1 | 65% | 0.648 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -66.5 | -43 | 174.8 | 173.9 | -101.6 | 0 | 0 | 0 | 111.8 | D77 S78 A84 Q85 | D77-W81 PolarHBondContact O-N 3.09Å; S78-W81 PolarHBondContact O-N 2.88Å; W81-A84 PolarHBondContact O-N 3.03Å; W81-Q85 HydrophobicContact CD2-CG 4.35Å; W81-Q85 VanDerWaalsContact CH2-NE2 3.35Å; W81-Q85 HydrophobicContact CZ2-CG 4.2Å; W81-Q85 WeakPolarHBondContact O-CG 3.33Å; W81-Q85 PolarHBondContact O-N 3.06Å |
| 82 | E | 81.9 | Confident | 76.6 | Confident | 116 Ų | 116 | 110 Ų | 110 | 54% | 0.542 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -62 | -43.6 | 176.3 | -73 | 170.2 | -170.6 | 0 | 0 | 111.9 | S78 C79 A84 Q85 L86 | S78-E82 VanDerWaalsContact O-CG 3.32Å; S78-E82 WeakPolarHBondContact O-CG 3.33Å; S78-E82 PolarHBondContact O-N 3.24Å; C79-E82 PolarHBondContact O-N 3.02Å; E82-A84 PolarHBondContact O-N 3.49Å; E82-Q85 PolarHBondContact O-N 2.99Å; E82-L86 WeakPolarHBondContact O-CB 3.47Å; E82-L86 VanDerWaalsContact O-CG 3.31Å; E82-L86 WeakPolarHBondContact O-CG 3.34Å; E82-L86 PolarHBondContact O-N 2.97Å |
| 83 | E | 85.2 | Confident | 78.9 | Confident | 123 Ų | 123 | 107.2 Ų | 107.2 | 58% | 0.575 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -62.6 | -38.9 | 173.6 | -83.4 | 180 | 150.7 | 0 | 0 | 112.9 | C79 L86 S87 | C79-E83 PolarHBondContact O-N 3.4Å; E83-L86 PolarHBondContact O-N 3.46Å; E83-S87 VanDerWaalsContact O-CB 3.3Å; E83-S87 WeakPolarHBondContact O-CB 3.44Å; E83-S87 PolarHBondContact O-N 2.88Å; E83-S87 PolarHBondContact O-OG 3.13Å |
| 84 | A | 90.4 | Very high | 81.2 | Confident | 52 Ų | 52 | 106.5 Ų | 106.5 | 43% | 0.43 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -66.7 | -39 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | S80 W81 E82 S87 S88 | S80-A84 WeakPolarHBondContact O-CB 3.29Å; S80-A84 PolarHBondContact O-N 3.49Å; W81-A84 PolarHBondContact O-N 3.03Å; E82-A84 PolarHBondContact O-N 3.49Å; A84-S87 PolarHBondContact O-N 3.42Å; A84-S88 WeakPolarHBondContact O-CB 3.21Å; A84-S88 PolarHBondContact O-N 2.71Å |
| 85 | Q | 93.9 | Very high | 83.4 | Confident | 86 Ų | 86 | 105.3 Ų | 105.3 | 40% | 0.402 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.5 | -44.3 | 174.6 | -70.4 | -53.8 | -53.6 | 0 | 0 | 111.8 | W81 E82 S87 S88 Q89 | W81-Q85 HydrophobicContact CD2-CG 4.35Å; W81-Q85 VanDerWaalsContact CH2-NE2 3.35Å; W81-Q85 HydrophobicContact CZ2-CG 4.2Å; W81-Q85 WeakPolarHBondContact O-CG 3.33Å; W81-Q85 PolarHBondContact O-N 3.06Å; E82-Q85 PolarHBondContact O-N 2.99Å; Q85-S87 VanDerWaalsContact C-N 3.34Å; Q85-S87 PolarHBondContact O-N 3.42Å; Q85-S88 WeakPolarHBondContact O-CB 3.4Å; Q85-S88 PolarHBondContact O-N 3.48Å; Q85-Q89 WeakPolarHBondContact O-CB 3.22Å; Q85-Q89 PolarHBondContact O-N 3.23Å |
| 86 | L | 93.8 | Very high | 85.5 | Confident | 122 Ų | 122 | 106.2 Ų | 106.2 | 64% | 0.639 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -60.6 | -44.3 | 174.8 | -73.7 | 171.4 | 0 | 0 | 0 | 111 | E82 E83 S88 Q89 L90 | E82-L86 WeakPolarHBondContact O-CB 3.47Å; E82-L86 VanDerWaalsContact O-CG 3.31Å; E82-L86 WeakPolarHBondContact O-CG 3.34Å; E82-L86 PolarHBondContact O-N 2.97Å; E83-L86 PolarHBondContact O-N 3.46Å; L86-S88 PolarHBondContact O-N 3.32Å; L86-Q89 PolarHBondContact O-N 2.8Å; L86-L90 WeakPolarHBondContact O-CB 3.23Å; L86-L90 PolarHBondContact O-N 3.48Å |
| 87 | S | 95.1 | Very high | 87.8 | Confident | 79 Ų | 79 | 104.1 Ų | 104.1 | 55% | 0.552 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.8 | -42.9 | 176.3 | -61.6 | 0 | 0 | 0 | 0 | 112.1 | E83 A84 Q85 Q89 L90 Y91 | E83-S87 VanDerWaalsContact O-CB 3.3Å; E83-S87 WeakPolarHBondContact O-CB 3.44Å; E83-S87 PolarHBondContact O-N 2.88Å; E83-S87 PolarHBondContact O-OG 3.13Å; A84-S87 PolarHBondContact O-N 3.42Å; Q85-S87 VanDerWaalsContact C-N 3.34Å; Q85-S87 PolarHBondContact O-N 3.42Å; S87-Q89 VanDerWaalsContact C-N 3.34Å; S87-Q89 PolarHBondContact O-N 3.46Å; S87-L90 PolarHBondContact O-N 3.43Å; S87-Y91 WeakPolarHBondContact O-CB 3.34Å; S87-Y91 PolarHBondContact O-N 3.14Å |
| 88 | S | 96.1 | Very high | 89.8 | Confident | 44 Ų | 44 | 101.5 Ų | 101.5 | 31% | 0.308 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.1 | -43.4 | 174.6 | -174 | 0 | 0 | 0 | 0 | 111.7 | A84 Q85 L86 Y91 R92 | A84-S88 WeakPolarHBondContact O-CB 3.21Å; A84-S88 PolarHBondContact O-N 2.71Å; Q85-S88 WeakPolarHBondContact O-CB 3.4Å; Q85-S88 PolarHBondContact O-N 3.48Å; L86-S88 PolarHBondContact O-N 3.32Å; S88-Y91 PolarHBondContact O-N 3.18Å; S88-R92 PolarHBondContact O-N 3.04Å |
| 89 | Q | 97 | Very high | 91.7 | Very high | 107 Ų | 107 | 101.5 Ų | 101.5 | 50% | 0.5 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -69.5 | -38.8 | -179.9 | -169.5 | 61.5 | 10.5 | 0 | 0 | 112.1 | Q85 L86 S87 Y91 R92 N93 | Q85-Q89 WeakPolarHBondContact O-CB 3.22Å; Q85-Q89 PolarHBondContact O-N 3.23Å; L86-Q89 PolarHBondContact O-N 2.8Å; S87-Q89 VanDerWaalsContact C-N 3.34Å; S87-Q89 PolarHBondContact O-N 3.46Å; Q89-Y91 VanDerWaalsContact C-N 3.33Å; Q89-Y91 PolarHBondContact O-N 2.99Å; Q89-R92 PolarHBondContact O-N 3.33Å; Q89-N93 WeakPolarHBondContact O-CB 3.48Å; Q89-N93 PolarHBondContact O-N 3.47Å |
| 90 | L | 97.9 | Very high | 93.5 | Very high | 136 Ų | 136 | 103 Ų | 103 | 71% | 0.712 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.4 | -42.5 | 174.9 | -147.1 | 94.4 | 0 | 0 | 0 | 110.9 | L86 S87 N93 K94 | L86-L90 WeakPolarHBondContact O-CB 3.23Å; L86-L90 PolarHBondContact O-N 3.48Å; S87-L90 PolarHBondContact O-N 3.43Å; L90-N93 PolarHBondContact O-N 3.01Å; L90-K94 PolarHBondContact O-N 3.02Å |
| 91 | Y | 98.1 | Very high | 94.8 | Very high | 145 Ų | 145 | 102.6 Ų | 102.6 | 57% | 0.569 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63 | -45.3 | 175.6 | -179.8 | -96.6 | 0 | 0 | 0 | 112 | S87 S88 Q89 N93 K94 Q95 | S87-Y91 WeakPolarHBondContact O-CB 3.34Å; S87-Y91 PolarHBondContact O-N 3.14Å; S88-Y91 PolarHBondContact O-N 3.18Å; Q89-Y91 VanDerWaalsContact C-N 3.33Å; Q89-Y91 PolarHBondContact O-N 2.99Å; Y91-N93 VanDerWaalsContact C-N 3.31Å; Y91-N93 PolarHBondContact O-N 3.14Å; Y91-K94 PolarHBondContact O-N 3.36Å; Y91-Q95 HydrophobicContact CD1-CG 4.24Å; Y91-Q95 HydrophobicContact CE1-CG 3.85Å; Y91-Q95 WeakPolarHBondContact O-CG 3.46Å; Y91-Q95 PolarHBondContact O-N 3Å; Y91-Q95 PolarHBondContact OH-NE2 2.81Å |
| 92 | R | 98.3 | Very high | 95.9 | Very high | 136 Ų | 136 | 100.2 Ų | 100.2 | 51% | 0.513 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.9 | -42.7 | 173.4 | -76.3 | -169 | -171.9 | 110.9 | 2.5 | 111.8 | S88 Q89 K94 Q95 L96 | S88-R92 PolarHBondContact O-N 3.04Å; Q89-R92 PolarHBondContact O-N 3.33Å; R92-K94 VanDerWaalsContact C-N 3.33Å; R92-K94 PolarHBondContact O-N 2.94Å; R92-Q95 WeakPolarHBondContact O-CB 3.34Å; R92-Q95 PolarHBondContact O-N 3.44Å; R92-L96 WeakPolarHBondContact O-CG 2.88Å; R92-L96 PolarHBondContact O-N 3.44Å |
| 93 | N | 98.2 | Very high | 96.7 | Very high | 94 Ų | 94 | 99.5 Ų | 99.5 | 50% | 0.503 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.5 | -42.4 | 179.2 | -167.8 | -91.2 | 0 | 0 | 0 | 111.3 | Q89 L90 Y91 Q95 L96 Q97 | Q89-N93 WeakPolarHBondContact O-CB 3.48Å; Q89-N93 PolarHBondContact O-N 3.47Å; L90-N93 PolarHBondContact O-N 3.01Å; Y91-N93 VanDerWaalsContact C-N 3.31Å; Y91-N93 PolarHBondContact O-N 3.14Å; N93-Q95 PolarHBondContact O-N 2.9Å; N93-L96 PolarHBondContact O-N 3.3Å; N93-Q97 WeakPolarHBondContact O-CB 3.43Å; N93-Q97 PolarHBondContact O-N 3Å |
| 94 | K | 98.1 | Very high | 97.3 | Very high | 117 Ų | 117 | 98.8 Ų | 98.8 | 51% | 0.509 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.7 | -47.1 | 173 | -171 | -174.3 | 179.8 | -123.3 | 0 | 112.1 | L90 Y91 R92 L96 Q97 D98 | L90-K94 PolarHBondContact O-N 3.02Å; Y91-K94 PolarHBondContact O-N 3.36Å; R92-K94 VanDerWaalsContact C-N 3.33Å; R92-K94 PolarHBondContact O-N 2.94Å; K94-L96 VanDerWaalsContact C-N 3.3Å; K94-L96 PolarHBondContact O-N 2.95Å; K94-Q97 WeakPolarHBondContact O-CB 3.34Å; K94-Q97 PolarHBondContact O-N 3.31Å; K94-Q97 VanDerWaalsContact O-N 3.13Å; K94-D98 PolarHBondContact O-N 3.12Å |
| 95 | Q | 98.6 | Very high | 97.7 | Very high | 81 Ų | 81 | 102.6 Ų | 102.6 | 38% | 0.379 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.5 | -40.9 | 176.6 | -71.4 | -72.6 | -32.6 | 0 | 0 | 112.2 | Y91 R92 N93 Q97 D98 T99 | Y91-Q95 HydrophobicContact CD1-CG 4.24Å; Y91-Q95 HydrophobicContact CE1-CG 3.85Å; Y91-Q95 WeakPolarHBondContact O-CG 3.46Å; Y91-Q95 PolarHBondContact O-N 3Å; Y91-Q95 PolarHBondContact OH-NE2 2.81Å; R92-Q95 WeakPolarHBondContact O-CB 3.34Å; R92-Q95 PolarHBondContact O-N 3.44Å; N93-Q95 PolarHBondContact O-N 2.9Å; Q95-Q97 VanDerWaalsContact C-N 3.34Å; Q95-D98 PolarHBondContact O-N 3.12Å; Q95-T99 WeakPolarHBondContact O-CB 3.46Å; Q95-T99 PolarHBondContact O-N 2.85Å; Q95-T99 PolarHBondContact O-OG1 2.7Å |
| 96 | L | 98.8 | Very high | 97.9 | Very high | 117 Ų | 117 | 101.7 Ų | 101.7 | 61% | 0.613 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.2 | -38.2 | 175.7 | -71.1 | 173.1 | 0 | 0 | 0 | 111.7 | R92 N93 K94 T99 L100 | R92-L96 WeakPolarHBondContact O-CG 2.88Å; R92-L96 PolarHBondContact O-N 3.44Å; N93-L96 PolarHBondContact O-N 3.3Å; K94-L96 VanDerWaalsContact C-N 3.3Å; K94-L96 PolarHBondContact O-N 2.95Å; L96-T99 PolarHBondContact O-N 2.8Å; L96-L100 VanDerWaalsContact O-CB 3.28Å; L96-L100 WeakPolarHBondContact O-CB 3.43Å; L96-L100 PolarHBondContact O-N 3.38Å |
| 97 | Q | 98.6 | Very high | 98.1 | Very high | 118 Ų | 118 | 100.5 Ų | 100.5 | 55% | 0.551 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.8 | -45.1 | 176.2 | -169.8 | 164.6 | 24.4 | 0 | 0 | 111.5 | N93 K94 Q95 T99 L100 V101 | N93-Q97 WeakPolarHBondContact O-CB 3.43Å; N93-Q97 PolarHBondContact O-N 3Å; K94-Q97 WeakPolarHBondContact O-CB 3.34Å; K94-Q97 PolarHBondContact O-N 3.31Å; K94-Q97 VanDerWaalsContact O-N 3.13Å; Q95-Q97 VanDerWaalsContact C-N 3.34Å; Q97-T99 VanDerWaalsContact C-N 3.3Å; Q97-T99 PolarHBondContact O-N 2.89Å; Q97-L100 PolarHBondContact O-N 3.33Å; Q97-V101 WeakPolarHBondContact O-CG2 3.25Å; Q97-V101 PolarHBondContact O-N 2.88Å |
| 98 | D | 98.6 | Very high | 98.3 | Very high | 80 Ų | 80 | 99.7 Ų | 99.7 | 43% | 0.428 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.4 | -43.3 | 174.5 | -66.2 | -20.7 | 0 | 0 | 0 | 110.6 | K94 Q95 V101 Q102 | K94-D98 PolarHBondContact O-N 3.12Å; Q95-D98 PolarHBondContact O-N 3.12Å; D98-V101 PolarHBondContact O-N 3.19Å; D98-Q102 PolarHBondContact O-N 2.96Å; D98-Q102 VanDerWaalsContact O-N 3.08Å |
| 99 | T | 98.6 | Very high | 98.4 | Very high | 65 Ų | 65 | 104.7 Ų | 104.7 | 40% | 0.399 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.6 | -39.4 | 176.8 | -56.5 | 0 | 0 | 0 | 0 | 112.2 | Q95 L96 Q97 Q102 K103 | Q95-T99 WeakPolarHBondContact O-CB 3.46Å; Q95-T99 PolarHBondContact O-N 2.85Å; Q95-T99 PolarHBondContact O-OG1 2.7Å; L96-T99 PolarHBondContact O-N 2.8Å; Q97-T99 VanDerWaalsContact C-N 3.3Å; Q97-T99 PolarHBondContact O-N 2.89Å; T99-Q102 PolarHBondContact O-N 3.45Å; T99-K103 VanDerWaalsContact O-CG 3.28Å; T99-K103 WeakPolarHBondContact O-CG 3.33Å; T99-K103 PolarHBondContact O-N 2.99Å |
| 100 | L | 98.7 | Very high | 98.5 | Very high | 99 Ų | 99 | 103.6 Ų | 103.6 | 52% | 0.518 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.3 | -48.2 | 178.4 | 177.5 | 63.2 | 0 | 0 | 0 | 110.5 | L96 Q97 Q102 K103 E104 | L96-L100 VanDerWaalsContact O-CB 3.28Å; L96-L100 WeakPolarHBondContact O-CB 3.43Å; L96-L100 PolarHBondContact O-N 3.38Å; Q97-L100 PolarHBondContact O-N 3.33Å; L100-Q102 VanDerWaalsContact C-N 3.31Å; L100-Q102 PolarHBondContact O-N 2.89Å; L100-K103 CarbonylContact O-C 3.59Å; L100-K103 WeakPolarHBondContact O-CA 2.93Å; L100-K103 WeakPolarHBondContact O-CB 3.49Å; L100-K103 PolarHBondContact O-N 2.9Å; L100-E104 WeakPolarHBondContact O-CG 3.34Å; L100-E104 PolarHBondContact O-N 2.75Å |
| 101 | V | 98.6 | Very high | 98.5 | Very high | 66 Ų | 66 | 103.5 Ų | 103.5 | 40% | 0.4 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.4 | -45.2 | 176.8 | 172.5 | 0 | 0 | 0 | 0 | 110.6 | Q97 D98 K103 E104 E105 | Q97-V101 WeakPolarHBondContact O-CG2 3.25Å; Q97-V101 PolarHBondContact O-N 2.88Å; D98-V101 PolarHBondContact O-N 3.19Å; V101-K103 VanDerWaalsContact C-N 3.26Å; V101-K103 PolarHBondContact O-N 3.48Å; V101-E104 PolarHBondContact O-N 2.8Å; V101-E104 VanDerWaalsContact O-N 3.17Å; V101-E105 PolarHBondContact O-N 2.82Å |
| 102 | Q | 98.8 | Very high | 98.5 | Very high | 121 Ų | 121 | 102.3 Ų | 102.3 | 57% | 0.565 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -58.4 | -38.9 | 175.2 | -175.6 | -174.2 | -21.6 | 0 | 0 | 112.3 | D98 T99 L100 E106 | D98-Q102 PolarHBondContact O-N 2.96Å; D98-Q102 VanDerWaalsContact O-N 3.08Å; T99-Q102 PolarHBondContact O-N 3.45Å; L100-Q102 VanDerWaalsContact C-N 3.31Å; L100-Q102 PolarHBondContact O-N 2.89Å; Q102-E106 PolarHBondContact O-N 2.81Å; Q102-E106 VanDerWaalsContact O-N 3.08Å |
| 103 | K | 98.6 | Very high | 98.5 | Very high | 101 Ų | 101 | 100.9 Ų | 100.9 | 44% | 0.439 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -71.7 | -34.9 | 177.9 | -70.9 | -73.2 | 160.4 | -162.6 | 0 | 112.5 | T99 L100 V101 E106 L107 | T99-K103 VanDerWaalsContact O-CG 3.28Å; T99-K103 WeakPolarHBondContact O-CG 3.33Å; T99-K103 PolarHBondContact O-N 2.99Å; L100-K103 CarbonylContact O-C 3.59Å; L100-K103 WeakPolarHBondContact O-CA 2.93Å; L100-K103 WeakPolarHBondContact O-CB 3.49Å; L100-K103 PolarHBondContact O-N 2.9Å; V101-K103 VanDerWaalsContact C-N 3.26Å; V101-K103 PolarHBondContact O-N 3.48Å; K103-E106 IonicContact NZ-OE2 3.82Å; K103-E106 PolarHBondContact NZ-OE2 2.9Å; K103-E106 PolarHBondContact O-N 2.7Å; K103-L107 WeakPolarHBondContact O-CB 3.1Å; K103-L107 VanDerWaalsContact O-CG 3.31Å; K103-L107 WeakPolarHBondContact O-CG 3.41Å; K103-L107 PolarHBondContact O-N 2.96Å |
| 104 | E | 98.4 | Very high | 98.6 | Very high | 109 Ų | 109 | 100 Ų | 100 | 51% | 0.509 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64 | -41.8 | 173.5 | -71.6 | 176.7 | 177.1 | 0 | 0 | 111.7 | L100 V101 L107 A108 | L100-E104 WeakPolarHBondContact O-CG 3.34Å; L100-E104 PolarHBondContact O-N 2.75Å; V101-E104 PolarHBondContact O-N 2.8Å; V101-E104 VanDerWaalsContact O-N 3.17Å; E104-L107 PolarHBondContact O-N 3.21Å; E104-A108 PolarHBondContact O-N 2.89Å |
| 105 | E | 98.4 | Very high | 98.6 | Very high | 131 Ų | 131 | 98.4 Ų | 98.4 | 61% | 0.612 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -63.7 | -43.2 | 174 | -69.7 | 178.6 | 177.3 | 0 | 0 | 112.2 | V101 L107 A108 R109 | V101-E105 PolarHBondContact O-N 2.82Å; E105-L107 VanDerWaalsContact C-N 3.33Å; E105-L107 PolarHBondContact O-N 2.85Å; E105-A108 PolarHBondContact O-N 3.31Å; E105-R109 PolarHBondContact O-N 2.85Å |
| 106 | E | 98.4 | Very high | 98.6 | Very high | 67 Ų | 67 | 99.3 Ų | 99.3 | 31% | 0.313 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.2 | -42 | 175.6 | -179.9 | 170.6 | -155.2 | 0 | 0 | 111.6 | Q102 K103 R109 L110 | Q102-E106 PolarHBondContact O-N 2.81Å; Q102-E106 VanDerWaalsContact O-N 3.08Å; K103-E106 IonicContact NZ-OE2 3.82Å; K103-E106 PolarHBondContact NZ-OE2 2.9Å; K103-E106 PolarHBondContact O-N 2.7Å; E106-R109 PolarHBondContact O-N 3.21Å; E106-R109 IonicContact OE1-NH2 3.57Å; E106-L110 HydrophobicContact CG-CD1 4.29Å; E106-L110 WeakPolarHBondContact O-CG 3.47Å; E106-L110 PolarHBondContact O-N 3.24Å |
| 107 | L | 98.6 | Very high | 98.5 | Very high | 98 Ų | 98 | 98.4 Ų | 98.4 | 51% | 0.513 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63 | -42.4 | 174.6 | -77.5 | 170.3 | 0 | 0 | 0 | 111.9 | K103 E104 E105 R109 L110 H111 | K103-L107 WeakPolarHBondContact O-CB 3.1Å; K103-L107 VanDerWaalsContact O-CG 3.31Å; K103-L107 WeakPolarHBondContact O-CG 3.41Å; K103-L107 PolarHBondContact O-N 2.96Å; E104-L107 PolarHBondContact O-N 3.21Å; E105-L107 VanDerWaalsContact C-N 3.33Å; E105-L107 PolarHBondContact O-N 2.85Å; L107-R109 VanDerWaalsContact C-N 3.35Å; L107-R109 PolarHBondContact O-N 3.33Å; L107-L110 PolarHBondContact O-N 3.46Å; L107-H111 WeakPolarHBondContact O-CB 3.35Å; L107-H111 PolarHBondContact O-CD2 2.92Å; L107-H111 VanDerWaalsContact O-CD2 3.27Å; L107-H111 PolarHBondContact O-N 2.86Å |
| 108 | A | 98.4 | Very high | 98.5 | Very high | 62 Ų | 62 | 100.1 Ų | 100.1 | 51% | 0.512 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.7 | -45.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | E104 E105 L110 H111 E112 | E104-A108 PolarHBondContact O-N 2.89Å; E105-A108 PolarHBondContact O-N 3.31Å; A108-L110 PolarHBondContact O-N 2.83Å; A108-H111 PolarHBondContact O-N 3.36Å; A108-E112 PolarHBondContact O-N 3.2Å |
| 109 | R | 98.8 | Very high | 98.5 | Very high | 149 Ų | 149 | 101.4 Ų | 101.4 | 56% | 0.562 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.2 | -44.4 | 175.7 | -174.6 | -172.2 | 63.7 | -179.9 | -3.5 | 112.2 | E105 E106 L107 E112 E113 | E105-R109 PolarHBondContact O-N 2.85Å; E106-R109 PolarHBondContact O-N 3.21Å; E106-R109 IonicContact OE1-NH2 3.57Å; L107-R109 VanDerWaalsContact C-N 3.35Å; L107-R109 PolarHBondContact O-N 3.33Å; R109-E112 PolarHBondContact O-N 3.25Å; R109-E113 PolarHBondContact O-N 3.48Å |
| 110 | L | 98.8 | Very high | 98.4 | Very high | 83 Ų | 83 | 106 Ų | 106 | 44% | 0.435 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.2 | -37.5 | 178 | -74.6 | 173.5 | 0 | 0 | 0 | 112.3 | E106 L107 A108 E112 E113 N114 | E106-L110 HydrophobicContact CG-CD1 4.29Å; E106-L110 WeakPolarHBondContact O-CG 3.47Å; E106-L110 PolarHBondContact O-N 3.24Å; L107-L110 PolarHBondContact O-N 3.46Å; A108-L110 PolarHBondContact O-N 2.83Å; L110-E112 VanDerWaalsContact C-N 3.34Å; L110-E113 PolarHBondContact O-N 3.42Å; L110-N114 WeakPolarHBondContact O-CB 3.09Å; L110-N114 PolarHBondContact O-N 3.46Å |
| 111 | H | 98.6 | Very high | 98.4 | Very high | 135 Ų | 135 | 106.5 Ų | 106.5 | 63% | 0.625 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.1 | -42.6 | 174 | -92.7 | -68.5 | 0 | 0 | 0 | 111.8 | L107 A108 N114 N115 | L107-H111 WeakPolarHBondContact O-CB 3.35Å; L107-H111 PolarHBondContact O-CD2 2.92Å; L107-H111 VanDerWaalsContact O-CD2 3.27Å; L107-H111 PolarHBondContact O-N 2.86Å; A108-H111 PolarHBondContact O-N 3.36Å; H111-N114 PolarHBondContact O-N 3.46Å; H111-N115 PolarHBondContact O-N 2.95Å |
| 112 | E | 98.4 | Very high | 98.3 | Very high | 119 Ų | 119 | 108.1 Ų | 108.1 | 56% | 0.556 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.9 | -48 | 175.1 | 179.6 | 171.2 | -154.9 | 0 | 0 | 111.5 | A108 R109 L110 N114 N115 H116 | A108-E112 PolarHBondContact O-N 3.2Å; R109-E112 PolarHBondContact O-N 3.25Å; L110-E112 VanDerWaalsContact C-N 3.34Å; E112-N114 VanDerWaalsContact C-N 3.34Å; E112-N114 PolarHBondContact O-N 3.39Å; E112-N115 WeakPolarHBondContact O-CB 3.44Å; E112-N115 PolarHBondContact O-N 3.39Å; E112-N115 VanDerWaalsContact O-N 3.15Å; E112-H116 WeakPolarHBondContact CG-CE1 3.36Å; E112-H116 WeakPolarHBondContact CG-ND1 3.43Å; E112-H116 PolarHBondContact O-N 2.86Å; E112-H116 PolarHBondContact O-ND1 2.9Å; E112-H116 IonicContact OE1-CE1 2.75Å |
| 113 | E | 98.4 | Very high | 98.2 | Very high | 107 Ų | 107 | 105 Ų | 105 | 50% | 0.5 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.9 | -42.2 | 176.4 | -173.1 | -180 | 172.2 | 0 | 0 | 111.8 | R109 L110 N115 H116 L117 | R109-E113 PolarHBondContact O-N 3.48Å; L110-E113 PolarHBondContact O-N 3.42Å; E113-N115 VanDerWaalsContact C-N 3.25Å; E113-N115 PolarHBondContact O-N 3.47Å; E113-H116 WeakPolarHBondContact O-CB 3.26Å; E113-H116 PolarHBondContact O-N 2.95Å; E113-H116 VanDerWaalsContact O-N 3.14Å; E113-L117 HydrophobicContact CG-CD1 4.37Å; E113-L117 WeakPolarHBondContact O-CG 3.47Å; E113-L117 PolarHBondContact O-N 2.83Å |
| 114 | N | 98.5 | Very high | 98 | Very high | 74 Ų | 74 | 102.5 Ų | 102.5 | 40% | 0.396 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.8 | -39.3 | 176.1 | -162.6 | -92.8 | 0 | 0 | 0 | 111.5 | L110 H111 E112 L117 R118 | L110-N114 WeakPolarHBondContact O-CB 3.09Å; L110-N114 PolarHBondContact O-N 3.46Å; H111-N114 PolarHBondContact O-N 3.46Å; E112-N114 VanDerWaalsContact C-N 3.34Å; E112-N114 PolarHBondContact O-N 3.39Å; N114-L117 PolarHBondContact O-N 3.18Å; N114-R118 VanDerWaalsContact O-CG 3.28Å; N114-R118 WeakPolarHBondContact O-CG 3.24Å; N114-R118 PolarHBondContact O-N 2.91Å; N114-R118 PolarHBondContact OD1-NE 2.93Å; N114-R118 PolarHBondContact OD1-NH2 2.91Å |
| 115 | N | 98.5 | Very high | 97.9 | Very high | 84 Ų | 84 | 101.7 Ų | 101.7 | 45% | 0.449 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.5 | -44.8 | 175 | -167.5 | 23.5 | 0 | 0 | 0 | 111.5 | H111 E112 E113 L117 R118 Q119 | H111-N115 PolarHBondContact O-N 2.95Å; E112-N115 WeakPolarHBondContact O-CB 3.44Å; E112-N115 PolarHBondContact O-N 3.39Å; E112-N115 VanDerWaalsContact O-N 3.15Å; E113-N115 VanDerWaalsContact C-N 3.25Å; E113-N115 PolarHBondContact O-N 3.47Å; N115-L117 VanDerWaalsContact C-N 3.33Å; N115-L117 PolarHBondContact O-N 3.49Å; N115-R118 WeakPolarHBondContact O-CB 3.27Å; N115-R118 PolarHBondContact O-N 2.94Å; N115-Q119 WeakPolarHBondContact O-CG 3.36Å; N115-Q119 PolarHBondContact O-N 2.98Å |
| 116 | H | 98.3 | Very high | 97.7 | Very high | 101 Ų | 101 | 99.7 Ų | 99.7 | 47% | 0.468 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -58.3 | -43.6 | 174.8 | -74.8 | 94.4 | 0 | 0 | 0 | 112.1 | E112 E113 R118 Q119 Y120 | E112-H116 WeakPolarHBondContact CG-CE1 3.36Å; E112-H116 WeakPolarHBondContact CG-ND1 3.43Å; E112-H116 PolarHBondContact O-N 2.86Å; E112-H116 PolarHBondContact O-ND1 2.9Å; E112-H116 IonicContact OE1-CE1 2.75Å; E113-H116 WeakPolarHBondContact O-CB 3.26Å; E113-H116 PolarHBondContact O-N 2.95Å; E113-H116 VanDerWaalsContact O-N 3.14Å; H116-R118 PolarHBondContact O-N 2.88Å; H116-Q119 PolarHBondContact O-N 3.22Å; H116-Y120 WeakPolarHBondContact O-CB 3.36Å; H116-Y120 PolarHBondContact O-N 3.06Å |
| 117 | L | 98.5 | Very high | 97.5 | Very high | 97 Ų | 97 | 102.8 Ų | 102.8 | 51% | 0.508 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.8 | -40.8 | 176.8 | -71 | 173.2 | 0 | 0 | 0 | 112.1 | E113 N114 N115 Y120 L121 | E113-L117 HydrophobicContact CG-CD1 4.37Å; E113-L117 WeakPolarHBondContact O-CG 3.47Å; E113-L117 PolarHBondContact O-N 2.83Å; N114-L117 PolarHBondContact O-N 3.18Å; N115-L117 VanDerWaalsContact C-N 3.33Å; N115-L117 PolarHBondContact O-N 3.49Å; L117-Y120 PolarHBondContact O-N 3.5Å; L117-L121 WeakPolarHBondContact O-CB 3.39Å; L117-L121 PolarHBondContact O-N 3.44Å |
| 118 | R | 97.8 | Very high | 97.2 | Very high | 155 Ų | 155 | 101.2 Ų | 101.2 | 59% | 0.585 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.3 | -44.8 | 174.1 | -73 | 169.9 | -175.6 | -99.7 | 0.6 | 111.5 | N114 N115 H116 L121 N122 | N114-R118 VanDerWaalsContact O-CG 3.28Å; N114-R118 WeakPolarHBondContact O-CG 3.24Å; N114-R118 PolarHBondContact O-N 2.91Å; N114-R118 PolarHBondContact OD1-NE 2.93Å; N114-R118 PolarHBondContact OD1-NH2 2.91Å; N115-R118 WeakPolarHBondContact O-CB 3.27Å; N115-R118 PolarHBondContact O-N 2.94Å; H116-R118 PolarHBondContact O-N 2.88Å; R118-L121 PolarHBondContact O-N 2.87Å; R118-N122 WeakPolarHBondContact O-CB 3.28Å; R118-N122 VanDerWaalsContact O-CG 3.23Å; R118-N122 PolarHBondContact O-N 3.15Å; R118-N122 PolarHBondContact O-ND2 3.18Å |
| 119 | Q | 97.9 | Very high | 96.9 | Very high | 107 Ų | 107 | 103.1 Ų | 103.1 | 50% | 0.5 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.6 | -42.9 | 176.3 | -70.3 | 177 | 7.4 | 0 | 0 | 111.6 | N115 H116 N122 S123 | N115-Q119 WeakPolarHBondContact O-CG 3.36Å; N115-Q119 PolarHBondContact O-N 2.98Å; H116-Q119 PolarHBondContact O-N 3.22Å; Q119-N122 PolarHBondContact O-N 3.4Å; Q119-S123 VanDerWaalsContact O-CB 3.25Å; Q119-S123 WeakPolarHBondContact O-CB 3.41Å; Q119-S123 PolarHBondContact O-N 2.92Å |
| 120 | Y | 97.9 | Very high | 96.6 | Very high | 161 Ų | 161 | 100.6 Ų | 100.6 | 63% | 0.631 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.4 | -46.8 | 175.8 | 178 | -97.8 | 0 | 0 | 0 | 111.8 | H116 L117 N122 S123 T124 | H116-Y120 WeakPolarHBondContact O-CB 3.36Å; H116-Y120 PolarHBondContact O-N 3.06Å; L117-Y120 PolarHBondContact O-N 3.5Å; Y120-N122 PolarHBondContact O-N 2.93Å; Y120-S123 PolarHBondContact O-N 2.88Å; Y120-T124 HydrophobicContact CD1-CG2 4.15Å; Y120-T124 HydrophobicContact CD2-CG2 4.18Å; Y120-T124 HydrophobicContact CE1-CG2 3.71Å; Y120-T124 HydrophobicContact CE2-CG2 3.76Å; Y120-T124 HydrophobicContact CG-CG2 4.37Å; Y120-T124 WeakPolarHBondContact O-CB 3.48Å; Y120-T124 VanDerWaalsContact O-CG2 3.32Å; Y120-T124 WeakPolarHBondContact O-CG2 3.39Å; Y120-T124 PolarHBondContact O-N 3.36Å; Y120-T124 PolarHBondContact O-OG1 2.83Å |
| 121 | L | 97.4 | Very high | 96.3 | Very high | 110 Ų | 110 | 101 Ų | 101 | 58% | 0.576 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.8 | -45 | 177.6 | -178 | 63.8 | 0 | 0 | 0 | 111.6 | L117 R118 T124 L125 | L117-L121 WeakPolarHBondContact O-CB 3.39Å; L117-L121 PolarHBondContact O-N 3.44Å; R118-L121 PolarHBondContact O-N 2.87Å; L121-T124 WeakPolarHBondContact CA-OG1 3.28Å; L121-T124 PolarHBondContact O-N 2.82Å; L121-T124 PolarHBondContact O-OG1 3.32Å; L121-L125 VanDerWaalsContact O-CB 3.24Å; L121-L125 WeakPolarHBondContact O-CB 3.39Å; L121-L125 PolarHBondContact O-N 2.85Å |
| 122 | N | 96.4 | Very high | 96 | Very high | 100 Ų | 100 | 100.8 Ų | 100.8 | 54% | 0.535 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.6 | -45.1 | 177 | -72.8 | -27.1 | 0 | 0 | 0 | 111.2 | R118 Q119 Y120 L125 V126 | R118-N122 WeakPolarHBondContact O-CB 3.28Å; R118-N122 VanDerWaalsContact O-CG 3.23Å; R118-N122 PolarHBondContact O-N 3.15Å; R118-N122 PolarHBondContact O-ND2 3.18Å; Q119-N122 PolarHBondContact O-N 3.4Å; Y120-N122 PolarHBondContact O-N 2.93Å; N122-L125 PolarHBondContact O-N 3.21Å; N122-V126 WeakPolarHBondContact O-CB 3.06Å; N122-V126 WeakPolarHBondContact O-CG2 3.4Å; N122-V126 PolarHBondContact O-N 3.47Å |
| 123 | S | 96.4 | Very high | 95.7 | Very high | 54 Ų | 54 | 97.3 Ų | 97.3 | 38% | 0.378 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.9 | -45.1 | 178.2 | -175.5 | 0 | 0 | 0 | 0 | 112.2 | Q119 Y120 V126 K127 | Q119-S123 VanDerWaalsContact O-CB 3.25Å; Q119-S123 WeakPolarHBondContact O-CB 3.41Å; Q119-S123 PolarHBondContact O-N 2.92Å; Y120-S123 PolarHBondContact O-N 2.88Å; S123-V126 PolarHBondContact O-N 3.49Å; S123-K127 WeakPolarHBondContact O-CB 3.37Å; S123-K127 VanDerWaalsContact O-CG 3.29Å; S123-K127 WeakPolarHBondContact O-CG 3.25Å; S123-K127 PolarHBondContact O-N 2.72Å |
| 124 | T | 95.3 | Very high | 95.4 | Very high | 49 Ų | 49 | 96.5 Ų | 96.5 | 30% | 0.301 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67.2 | -41.3 | 178.5 | 50.1 | 0 | 0 | 0 | 0 | 112.3 | Y120 L121 K127 C128 | Y120-T124 HydrophobicContact CD1-CG2 4.15Å; Y120-T124 HydrophobicContact CD2-CG2 4.18Å; Y120-T124 HydrophobicContact CE1-CG2 3.71Å; Y120-T124 HydrophobicContact CE2-CG2 3.76Å; Y120-T124 HydrophobicContact CG-CG2 4.37Å; Y120-T124 WeakPolarHBondContact O-CB 3.48Å; Y120-T124 VanDerWaalsContact O-CG2 3.32Å; Y120-T124 WeakPolarHBondContact O-CG2 3.39Å; Y120-T124 PolarHBondContact O-N 3.36Å; Y120-T124 PolarHBondContact O-OG1 2.83Å; L121-T124 WeakPolarHBondContact CA-OG1 3.28Å; L121-T124 PolarHBondContact O-N 2.82Å; L121-T124 PolarHBondContact O-OG1 3.32Å; T124-K127 PolarHBondContact O-N 3.16Å; T124-C128 WeakPolarHBondContact O-CB 3.32Å; T124-C128 PolarHBondContact O-N 3.33Å |
| 125 | L | 95.7 | Very high | 95.1 | Very high | 92 Ų | 92 | 100 Ų | 100 | 48% | 0.482 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.9 | -49.3 | 174.7 | 178.3 | 62.6 | 0 | 0 | 0 | 111.2 | L121 N122 K127 C128 L129 | L121-L125 VanDerWaalsContact O-CB 3.24Å; L121-L125 WeakPolarHBondContact O-CB 3.39Å; L121-L125 PolarHBondContact O-N 2.85Å; N122-L125 PolarHBondContact O-N 3.21Å; L125-K127 PolarHBondContact O-N 3.01Å; L125-C128 PolarHBondContact O-N 3.01Å; L125-L129 HydrophobicContact CD1-CD1 4.19Å; L125-L129 HydrophobicContact CD1-CG 4.22Å; L125-L129 HydrophobicContact CG-CD1 4.08Å; L125-L129 HydrophobicContact CG-CG 4.49Å; L125-L129 WeakPolarHBondContact O-CG 3.29Å; L125-L129 PolarHBondContact O-N 3.29Å |
| 126 | V | 94.6 | Very high | 94.7 | Very high | 89 Ų | 89 | 101.8 Ų | 101.8 | 54% | 0.539 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.9 | -48.1 | 178.4 | 169.3 | 0 | 0 | 0 | 0 | 110.5 | N122 S123 C128 L129 E130 | N122-V126 WeakPolarHBondContact O-CB 3.06Å; N122-V126 WeakPolarHBondContact O-CG2 3.4Å; N122-V126 PolarHBondContact O-N 3.47Å; S123-V126 PolarHBondContact O-N 3.49Å; V126-C128 VanDerWaalsContact C-N 3.33Å; V126-C128 PolarHBondContact O-N 3.46Å; V126-L129 PolarHBondContact O-N 3.2Å; V126-E130 WeakPolarHBondContact O-CB 3.19Å; V126-E130 PolarHBondContact O-N 3.41Å |
| 127 | K | 95.1 | Very high | 93.8 | Very high | 132 Ų | 132 | 104.4 Ų | 104.4 | 57% | 0.574 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -58.6 | -43.1 | 175.6 | -75.6 | 176.8 | -179.4 | 178.8 | 0 | 112.2 | S123 T124 L125 E130 E131 | S123-K127 WeakPolarHBondContact O-CB 3.37Å; S123-K127 VanDerWaalsContact O-CG 3.29Å; S123-K127 WeakPolarHBondContact O-CG 3.25Å; S123-K127 PolarHBondContact O-N 2.72Å; T124-K127 PolarHBondContact O-N 3.16Å; L125-K127 PolarHBondContact O-N 3.01Å; K127-E130 PolarHBondContact O-N 3Å; K127-E131 WeakPolarHBondContact O-CB 3.42Å; K127-E131 WeakPolarHBondContact O-CG 3.4Å; K127-E131 PolarHBondContact O-N 3.15Å |
| 128 | C | 92.3 | Very high | 92.8 | Very high | 65 Ų | 65 | 104.6 Ų | 104.6 | 44% | 0.439 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.7 | -42.7 | 178.2 | -172.6 | 0 | 0 | 0 | 0 | 112.1 | T124 L125 V126 K132 | T124-C128 WeakPolarHBondContact O-CB 3.32Å; T124-C128 PolarHBondContact O-N 3.33Å; L125-C128 PolarHBondContact O-N 3.01Å; V126-C128 VanDerWaalsContact C-N 3.33Å; V126-C128 PolarHBondContact O-N 3.46Å; C128-K132 WeakPolarHBondContact O-CB 3.41Å; C128-K132 WeakPolarHBondContact O-CG 3.47Å; C128-K132 PolarHBondContact O-N 2.9Å |
| 129 | L | 92.4 | Very high | 91.4 | Very high | 103 Ų | 103 | 98.7 Ų | 98.7 | 54% | 0.539 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.2 | -42.1 | 176.7 | -70.5 | 175 | 0 | 0 | 0 | 111.5 | L125 V126 K132 A133 | L125-L129 HydrophobicContact CD1-CD1 4.19Å; L125-L129 HydrophobicContact CD1-CG 4.22Å; L125-L129 HydrophobicContact CG-CD1 4.08Å; L125-L129 HydrophobicContact CG-CG 4.49Å; L125-L129 WeakPolarHBondContact O-CG 3.29Å; L125-L129 PolarHBondContact O-N 3.29Å; V126-L129 PolarHBondContact O-N 3.2Å; L129-K132 PolarHBondContact O-N 3.14Å; L129-A133 WeakPolarHBondContact O-CB 3.39Å; L129-A133 PolarHBondContact O-N 2.94Å |
| 130 | E | 91.6 | Very high | 89.4 | Confident | 96 Ų | 96 | 97.9 Ų | 97.9 | 45% | 0.449 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.8 | -46.4 | 176.7 | -167.9 | -170.2 | 152.9 | 0 | 0 | 111.3 | V126 K127 K132 A133 K134 | V126-E130 WeakPolarHBondContact O-CB 3.19Å; V126-E130 PolarHBondContact O-N 3.41Å; K127-E130 PolarHBondContact O-N 3Å; E130-K132 VanDerWaalsContact C-N 3.35Å; E130-K132 PolarHBondContact O-N 2.83Å; E130-A133 PolarHBondContact O-N 3.22Å; E130-K134 WeakPolarHBondContact O-CG 3.35Å; E130-K134 PolarHBondContact O-N 3.4Å; E130-K134 WeakPolarHBondContact OE1-CE 3.45Å; E130-K134 IonicContact OE1-NZ 2.76Å; E130-K134 PolarHBondContact OE1-NZ 3.43Å |
| 131 | E | 92.6 | Very high | 87.5 | Confident | 91 Ų | 91 | 97.6 Ų | 97.6 | 43% | 0.425 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.8 | -37.8 | 176.5 | -72.1 | -55.8 | 122.8 | 0 | 0 | 112.3 | K127 K134 K135 | K127-E131 WeakPolarHBondContact O-CB 3.42Å; K127-E131 WeakPolarHBondContact O-CG 3.4Å; K127-E131 PolarHBondContact O-N 3.15Å; E131-K134 PolarHBondContact O-N 3.5Å; E131-K134 WeakPolarHBondContact OE1-CD 3.34Å; E131-K134 IonicContact OE1-NZ 2.72Å; E131-K134 PolarHBondContact OE1-NZ 2.87Å; E131-K135 WeakPolarHBondContact O-CB 3.43Å; E131-K135 VanDerWaalsContact O-CG 3.27Å; E131-K135 WeakPolarHBondContact O-CG 3.39Å; E131-K135 PolarHBondContact O-N 2.88Å |
| 132 | K | 92.9 | Very high | 85.4 | Confident | 131 Ų | 131 | 98.8 Ų | 98.8 | 57% | 0.57 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.9 | -42.7 | 172.1 | -79.4 | -175.3 | 173.5 | -179.7 | 0 | 111.6 | C128 L129 E130 K135 L136 | C128-K132 WeakPolarHBondContact O-CB 3.41Å; C128-K132 WeakPolarHBondContact O-CG 3.47Å; C128-K132 PolarHBondContact O-N 2.9Å; L129-K132 PolarHBondContact O-N 3.14Å; E130-K132 VanDerWaalsContact C-N 3.35Å; E130-K132 PolarHBondContact O-N 2.83Å; K132-K135 PolarHBondContact O-N 3.49Å; K132-L136 WeakPolarHBondContact O-CG 3.39Å; K132-L136 PolarHBondContact O-N 3.34Å |
| 133 | A | 90.9 | Very high | 83.4 | Confident | 45 Ų | 45 | 97.8 Ų | 97.8 | 37% | 0.372 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.4 | -45.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L129 E130 K135 L136 L137 | L129-A133 WeakPolarHBondContact O-CB 3.39Å; L129-A133 PolarHBondContact O-N 2.94Å; E130-A133 PolarHBondContact O-N 3.22Å; A133-K135 VanDerWaalsContact C-N 3.34Å; A133-K135 PolarHBondContact O-N 3.02Å; A133-L136 PolarHBondContact O-N 2.93Å; A133-L137 WeakPolarHBondContact O-CB 3.45Å; A133-L137 VanDerWaalsContact O-CG 3.26Å; A133-L137 WeakPolarHBondContact O-CG 3.36Å; A133-L137 PolarHBondContact O-N 3.46Å |
| 134 | K | 92.4 | Very high | 81.5 | Confident | 91 Ų | 91 | 102 Ų | 102 | 40% | 0.396 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -58.3 | -43.5 | 173.7 | -73 | 172.5 | -173.3 | 160 | 0 | 112 | E130 E131 L137 S138 | E130-K134 WeakPolarHBondContact O-CG 3.35Å; E130-K134 PolarHBondContact O-N 3.4Å; E130-K134 WeakPolarHBondContact OE1-CE 3.45Å; E130-K134 IonicContact OE1-NZ 2.76Å; E130-K134 PolarHBondContact OE1-NZ 3.43Å; E131-K134 PolarHBondContact O-N 3.5Å; E131-K134 WeakPolarHBondContact OE1-CD 3.34Å; E131-K134 IonicContact OE1-NZ 2.72Å; E131-K134 PolarHBondContact OE1-NZ 2.87Å; K134-L137 PolarHBondContact O-N 3.27Å; K134-S138 WeakPolarHBondContact O-CB 3.31Å; K134-S138 PolarHBondContact O-N 2.86Å |
| 135 | K | 92.6 | Very high | 79.3 | Confident | 148 Ų | 148 | 105 Ų | 105 | 64% | 0.643 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -62.3 | -41.5 | 175.5 | -75.3 | 174.6 | -177.3 | -175.9 | 0 | 112.3 | E131 K132 A133 S139 | E131-K135 WeakPolarHBondContact O-CB 3.43Å; E131-K135 VanDerWaalsContact O-CG 3.27Å; E131-K135 WeakPolarHBondContact O-CG 3.39Å; E131-K135 PolarHBondContact O-N 2.88Å; K132-K135 PolarHBondContact O-N 3.49Å; A133-K135 VanDerWaalsContact C-N 3.34Å; A133-K135 PolarHBondContact O-N 3.02Å; K135-S139 VanDerWaalsContact O-CB 3.25Å; K135-S139 WeakPolarHBondContact O-CB 3.49Å; K135-S139 PolarHBondContact O-N 3.12Å |
| 136 | L | 88.9 | Confident | 77.1 | Confident | 120 Ų | 120 | 105.1 Ų | 105.1 | 63% | 0.628 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -66.6 | -37.9 | 176.3 | -70.7 | 174.1 | 0 | 0 | 0 | 112.5 | K132 A133 | K132-L136 WeakPolarHBondContact O-CG 3.39Å; K132-L136 PolarHBondContact O-N 3.34Å; A133-L136 PolarHBondContact O-N 2.93Å |
| 137 | L | 81.2 | Confident | 74.8 | Confident | 156 Ų | 156 | 103.8 Ų | 103.8 | 82% | 0.817 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -78.6 | -29.8 | 179.7 | -67.2 | 169.8 | 0 | 0 | 0 | 113.1 | A133 K134 | A133-L137 WeakPolarHBondContact O-CB 3.45Å; A133-L137 VanDerWaalsContact O-CG 3.26Å; A133-L137 WeakPolarHBondContact O-CG 3.36Å; A133-L137 PolarHBondContact O-N 3.46Å; K134-L137 PolarHBondContact O-N 3.27Å |
| 138 | S | 76.4 | Confident | 72.7 | Confident | 102 Ų | 102 | 106 Ų | 106 | 71% | 0.713 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -85.7 | -20.1 | 178.4 | -175.4 | 0 | 0 | 0 | 0 | 113 | K134 D140 | K134-S138 WeakPolarHBondContact O-CB 3.31Å; K134-S138 PolarHBondContact O-N 2.86Å; S138-D140 PolarHBondContact O-N 3.47Å |
| 139 | S | 68.9 | Low | 70.8 | Confident | 31 Ų | 31 | 110.2 Ų | 110.2 | 22% | 0.217 | 58% | 0.584 | C | S | . | * | trans | -71.4 | 90.3 | 173.1 | -178.1 | 0 | 0 | 0 | 0 | 110.6 | K135 E141 F142 | K135-S139 VanDerWaalsContact O-CB 3.25Å; K135-S139 WeakPolarHBondContact O-CB 3.49Å; K135-S139 PolarHBondContact O-N 3.12Å; S139-E141 PolarHBondContact O-N 3.31Å; S139-F142 PolarHBondContact O-N 3.29Å; S139-F142 WeakPolarHBondContact OG-CD2 3.44Å; S139-F142 VanDerWaalsContact OG-CE2 3.23Å; S139-F142 WeakPolarHBondContact OG-CE2 3.28Å | ||
| 140 | D | 54.9 | Low | 69.1 | Low | 89 Ų | 89 | 116.3 Ų | 116.3 | 48% | 0.476 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -56.7 | -7.5 | 171.3 | -176.7 | 44.4 | 0 | 0 | 0 | 113.6 | S138 K144 | S138-D140 PolarHBondContact O-N 3.47Å; D140-K144 WeakPolarHBondContact OD2-CE 3.47Å; D140-K144 IonicContact OD2-NZ 2.7Å; D140-K144 PolarHBondContact OD2-NZ 3.02Å |
| 141 | E | 58.6 | Low | 67.4 | Low | 155 Ų | 155 | 121.3 Ų | 121.3 | 72% | 0.724 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -74.2 | -26.1 | 178.9 | -73.4 | 166.3 | 142.3 | 0 | 0 | 113.1 | S139 | S139-E141 PolarHBondContact O-N 3.31Å |
| 142 | F | 53.5 | Low | 65.1 | Low | 135 Ų | 135 | 126.2 Ų | 126.2 | 59% | 0.592 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -88.9 | -24.1 | 178.4 | -57.8 | -76.4 | 0 | 0 | 0 | 113.6 | S139 C146 | S139-F142 PolarHBondContact O-N 3.29Å; S139-F142 WeakPolarHBondContact OG-CD2 3.44Å; S139-F142 VanDerWaalsContact OG-CE2 3.23Å; S139-F142 WeakPolarHBondContact OG-CE2 3.28Å; F142-C146 PolarHBondContact O-N 3.41Å |
| 143 | S | 54.8 | Low | 63.2 | Low | 80 Ų | 80 | 128.7 Ų | 128.7 | 56% | 0.559 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -66.3 | -39.3 | 176.8 | 173.5 | 0 | 0 | 0 | 0 | 112.1 | V145 G147 | S143-V145 PolarHBondContact O-N 3.32Å; S143-G147 PolarHBondContact O-N 2.76Å |
| 144 | K | 55.4 | Low | 61.3 | Low | 141 Ų | 141 | 136.7 Ų | 136.7 | 61% | 0.613 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -73.9 | -23 | -177.6 | -69.6 | 177.4 | -173.3 | 156.8 | 0 | 114.2 | D140 | D140-K144 WeakPolarHBondContact OD2-CE 3.47Å; D140-K144 IonicContact OD2-NZ 2.7Å; D140-K144 PolarHBondContact OD2-NZ 3.02Å |
| 145 | V | 49.9 | Very low | 59.1 | Low | 114 Ų | 114 | 141.7 Ų | 141.7 | 69% | 0.691 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -86.1 | -36.2 | 178.8 | 178.3 | 0 | 0 | 0 | 0 | 111.8 | S143 | S143-V145 PolarHBondContact O-N 3.32Å |
| 146 | C | 48.3 | Very low | 56.5 | Low | 93 Ų | 93 | 140.8 Ų | 140.8 | 63% | 0.628 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -83.7 | -25.1 | -179.4 | -162.6 | 0 | 0 | 0 | 0 | 113.6 | F142 K148 L149 | F142-C146 PolarHBondContact O-N 3.41Å; C146-K148 PolarHBondContact O-N 3.41Å; C146-K148 VanDerWaalsContact O-N 3.14Å; C146-L149 PolarHBondContact O-N 2.99Å |
| 147 | G | 47.1 | Very low | 53.8 | Low | 61 Ų | 61 | 145 Ų | 145 | 63% | 0.629 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | -12.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | S143 | S143-G147 PolarHBondContact O-N 2.76Š|
| 148 | K | 50.8 | Low | 51.7 | Low | 179 Ų | 179 | 145.8 Ų | 145.8 | 78% | 0.778 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | -11.9 | -177.8 | -76.8 | -87.2 | -173.4 | 172.3 | 0 | 114.7 | C146 | C146-K148 PolarHBondContact O-N 3.41Å; C146-K148 VanDerWaalsContact O-N 3.14Å |
| 149 | L | 53.5 | Low | 49.5 | Very low | 153 Ų | 153 | 148.1 Ų | 148.1 | 80% | 0.801 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -97.2 | -0.2 | -173.8 | -68 | 175.4 | 0 | 0 | 0 | 115.3 | C146 | C146-L149 PolarHBondContact O-N 2.99Š|
| 150 | R | 55.6 | Low | 47.9 | Very low | 232 Ų | 232 | 155.6 Ų | 155.6 | 88% | 0.875 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -118.2 | 33.5 | -178.7 | -72.6 | -151.9 | -167.5 | -169.5 | 7.1 | 115 | ||
| 151 | K | 56.5 | Low | 46.8 | Very low | 200 Ų | 200 | 159.3 Ų | 159.3 | 87% | 0.87 | 76% | 0.755 | S | S | * | * | trans | -147.3 | 78.5 | 161.9 | -70.5 | -152.7 | 178.4 | -164.4 | 0 | 112.8 | ||||
| 152 | E | 43.1 | Very low | 45.7 | Very low | 194 Ų | 194 | 157.3 Ų | 157.3 | 91% | 0.907 | 76% | 0.758 | S | S | * | * | trans | -155.2 | 98.3 | 144.7 | -152.3 | 158.5 | -177.1 | 0 | 0 | 112 | ||||
| 153 | K | 54 | Low | 45.5 | Very low | 184 Ų | 184 | 156.9 Ų | 156.9 | 80% | 0.8 | 77% | 0.769 | S | S | * | * | trans | -96 | 108.8 | 163.4 | -148.2 | -171.7 | -169.2 | -178.8 | 0 | 105.3 | ||||
| 154 | R | 51.3 | Low | 44.4 | Very low | 213 Ų | 213 | 158.1 Ų | 158.1 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | 148.2 | 117.7 | 136.7 | -78.1 | 167.8 | -172.6 | 121.8 | -5.6 | 114.7 | ||||
| 155 | K | 46.5 | Very low | 43.3 | Very low | 195 Ų | 195 | 160 Ų | 160 | 85% | 0.848 | 80% | 0.795 | S | S | * | * | trans | 69.6 | 133.2 | 147 | -58.7 | -66.3 | -178.2 | 177.6 | 0 | 120.4 | ||||
| 156 | P | 37 | Very low | 42.6 | Very low | 129 Ų | 129 | 162.3 Ų | 162.3 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | trans | -87.6 | 129.5 | 171 | 33.5 | -27.6 | 0 | 0 | 0 | 110.7 | ||||
| 157 | K | 33 | Very low | 42.3 | Very low | 208 Ų | 208 | 163.1 Ų | 163.1 | 90% | 0.904 | 81% | 0.806 | S | S | * | * | trans | -128.1 | 113.8 | 159.9 | -165.9 | 163.4 | -178 | 174.1 | 0 | 108.5 | ||||
| 158 | E | 35.7 | Very low | 42 | Very low | 173 Ų | 173 | 169.5 Ų | 169.5 | 81% | 0.808 | 82% | 0.819 | S | S | * | * | trans | -66.7 | 123.2 | 175.1 | -173.7 | 177.7 | -164.3 | 0 | 0 | 109.8 | ||||
| 159 | H | 31.6 | Very low | 41.3 | Very low | 152 Ų | 152 | 166 Ų | 166 | 70% | 0.704 | 82% | 0.817 | S | S | * | * | trans | -174.6 | 116 | 138.8 | -107.1 | -64.7 | 0 | 0 | 0 | 112.7 | ||||
| 160 | R | 34.3 | Very low | 41.2 | Very low | 187 Ų | 187 | 168.8 Ų | 168.8 | 71% | 0.706 | 82% | 0.823 | S | S | * | * | trans | 14.9 | 133.2 | 150.1 | -53.1 | -174.8 | -155.3 | 175.4 | 6.4 | 120.2 | ||||
| 161 | H | 31.4 | Very low | 40.8 | Very low | 168 Ų | 168 | 163.6 Ų | 163.6 | 78% | 0.778 | 82% | 0.817 | S | S | * | * | 151.1 | 119.7 | 111.5 | -74.3 | -65.2 | 0 | 0 | 0 | 110.5 | |||||
| 162 | S | 36.4 | Very low | 40 | Very low | 113 Ų | 113 | 158.9 Ų | 158.9 | 79% | 0.79 | 82% | 0.816 | S | S | * | * | trans | -89.3 | -179.6 | 164.5 | 41.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 163 | P | 48.8 | Very low | 40.4 | Very low | 126 Ų | 126 | 158.4 Ų | 158.4 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | cis | -138 | 172.5 | 2.9 | 40 | -21.3 | 0 | 0 | 0 | 115.4 | ||||
| 164 | A | 32.3 | Very low | 40.3 | Very low | 105 Ų | 105 | 159 Ų | 159 | 87% | 0.868 | 81% | 0.807 | S | S | * | * | trans | -162.2 | 137.6 | 152.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 165 | E | 31.6 | Very low | 39.9 | Very low | 181 Ų | 181 | 154.6 Ų | 154.6 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | trans | -73 | 174.5 | -172.9 | -71 | 171.2 | 121.7 | 0 | 0 | 116 | ||||
| 166 | I | 36.8 | Very low | 39.9 | Very low | 162 Ų | 162 | 150 Ų | 150 | 83% | 0.831 | 79% | 0.785 | S | S | * | * | trans | 107.7 | 143.5 | 155.3 | -50.9 | 153.7 | 0 | 0 | 0 | 114.3 | ||||
| 167 | P | 42 | Very low | 40.6 | Very low | 110 Ų | 110 | 148 Ų | 148 | 71% | 0.714 | 77% | 0.773 | S | S | * | * | cis | -123.2 | 152 | -43.3 | 30.3 | -11.7 | 0 | 0 | 0 | 113.1 | S169 | P167-S169 PolarHBondContact O-N 3.41Å; P167-S169 VanDerWaalsContact O-N 3.14Å | ||
| 168 | Q | 40.3 | Very low | 41.1 | Very low | 196 Ų | 196 | 142.8 Ų | 142.8 | 92% | 0.916 | 76% | 0.759 | S | S | * | * | trans | -67 | 105 | 171.9 | -66 | -93.6 | -34 | 0 | 0 | 111.1 | K170 | Q168-K170 PolarHBondContact O-N 2.78Š| ||
| 169 | S | 36 | Very low | 41.5 | Very low | 106 Ų | 106 | 142 Ų | 142 | 74% | 0.741 | 76% | 0.755 | S | S | * | * | trans | -82.1 | 115.3 | 168.5 | 50.7 | 0 | 0 | 0 | 0 | 110.3 | P167 T171 | P167-S169 PolarHBondContact O-N 3.41Å; P167-S169 VanDerWaalsContact O-N 3.14Å; S169-T171 PolarHBondContact O-N 3Å | ||
| 170 | K | 51.4 | Low | 42 | Very low | 211 Ų | 211 | 143.5 Ų | 143.5 | 92% | 0.917 | 76% | 0.76 | S | S | * | * | trans | -61.4 | 108.8 | 176.6 | -64.1 | 170.1 | -180 | 175.7 | 0 | 109.8 | Q168 | Q168-K170 PolarHBondContact O-N 2.78Š| ||
| 171 | T | 45.9 | Very low | 42.4 | Very low | 122 Ų | 122 | 138.7 Ų | 138.7 | 75% | 0.748 | 76% | 0.755 | S | S | * | * | trans | -94.9 | 120.2 | 164.2 | 49.5 | 0 | 0 | 0 | 0 | 108.9 | S169 K173 | S169-T171 PolarHBondContact O-N 3Å; T171-K173 PolarHBondContact O-N 3.06Å; T171-K173 VanDerWaalsContact O-N 3.09Å | ||
| 172 | A | 39.8 | Very low | 42.6 | Very low | 102 Ų | 102 | 137.6 Ų | 137.6 | 84% | 0.843 | 76% | 0.755 | S | S | * | * | trans | -64.3 | 106.3 | 176 | 0 | 0 | 0 | 0 | 0 | 109.5 | R174 | A172-R174 PolarHBondContact O-N 3.34Å; A172-R174 VanDerWaalsContact O-N 3.08Å | ||
| 173 | K | 52.5 | Low | 42.8 | Very low | 183 Ų | 183 | 138.3 Ų | 138.3 | 80% | 0.796 | 76% | 0.759 | S | S | * | * | trans | -68.9 | 99.6 | 167.4 | -70.6 | -178.9 | 175.3 | -179.9 | 0 | 108.2 | T171 N175 | T171-K173 PolarHBondContact O-N 3.06Å; T171-K173 VanDerWaalsContact O-N 3.09Å; K173-N175 PolarHBondContact O-N 3.16Å | ||
| 174 | R | 50.7 | Low | 42.7 | Very low | 196 Ų | 196 | 140.6 Ų | 140.6 | 74% | 0.74 | 76% | 0.758 | S | S | * | * | trans | -73.7 | 103.8 | 163.6 | 65.9 | -171.8 | -149.2 | 102.7 | 5.2 | 108 | A172 L176 | A172-R174 PolarHBondContact O-N 3.34Å; A172-R174 VanDerWaalsContact O-N 3.08Å; R174-L176 PolarHBondContact O-N 2.88Å | ||
| 175 | N | 44.5 | Very low | 43.4 | Very low | 121 Ų | 121 | 144.2 Ų | 144.2 | 65% | 0.647 | 76% | 0.757 | S | S | * | * | trans | -74.3 | 120 | 173 | -64.9 | -55.8 | 0 | 0 | 0 | 108.3 | K173 S177 | K173-N175 PolarHBondContact O-N 3.16Å; N175-S177 VanDerWaalsContact C-N 3.28Å | ||
| 176 | L | 46.2 | Very low | 43.7 | Very low | 100 Ų | 100 | 144.7 Ų | 144.7 | 52% | 0.524 | 76% | 0.76 | S | S | . | * | trans | -91.1 | 18.9 | 174 | -72.4 | 172.2 | 0 | 0 | 0 | 112.5 | R174 | R174-L176 PolarHBondContact O-N 2.88Š| ||
| 177 | S | 50.7 | Low | 44.1 | Very low | 85 Ų | 85 | 143.6 Ų | 143.6 | 59% | 0.594 | 76% | 0.761 | S | S | * | * | trans | -86 | -5.9 | -175.7 | 52.2 | 0 | 0 | 0 | 0 | 114.5 | N175 | N175-S177 VanDerWaalsContact C-N 3.28Š| ||
| 178 | T | 45.1 | Very low | 44.4 | Very low | 99 Ų | 99 | 140.9 Ų | 140.9 | 61% | 0.607 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -92.1 | -17.5 | -173.6 | -34 | 0 | 0 | 0 | 0 | 113.8 | F180 | T178-F180 VanDerWaalsContact C-N 3.33Å; T178-F180 PolarHBondContact O-N 3.17Å |
| 179 | E | 44.2 | Very low | 44.9 | Very low | 157 Ų | 157 | 137.5 Ų | 137.5 | 73% | 0.734 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | -12.3 | -175.5 | -71.1 | -171.9 | -179.4 | 0 | 0 | 114.3 | ||
| 180 | F | 40.3 | Very low | 45.6 | Very low | 184 Ų | 184 | 137.8 Ų | 137.8 | 81% | 0.807 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.1 | 2.6 | -179.7 | -66.6 | -75.2 | 0 | 0 | 0 | 114.6 | T178 | T178-F180 VanDerWaalsContact C-N 3.33Å; T178-F180 PolarHBondContact O-N 3.17Å |
| 181 | S | 44.1 | Very low | 45.9 | Very low | 85 Ų | 85 | 131.6 Ų | 131.6 | 59% | 0.594 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -101.2 | 0.2 | -175.9 | -57.9 | 0 | 0 | 0 | 0 | 115.4 | ||
| 182 | N | 34.8 | Very low | 46.9 | Very low | 146 Ų | 146 | 130.4 Ų | 130.4 | 78% | 0.781 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.9 | 14.9 | -175.2 | -73.8 | -14.1 | 0 | 0 | 0 | 115.2 | ||
| 183 | C | 41.2 | Very low | 48 | Very low | 128 Ų | 128 | 130 Ų | 130 | 87% | 0.865 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.4 | 18.1 | 176.3 | -65 | 0 | 0 | 0 | 0 | 113.7 | ||
| 184 | Q | 46.8 | Very low | 48.5 | Very low | 174 Ų | 174 | 129.1 Ų | 129.1 | 81% | 0.813 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -117.9 | 47.3 | -179.6 | -167 | 88.9 | 26.6 | 0 | 0 | 111.4 | ||
| 185 | E | 45.7 | Very low | 49.3 | Very low | 180 Ų | 180 | 121.6 Ų | 121.6 | 84% | 0.841 | 67% | 0.674 | S | S | * | * | trans | -163.6 | 67.5 | 162.7 | -140.4 | 168.9 | -179.7 | 0 | 0 | 111 | ||||
| 186 | Q | 38 | Very low | 50.4 | Low | 192 Ų | 192 | 117.3 Ų | 117.3 | 90% | 0.897 | 65% | 0.65 | S | S | * | * | trans | -125.7 | 93.7 | 162 | -74.8 | -94.6 | 19.5 | 0 | 0 | 106 | G188 | Q186-G188 VanDerWaalsContact C-N 3.34Å; Q186-G188 PolarHBondContact O-N 3.03Å | ||
| 187 | T | 46.9 | Very low | 51.1 | Low | 139 Ų | 139 | 120.3 Ų | 120.3 | 85% | 0.853 | 66% | 0.662 | S | S | * | * | trans | -57.8 | 96.6 | 172.1 | -14.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 188 | G | 47 | Very low | 51.4 | Low | 53 Ų | 53 | 121.3 Ų | 121.3 | 55% | 0.546 | 66% | 0.664 | S | S | . | * | trans | -62.5 | 159.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q186 C190 | Q186-G188 VanDerWaalsContact C-N 3.34Å; Q186-G188 PolarHBondContact O-N 3.03Å; G188-C190 PolarHBondContact O-N 2.99Å; G188-C190 VanDerWaalsContact O-N 3.14Å | ||
| 189 | P | 50.9 | Low | 51.9 | Low | 125 Ų | 125 | 121.6 Ų | 121.6 | 81% | 0.812 | 66% | 0.661 | S | S | * | * | trans | -57.3 | 122.5 | 178.9 | 23.3 | -31.3 | 0 | 0 | 0 | 109.6 | V191 | P189-V191 PolarHBondContact O-N 3.29Š| ||
| 190 | C | 51.3 | Low | 52.6 | Low | 111 Ų | 111 | 117.2 Ų | 117.2 | 75% | 0.75 | 66% | 0.659 | S | S | * | * | trans | -56.7 | 107.9 | 177.2 | -178.1 | 0 | 0 | 0 | 0 | 108.5 | G188 | G188-C190 PolarHBondContact O-N 2.99Å; G188-C190 VanDerWaalsContact O-N 3.14Å | ||
| 191 | V | 58.4 | Low | 53.4 | Low | 81 Ų | 81 | 113.3 Ų | 113.3 | 49% | 0.491 | 65% | 0.646 | S | S | . | * | trans | -73.4 | 131.9 | 172.8 | 179.4 | 0 | 0 | 0 | 0 | 107.2 | P189 V195 L196 | P189-V191 PolarHBondContact O-N 3.29Å; V191-V195 HydrophobicContact CG1-CB 4.12Å; V191-V195 HydrophobicContact CG1-CG1 4.12Å; V191-L196 HydrophobicContact CG1-CD2 4.38Å; V191-L196 HydrophobicContact CG1-CG 4.4Å | ||
| 192 | D | 66.9 | Low | 54.2 | Low | 98 Ų | 98 | 117.8 Ų | 117.8 | 52% | 0.524 | 66% | 0.655 | S | S | . | * | trans | -54.8 | 132.9 | -173.9 | -74.1 | -46.4 | 0 | 0 | 0 | 112.1 | W194 V195 L196 | D192-W194 VanDerWaalsContact CB-CD1 3.49Å; D192-W194 PolarHBondContact O-N 3.4Å; D192-V195 HydrophobicContact CB-CG2 4.22Å; D192-V195 WeakPolarHBondContact O-CB 3.48Å; D192-V195 PolarHBondContact O-N 2.92Å; D192-L196 PolarHBondContact O-N 3.4Å | ||
| 193 | P | 61.4 | Low | 55.2 | Low | 94 Ų | 94 | 114 Ų | 114 | 61% | 0.61 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -56.3 | -28.4 | -174.1 | -29 | 34.9 | 0 | 0 | 0 | 115.1 | L196 Q197 | P193-L196 PolarHBondContact O-N 3.49Å; P193-Q197 WeakPolarHBondContact O-CB 3.47Å; P193-Q197 PolarHBondContact O-N 3.08Å |
| 194 | W | 62.5 | Low | 55.8 | Low | 163 Ų | 163 | 114.5 Ų | 114.5 | 62% | 0.617 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -71.4 | -30.1 | 178.2 | 74.9 | -91.8 | 0 | 0 | 0 | 112.6 | D192 Q197 T198 | D192-W194 VanDerWaalsContact CB-CD1 3.49Å; D192-W194 PolarHBondContact O-N 3.4Å; W194-Q197 PolarHBondContact O-N 3.41Å; W194-T198 WeakPolarHBondContact O-CB 3.35Å; W194-T198 PolarHBondContact O-N 3.22Å; W194-T198 PolarHBondContact O-OG1 3.02Å |
| 195 | V | 68.3 | Low | 56.1 | Low | 39 Ų | 39 | 112.8 Ų | 112.8 | 24% | 0.236 | 62% | 0.624 | C | S | . | * | H | α-helix | trans | -68.5 | -43.9 | 175.7 | 177.7 | 0 | 0 | 0 | 0 | 109.3 | V191 D192 T198 L199 | V191-V195 HydrophobicContact CG1-CB 4.12Å; V191-V195 HydrophobicContact CG1-CG1 4.12Å; D192-V195 HydrophobicContact CB-CG2 4.22Å; D192-V195 WeakPolarHBondContact O-CB 3.48Å; D192-V195 PolarHBondContact O-N 2.92Å; V195-T198 PolarHBondContact O-N 2.92Å; V195-L199 HydrophobicContact CG1-CD1 3.78Å; V195-L199 HydrophobicContact CG1-CG 4.5Å; V195-L199 WeakPolarHBondContact O-CB 3.28Å; V195-L199 WeakPolarHBondContact O-CG 3.39Å; V195-L199 PolarHBondContact O-N 3.39Å |
| 196 | L | 68.1 | Low | 56.4 | Low | 31 Ų | 31 | 108.6 Ų | 108.6 | 16% | 0.162 | 61% | 0.611 | C | S | . | * | H | α-helix | trans | -61.5 | -45.5 | 175 | -63.9 | 176.9 | 0 | 0 | 0 | 110.9 | V191 D192 P193 L199 G200 L201 D203 | V191-L196 HydrophobicContact CG1-CD2 4.38Å; V191-L196 HydrophobicContact CG1-CG 4.4Å; D192-L196 PolarHBondContact O-N 3.4Å; P193-L196 PolarHBondContact O-N 3.49Å; L196-L199 CarbonylContact O-C 3.44Å; L196-L199 PolarHBondContact O-N 3.25Å; L196-G200 CarbonylContact O-C 3.54Å; L196-G200 PolarHBondContact O-N 3.47Å; L196-L201 CarbonylContact C-O 3.58Å; L196-L201 WeakPolarHBondContact CB-O 3.5Å; L196-L201 HydrophobicContact CD2-CB 3.95Å; L196-L201 PolarHBondContact O-N 3.45Å; L196-L201 VanDerWaalsContact O-O 3.12Å; L196-D203 HydrophobicContact CD1-CB 3.88Å |
| 197 | Q | 61.5 | Low | 57.1 | Low | 163 Ų | 163 | 104.7 Ų | 104.7 | 76% | 0.762 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -64.4 | -41.4 | 177.8 | -173.2 | 173.7 | -0.8 | 0 | 0 | 113.1 | P193 W194 L199 G200 | P193-Q197 WeakPolarHBondContact O-CB 3.47Å; P193-Q197 PolarHBondContact O-N 3.08Å; W194-Q197 PolarHBondContact O-N 3.41Å; Q197-L199 VanDerWaalsContact C-N 3.3Å; Q197-L199 PolarHBondContact O-N 3.02Å; Q197-G200 PolarHBondContact O-N 2.87Å |
| 198 | T | 56.2 | Low | 56.9 | Low | 106 Ų | 106 | 102.5 Ų | 102.5 | 65% | 0.65 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -67.3 | -33.4 | 178.6 | -55.5 | 0 | 0 | 0 | 0 | 111.7 | W194 V195 | W194-T198 WeakPolarHBondContact O-CB 3.35Å; W194-T198 PolarHBondContact O-N 3.22Å; W194-T198 PolarHBondContact O-OG1 3.02Å; V195-T198 PolarHBondContact O-N 2.92Å |
| 199 | L | 56.4 | Low | 57.1 | Low | 104 Ų | 104 | 107 Ų | 107 | 55% | 0.545 | 59% | 0.589 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.1 | -0.6 | 177.5 | -62.2 | 175.3 | 0 | 0 | 0 | 113.2 | V195 L196 Q197 L201 | V195-L199 HydrophobicContact CG1-CD1 3.78Å; V195-L199 HydrophobicContact CG1-CG 4.5Å; V195-L199 WeakPolarHBondContact O-CB 3.28Å; V195-L199 WeakPolarHBondContact O-CG 3.39Å; V195-L199 PolarHBondContact O-N 3.39Å; L196-L199 CarbonylContact O-C 3.44Å; L196-L199 PolarHBondContact O-N 3.25Å; Q197-L199 VanDerWaalsContact C-N 3.3Å; Q197-L199 PolarHBondContact O-N 3.02Å; L199-L201 HydrophobicContact CB-CD1 3.9Å; L199-L201 HydrophobicContact CB-CG 3.9Å; L199-L201 HydrophobicContact CD1-CD1 4.22Å; L199-L201 PolarHBondContact O-N 3.27Å |
| 200 | G | 58.7 | Low | 56.9 | Low | 66 Ų | 66 | 106.3 Ų | 106.3 | 68% | 0.68 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 65.5 | 20 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | L196 Q197 | L196-G200 CarbonylContact O-C 3.54Å; L196-G200 PolarHBondContact O-N 3.47Å; Q197-G200 PolarHBondContact O-N 2.87Å |
| 201 | L | 56.8 | Low | 56.8 | Low | 101 Ų | 101 | 107.1 Ų | 107.1 | 53% | 0.529 | 58% | 0.58 | S | S | . | * | trans | -93.5 | 148.4 | -180 | -57.1 | 176.2 | 0 | 0 | 0 | 110.1 | L196 L199 | L196-L201 CarbonylContact C-O 3.58Å; L196-L201 WeakPolarHBondContact CB-O 3.5Å; L196-L201 HydrophobicContact CD2-CB 3.95Å; L196-L201 PolarHBondContact O-N 3.45Å; L196-L201 VanDerWaalsContact O-O 3.12Å; L199-L201 HydrophobicContact CB-CD1 3.9Å; L199-L201 HydrophobicContact CB-CG 3.9Å; L199-L201 HydrophobicContact CD1-CD1 4.22Å; L199-L201 PolarHBondContact O-N 3.27Å | ||
| 202 | K | 61.1 | Low | 56.2 | Low | 180 Ų | 180 | 108.7 Ų | 108.7 | 78% | 0.783 | 59% | 0.592 | S | S | * | * | trans | -108 | 143.5 | 173.6 | -67.2 | -178.2 | 176.9 | -176.3 | 0 | 109.7 | ||||
| 203 | D | 55.1 | Low | 55.1 | Low | 67 Ų | 67 | 107.6 Ų | 107.6 | 36% | 0.358 | 60% | 0.596 | S | S | . | * | trans | -65.4 | 148 | 173.3 | -176.3 | 25 | 0 | 0 | 0 | 110.3 | L196 N205 T206 | L196-D203 HydrophobicContact CD1-CB 3.88Å; D203-N205 PolarHBondContact O-N 3.24Å; D203-N205 PolarHBondContact OD2-ND2 3.47Å; D203-T206 PolarHBondContact O-N 3.21Å | ||
| 204 | L | 54.1 | Low | 54.1 | Low | 138 Ų | 138 | 110.5 Ų | 110.5 | 72% | 0.723 | 61% | 0.606 | S | S | * | * | G | 310 helix | trans | -55.9 | -25.6 | -179.1 | -155.3 | 80.4 | 0 | 0 | 0 | 112 | ||
| 205 | N | 51.8 | Low | 53 | Low | 137 Ų | 137 | 113 Ų | 113 | 73% | 0.733 | 62% | 0.617 | S | S | * | * | G | 310 helix | trans | -89.3 | 1.1 | -177.4 | -54.2 | -55.2 | 0 | 0 | 0 | 114.5 | D203 | D203-N205 PolarHBondContact O-N 3.24Å; D203-N205 PolarHBondContact OD2-ND2 3.47Å |
| 206 | T | 52.5 | Low | 51.5 | Low | 93 Ų | 93 | 115.4 Ų | 115.4 | 57% | 0.571 | 64% | 0.636 | S | S | * | * | G | 310 helix | trans | -119.3 | 14.2 | -177 | -18.3 | 0 | 0 | 0 | 0 | 113.5 | D203 D208 | D203-T206 PolarHBondContact O-N 3.21Å; T206-D208 VanDerWaalsContact C-N 3.28Å; T206-D208 PolarHBondContact O-N 2.8Å |
| 207 | I | 52.6 | Low | 50.2 | Low | 109 Ų | 109 | 118.4 Ų | 118.4 | 56% | 0.559 | 67% | 0.665 | S | S | * | * | trans | -73.4 | 91 | 171.3 | -43.6 | 175.6 | 0 | 0 | 0 | 107 | D209 | I207-D209 VanDerWaalsContact C-N 3.31Å; I207-D209 PolarHBondContact O-N 3.38Å | ||
| 208 | D | 44 | Very low | 49.1 | Very low | 94 Ų | 94 | 118.7 Ų | 118.7 | 50% | 0.503 | 67% | 0.67 | S | S | . | * | trans | -71 | 89.8 | 170.5 | -174.5 | 9 | 0 | 0 | 0 | 108.9 | T206 T210 L211 | T206-D208 VanDerWaalsContact C-N 3.28Å; T206-D208 PolarHBondContact O-N 2.8Å; D208-T210 PolarHBondContact O-N 2.94Å; D208-T210 VanDerWaalsContact O-N 3.1Å; D208-T210 VanDerWaalsContact OD1-CB 3.31Å; D208-T210 WeakPolarHBondContact OD1-CB 3Å; D208-T210 WeakPolarHBondContact OD1-CG2 3.39Å; D208-T210 PolarHBondContact OD1-N 3.42Å; D208-T210 VanDerWaalsContact OD1-N 3.17Å; D208-T210 PolarHBondContact OD1-OG1 3.49Å; D208-T210 PolarHBondContact OD2-OG1 2.89Å; D208-L211 PolarHBondContact O-N 2.98Å | ||
| 209 | D | 50.6 | Low | 47.9 | Very low | 146 Ų | 146 | 116.8 Ų | 116.8 | 78% | 0.781 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | 0.7 | 175.9 | -79.9 | -24.6 | 0 | 0 | 0 | 112.9 | I207 L211 | I207-D209 VanDerWaalsContact C-N 3.31Å; I207-D209 PolarHBondContact O-N 3.38Å; D209-L211 VanDerWaalsContact C-N 3.29Å |
| 210 | T | 46.3 | Very low | 47 | Very low | 111 Ų | 111 | 117.2 Ų | 117.2 | 68% | 0.681 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | -11.2 | 174.3 | 70.8 | 0 | 0 | 0 | 0 | 113.6 | D208 | D208-T210 PolarHBondContact O-N 2.94Å; D208-T210 VanDerWaalsContact O-N 3.1Å; D208-T210 VanDerWaalsContact OD1-CB 3.31Å; D208-T210 WeakPolarHBondContact OD1-CB 3Å; D208-T210 WeakPolarHBondContact OD1-CG2 3.39Å; D208-T210 PolarHBondContact OD1-N 3.42Å; D208-T210 VanDerWaalsContact OD1-N 3.17Å; D208-T210 PolarHBondContact OD1-OG1 3.49Å; D208-T210 PolarHBondContact OD2-OG1 2.89Å |
| 211 | L | 50.5 | Low | 45.9 | Very low | 129 Ų | 129 | 121.4 Ų | 121.4 | 68% | 0.675 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -103.2 | 116.5 | 172 | -70.9 | 169 | 0 | 0 | 0 | 109.9 | D208 D209 A213 | D208-L211 PolarHBondContact O-N 2.98Å; D209-L211 VanDerWaalsContact C-N 3.29Å; L211-A213 PolarHBondContact O-N 3.13Å |
| 212 | P | 44.3 | Very low | 44.9 | Very low | 114 Ų | 114 | 122.2 Ų | 122.2 | 74% | 0.74 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -58 | 127.7 | 175 | 22.4 | -29.9 | 0 | 0 | 0 | 109.1 | N214 | P212-N214 PolarHBondContact O-N 3.08Š|
| 213 | A | 44.2 | Very low | 43.8 | Very low | 75 Ų | 75 | 120.6 Ų | 120.6 | 62% | 0.62 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -47.5 | 116.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | L211 Y215 | L211-A213 PolarHBondContact O-N 3.13Å; A213-Y215 VanDerWaalsContact C-N 3.27Å; A213-Y215 HydrophobicContact CB-CD2 4.48Å; A213-Y215 HydrophobicContact CB-CE2 4.2Å; A213-Y215 VanDerWaalsContact O-CD2 3.29Å; A213-Y215 WeakPolarHBondContact O-CD2 3.32Å; A213-Y215 PolarHBondContact O-N 2.78Å |
| 214 | N | 40.8 | Very low | 43 | Very low | 155 Ų | 155 | 124.6 Ų | 124.6 | 83% | 0.829 | 71% | 0.708 | S | S | * | * | trans | -71.5 | 84.2 | -171.8 | -135.5 | -41.1 | 0 | 0 | 0 | 109 | P212 S216 | P212-N214 PolarHBondContact O-N 3.08Å; N214-S216 PolarHBondContact O-N 3.49Å; N214-S216 VanDerWaalsContact O-N 3.13Å | ||
| 215 | Y | 39.5 | Very low | 42.1 | Very low | 215 Ų | 215 | 123.7 Ų | 123.7 | 84% | 0.843 | 71% | 0.708 | S | S | * | * | trans | -72.6 | 96.2 | 165.4 | -74 | -85.7 | 0 | 0 | 0 | 107.3 | A213 | A213-Y215 VanDerWaalsContact C-N 3.27Å; A213-Y215 HydrophobicContact CB-CD2 4.48Å; A213-Y215 HydrophobicContact CB-CE2 4.2Å; A213-Y215 VanDerWaalsContact O-CD2 3.29Å; A213-Y215 WeakPolarHBondContact O-CD2 3.32Å; A213-Y215 PolarHBondContact O-N 2.78Å | ||
| 216 | S | 37.3 | Very low | 41.2 | Very low | 89 Ų | 89 | 122.6 Ų | 122.6 | 62% | 0.622 | 71% | 0.708 | S | S | * | * | trans | -141.4 | 106.2 | 163 | -74.8 | 0 | 0 | 0 | 0 | 109.1 | N214 I218 | N214-S216 PolarHBondContact O-N 3.49Å; N214-S216 VanDerWaalsContact O-N 3.13Å; S216-I218 PolarHBondContact O-N 3.38Å | ||
| 217 | A | 38.9 | Very low | 40 | Very low | 94 Ų | 94 | 121.8 Ų | 121.8 | 78% | 0.777 | 72% | 0.718 | S | S | * | * | trans | -54.2 | 126.4 | 155.1 | 0 | 0 | 0 | 0 | 0 | 108 | A219 | A217-A219 PolarHBondContact O-N 3.1Š| ||
| 218 | I | 39.3 | Very low | 39 | Very low | 169 Ų | 169 | 123.3 Ų | 123.3 | 87% | 0.867 | 73% | 0.733 | S | S | * | * | trans | 8.1 | 85.1 | 163.8 | -36.1 | 172.9 | 0 | 0 | 0 | 114 | S216 | S216-I218 PolarHBondContact O-N 3.38Š| ||
| 219 | A | 32 | Very low | 38.5 | Very low | 66 Ų | 66 | 124.2 Ų | 124.2 | 55% | 0.545 | 75% | 0.746 | S | S | . | * | trans | -104.8 | 102.7 | 156.2 | 0 | 0 | 0 | 0 | 0 | 106.1 | A217 H221 | A217-A219 PolarHBondContact O-N 3.1Å; A219-H221 VanDerWaalsContact C-N 3.31Å; A219-H221 PolarHBondContact O-N 3.3Å | ||
| 220 | S | 37 | Very low | 37.7 | Very low | 114 Ų | 114 | 122.6 Ų | 122.6 | 80% | 0.797 | 75% | 0.747 | S | S | * | * | trans | -62.6 | 90.9 | 172.9 | 21.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 221 | H | 34.4 | Very low | 37.1 | Very low | 153 Ų | 153 | 125.5 Ų | 125.5 | 71% | 0.708 | 75% | 0.752 | S | S | * | * | trans | -103.5 | 122.5 | 160.7 | -73.4 | -53.1 | 0 | 0 | 0 | 108.3 | A219 I223 | A219-H221 VanDerWaalsContact C-N 3.31Å; A219-H221 PolarHBondContact O-N 3.3Å; H221-I223 PolarHBondContact O-N 2.91Å | ||
| 222 | P | 37.2 | Very low | 36.2 | Very low | 118 Ų | 118 | 129.1 Ų | 129.1 | 77% | 0.766 | 76% | 0.763 | S | S | * | * | trans | -72.8 | 100.1 | 172.6 | 29.4 | -28.2 | 0 | 0 | 0 | 107.3 | I224 | P222-I224 PolarHBondContact O-N 3.27Å; P222-I224 VanDerWaalsContact O-N 3.12Å | ||
| 223 | I | 38.3 | Very low | 35.6 | Very low | 147 Ų | 147 | 131.7 Ų | 131.7 | 75% | 0.754 | 77% | 0.77 | S | S | * | * | trans | -72.6 | 104.8 | 167 | -68.2 | 176.8 | 0 | 0 | 0 | 106.7 | H221 V225 | H221-I223 PolarHBondContact O-N 2.91Å; I223-V225 HydrophobicContact CG2-CG2 4.22Å; I223-V225 PolarHBondContact O-N 3.48Å | ||
| 224 | I | 36.7 | Very low | 35.1 | Very low | 151 Ų | 151 | 136.8 Ų | 136.8 | 77% | 0.774 | 78% | 0.78 | S | S | * | * | trans | -58.9 | 110.7 | 161.4 | -65.4 | 166.8 | 0 | 0 | 0 | 106.8 | P222 | P222-I224 PolarHBondContact O-N 3.27Å; P222-I224 VanDerWaalsContact O-N 3.12Å | ||
| 225 | V | 35.8 | Very low | 34.7 | Very low | 119 Ų | 119 | 135.5 Ų | 135.5 | 72% | 0.721 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -90.9 | 121.7 | 165.9 | -176.7 | 0 | 0 | 0 | 0 | 107.4 | I223 G227 | I223-V225 HydrophobicContact CG2-CG2 4.22Å; I223-V225 PolarHBondContact O-N 3.48Å; V225-G227 PolarHBondContact O-N 2.86Å |
| 226 | P | 33.6 | Very low | 34.4 | Very low | 114 Ų | 114 | 130.8 Ų | 130.8 | 74% | 0.74 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 125.5 | 169.7 | -12.7 | 27.3 | 0 | 0 | 0 | 109.2 | ||
| 227 | G | 27.4 | Very low | 34.4 | Very low | 75 Ų | 75 | 132.4 Ų | 132.4 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 140.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | V225 | V225-G227 PolarHBondContact O-N 2.86Š|
| 228 | T | 31.6 | Very low | 34 | Very low | 142 Ų | 142 | 131 Ų | 131 | 87% | 0.871 | 77% | 0.767 | S | S | * | * | trans | -109.7 | 127.9 | 149.8 | 37.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 229 | S | 33.2 | Very low | 34 | Very low | 112 Ų | 112 | 133.4 Ų | 133.4 | 78% | 0.783 | 77% | 0.767 | S | S | * | * | trans | -43.2 | 139.6 | -174.1 | 59.1 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 230 | S | 33.3 | Very low | 34 | Very low | 113 Ų | 113 | 134.4 Ų | 134.4 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | trans | -141.4 | 114.8 | 132.6 | -170.6 | 0 | 0 | 0 | 0 | 108.4 | F232 | S230-F232 PolarHBondContact O-N 3.48Š| ||
| 231 | Q | 33.8 | Very low | 34 | Very low | 171 Ų | 171 | 136 Ų | 136 | 80% | 0.799 | 78% | 0.78 | S | S | * | * | trans | -69.9 | 119.4 | 177.1 | -71.2 | 165.1 | -9.1 | 0 | 0 | 109 | ||||
| 232 | F | 31.3 | Very low | 33.9 | Very low | 206 Ų | 206 | 134.6 Ų | 134.6 | 90% | 0.904 | 78% | 0.782 | S | S | * | * | trans | -148.5 | 112.3 | 144.2 | -96.8 | -75.6 | 0 | 0 | 0 | 110.1 | S230 | S230-F232 PolarHBondContact O-N 3.48Š| ||
| 233 | L | 31.8 | Very low | 33.6 | Very low | 168 Ų | 168 | 133.9 Ų | 133.9 | 88% | 0.88 | 78% | 0.78 | S | S | * | * | trans | -64.5 | 128.5 | 164.7 | -91.1 | 146.3 | 0 | 0 | 0 | 109.6 | ||||
| 234 | H | 34.4 | Very low | 33.4 | Very low | 182 Ų | 182 | 137.1 Ų | 137.1 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | -153 | 137.8 | 123.9 | -149.6 | -87.3 | 0 | 0 | 0 | 111.9 | |||||
| 235 | D | 31.1 | Very low | 33.1 | Very low | 127 Ų | 127 | 136.4 Ų | 136.4 | 68% | 0.679 | 78% | 0.781 | S | S | * | * | trans | -63.9 | 153.1 | -172.8 | -160.2 | 5.5 | 0 | 0 | 0 | 113.9 | ||||
| 236 | T | 33.8 | Very low | 33.1 | Very low | 117 Ų | 117 | 139.6 Ų | 139.6 | 72% | 0.718 | 79% | 0.788 | S | S | * | * | trans | 160.9 | 105.3 | 136 | -61.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 237 | V | 37 | Very low | 33.3 | Very low | 122 Ų | 122 | 141.1 Ų | 141.1 | 74% | 0.739 | 79% | 0.785 | S | S | * | * | trans | 42.3 | 121.6 | 139.8 | -165.8 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 238 | G | 30.2 | Very low | 33.7 | Very low | 64 Ų | 64 | 145.5 Ų | 145.5 | 66% | 0.66 | 79% | 0.789 | S | S | * | * | cis | 111.5 | 78.2 | 28.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 239 | Y | 39.7 | Very low | 33.9 | Very low | 221 Ų | 221 | 143.9 Ų | 143.9 | 87% | 0.867 | 78% | 0.775 | S | S | * | * | trans | -157.1 | 118.2 | 148.7 | 33.3 | -93.7 | 0 | 0 | 0 | 111.3 | ||||
| 240 | A | 33.3 | Very low | 34 | Very low | 86 Ų | 86 | 148.5 Ų | 148.5 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | trans | -69.5 | 148.1 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 241 | T | 36 | Very low | 33.7 | Very low | 148 Ų | 148 | 146.8 Ų | 146.8 | 91% | 0.908 | 78% | 0.777 | S | S | * | * | trans | -150.6 | 120.4 | 131.8 | -5.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 242 | V | 32.2 | Very low | 33.6 | Very low | 124 Ų | 124 | 142.1 Ų | 142.1 | 75% | 0.752 | 78% | 0.775 | S | S | * | * | trans | -87.5 | 147.9 | 174.2 | 178.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 243 | S | 31.6 | Very low | 33.6 | Very low | 102 Ų | 102 | 140.9 Ų | 140.9 | 71% | 0.713 | 78% | 0.778 | S | S | * | * | trans | 141.5 | 144.5 | 140.5 | -73.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 244 | R | 33.3 | Very low | 33.7 | Very low | 215 Ų | 215 | 144.3 Ų | 144.3 | 81% | 0.811 | 78% | 0.779 | S | S | * | * | cis | -174 | 139.3 | -7.2 | 162.2 | 175.4 | -76.7 | 175.8 | -3.7 | 105.5 | ||||
| 245 | D | 31.7 | Very low | 33.5 | Very low | 137 Ų | 137 | 139 Ų | 139 | 73% | 0.733 | 77% | 0.767 | S | S | * | * | trans | -16.2 | 143.2 | 155.2 | -97.5 | -38.3 | 0 | 0 | 0 | 118.4 | ||||
| 246 | Q | 34.4 | Very low | 33.4 | Very low | 185 Ų | 185 | 142 Ų | 142 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | -157.6 | 106.2 | 129 | -115.2 | 158.4 | 90.7 | 0 | 0 | 112.9 | |||||
| 247 | H | 37.8 | Very low | 33.1 | Very low | 147 Ų | 147 | 140.6 Ų | 140.6 | 68% | 0.681 | 78% | 0.776 | S | S | * | * | trans | -76.5 | 135.8 | 158.1 | 171.4 | -90.1 | 0 | 0 | 0 | 109.9 | ||||
| 248 | L | 36.8 | Very low | 32.7 | Very low | 167 Ų | 167 | 140.7 Ų | 140.7 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | trans | -158.6 | 135.9 | 149.9 | -111.5 | 138.6 | 0 | 0 | 0 | 111.6 | ||||
| 249 | D | 35.2 | Very low | 32.6 | Very low | 107 Ų | 107 | 145.1 Ų | 145.1 | 57% | 0.572 | 79% | 0.791 | S | S | * | * | trans | -107.2 | 178.5 | -164.2 | -176.3 | 17.2 | 0 | 0 | 0 | 110.3 | ||||
| 250 | Y | 34.5 | Very low | 32.2 | Very low | 210 Ų | 210 | 141.4 Ų | 141.4 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | trans | 98.1 | 126.4 | 156.7 | -90.7 | -89.4 | 0 | 0 | 0 | 120.9 | ||||
| 251 | G | 28.4 | Very low | 32.1 | Very low | 76 Ų | 76 | 143.5 Ų | 143.5 | 78% | 0.784 | 80% | 0.795 | S | S | * | * | trans | 153.9 | 72.7 | 140.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 252 | G | 31.2 | Very low | 32.2 | Very low | 73 Ų | 73 | 141.3 Ų | 141.3 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | trans | -78.6 | 160.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 253 | N | 30.5 | Very low | 32 | Very low | 181 Ų | 181 | 142.4 Ų | 142.4 | 97% | 0.968 | 78% | 0.784 | S | S | * | * | trans | -158.5 | 147.4 | 140.8 | -118.2 | -6.7 | 0 | 0 | 0 | 112.8 | ||||
| 254 | R | 34.6 | Very low | 32 | Very low | 239 Ų | 239 | 145.3 Ų | 145.3 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | trans | -113.4 | 161.8 | -162.8 | -172.8 | -175.6 | -148 | -128.1 | 4.5 | 111.8 | ||||
| 255 | A | 30.1 | Very low | 31.8 | Very low | 71 Ų | 71 | 142.9 Ų | 142.9 | 59% | 0.587 | 78% | 0.784 | S | S | * | * | trans | 93.7 | 132 | 158.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 256 | H | 30.1 | Very low | 32 | Very low | 190 Ų | 190 | 143.7 Ų | 143.7 | 88% | 0.88 | 78% | 0.783 | S | S | * | * | cis | -147.7 | 158.2 | 43.1 | -75.7 | -92.3 | 0 | 0 | 0 | 114.1 | ||||
| 257 | A | 26.7 | Very low | 31.7 | Very low | 87 Ų | 87 | 140 Ų | 140 | 72% | 0.719 | 77% | 0.769 | S | S | * | * | trans | -73.1 | 152.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 258 | S | 29.6 | Very low | 31.3 | Very low | 125 Ų | 125 | 138 Ų | 138 | 87% | 0.874 | 77% | 0.77 | S | S | * | * | trans | -162.8 | 124.7 | 139.6 | -81.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 259 | N | 27.8 | Very low | 30.9 | Very low | 156 Ų | 156 | 138.3 Ų | 138.3 | 83% | 0.834 | 77% | 0.767 | S | S | * | * | trans | -77.8 | 132.7 | 177.3 | -61.1 | -70.3 | 0 | 0 | 0 | 110.7 | ||||
| 260 | V | 30.1 | Very low | 30.6 | Very low | 144 Ų | 144 | 137.8 Ų | 137.8 | 87% | 0.873 | 77% | 0.77 | S | S | * | * | trans | -151.9 | 112.5 | 146.3 | -177.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 261 | T | 31.6 | Very low | 30.6 | Very low | 129 Ų | 129 | 136.8 Ų | 136.8 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | trans | -95.8 | 161.8 | 149.2 | 5.4 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 262 | P | 37.9 | Very low | 30.7 | Very low | 103 Ų | 103 | 139 Ų | 139 | 67% | 0.669 | 78% | 0.775 | S | S | * | * | cis | -152 | -169.1 | 41.3 | 30.4 | -2.4 | 0 | 0 | 0 | 116.2 | ||||
| 263 | I | 27.4 | Very low | 30.7 | Very low | 146 Ų | 146 | 146.5 Ų | 146.5 | 75% | 0.749 | 78% | 0.78 | S | S | * | * | trans | 88.5 | 97.7 | 155 | -48.2 | -177.3 | 0 | 0 | 0 | 115 | ||||
| 264 | H | 33 | Very low | 30.8 | Very low | 163 Ų | 163 | 146.1 Ų | 146.1 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | 65.1 | 96.9 | 91.3 | -178 | 83.7 | 0 | 0 | 0 | 113.7 | |||||
| 265 | Q | 28.6 | Very low | 30.7 | Very low | 165 Ų | 165 | 139.8 Ų | 139.8 | 77% | 0.771 | 77% | 0.77 | S | S | * | * | trans | -150 | 112 | 142.3 | -164.2 | 164.9 | -7.3 | 0 | 0 | 109.3 | D267 | Q265-D267 WeakPolarHBondContact CG-OD2 3.34Å; Q265-D267 PolarHBondContact NE2-OD2 2.88Å | ||
| 266 | Q | 35.8 | Very low | 31 | Very low | 153 Ų | 153 | 143.7 Ų | 143.7 | 72% | 0.715 | 78% | 0.78 | S | S | * | * | trans | -88.6 | 104.8 | 172.1 | -179.7 | 146.8 | 17.2 | 0 | 0 | 106.8 | ||||
| 267 | D | 27.3 | Very low | 31.6 | Very low | 108 Ų | 108 | 140 Ų | 140 | 58% | 0.578 | 77% | 0.773 | S | S | * | * | trans | -124.8 | 108.4 | 166.2 | -80.9 | -42.8 | 0 | 0 | 0 | 109.8 | Q265 H269 | Q265-D267 WeakPolarHBondContact CG-OD2 3.34Å; Q265-D267 PolarHBondContact NE2-OD2 2.88Å; D267-H269 PolarHBondContact O-N 3.28Å | ||
| 268 | C | 29.3 | Very low | 32.4 | Very low | 105 Ų | 105 | 141.7 Ų | 141.7 | 71% | 0.709 | 78% | 0.777 | S | S | * | * | trans | -66.8 | 117.5 | 165.9 | -58.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 269 | H | 29.1 | Very low | 33 | Very low | 174 Ų | 174 | 142.5 Ų | 142.5 | 81% | 0.806 | 78% | 0.777 | S | S | * | * | trans | -126.7 | 98 | 157.2 | -71 | -58.4 | 0 | 0 | 0 | 109.7 | D267 | D267-H269 PolarHBondContact O-N 3.28Š| ||
| 270 | C | 28.4 | Very low | 33.3 | Very low | 95 Ų | 95 | 138.2 Ų | 138.2 | 64% | 0.642 | 77% | 0.769 | S | S | * | * | trans | -68.7 | 145.2 | 158.9 | -148.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 271 | F | 35.1 | Very low | 33.9 | Very low | 189 Ų | 189 | 137.5 Ų | 137.5 | 83% | 0.829 | 77% | 0.765 | S | S | * | * | trans | 75.5 | 106.5 | 168.9 | -46.9 | -71.8 | 0 | 0 | 0 | 118.3 | ||||
| 272 | S | 30.8 | Very low | 34.2 | Very low | 124 Ų | 124 | 139.9 Ų | 139.9 | 87% | 0.867 | 77% | 0.767 | S | S | * | * | trans | -155.7 | 134.3 | 150.9 | -77.5 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 273 | R | 30.5 | Very low | 34.2 | Very low | 230 Ų | 230 | 141.2 Ų | 141.2 | 87% | 0.868 | 77% | 0.773 | S | S | * | * | cis | -171.3 | 119.5 | -8.1 | -164.1 | 176.4 | -175.6 | -144.5 | 4.7 | 100.9 | S275 | R273-S275 PolarHBondContact O-N 2.82Å; R273-S275 VanDerWaalsContact O-N 3.15Å | ||
| 274 | L | 33.8 | Very low | 34.5 | Very low | 172 Ų | 172 | 141 Ų | 141 | 90% | 0.901 | 77% | 0.773 | S | S | * | * | trans | -59.9 | 116.1 | 175.2 | -80.1 | 153.5 | 0 | 0 | 0 | 108.8 | ||||
| 275 | S | 31.1 | Very low | 34.9 | Very low | 107 Ų | 107 | 138.1 Ų | 138.1 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | trans | -116.3 | 104.6 | 167.3 | 63.2 | 0 | 0 | 0 | 0 | 109 | R273 | R273-S275 PolarHBondContact O-N 2.82Å; R273-S275 VanDerWaalsContact O-N 3.15Å | ||
| 276 | N | 36.5 | Very low | 35.1 | Very low | 152 Ų | 152 | 141.7 Ų | 141.7 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 134.5 | 167.9 | -67.2 | -32.5 | 0 | 0 | 0 | 109.6 | ||
| 277 | P | 44.4 | Very low | 35.3 | Very low | 113 Ų | 113 | 142.9 Ų | 142.9 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -89 | 156.1 | 159.9 | 33.8 | -27.9 | 0 | 0 | 0 | 111 | ||
| 278 | P | 43.5 | Very low | 35.8 | Very low | 123 Ų | 123 | 143.5 Ų | 143.5 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 151.1 | -173.9 | 32.8 | -32.8 | 0 | 0 | 0 | 112.8 | G280 | P278-G280 PolarHBondContact O-N 3.43Š|
| 279 | V | 42.2 | Very low | 36.4 | Very low | 142 Ų | 142 | 142.3 Ų | 142.3 | 86% | 0.861 | 79% | 0.792 | S | S | * | * | trans | -19.1 | 111.6 | 166.4 | 176.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 280 | G | 33.4 | Very low | 37 | Very low | 65 Ų | 65 | 141.3 Ų | 141.3 | 67% | 0.67 | 79% | 0.793 | S | S | * | * | trans | -130.5 | 109 | 161.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | P278 Q282 | P278-G280 PolarHBondContact O-N 3.43Å; G280-Q282 PolarHBondContact O-N 3.33Å | ||
| 281 | V | 42.7 | Very low | 37.6 | Very low | 129 Ų | 129 | 142 Ų | 142 | 78% | 0.782 | 79% | 0.794 | S | S | * | * | trans | -68 | 101.7 | 175.9 | -174.6 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 282 | Q | 37 | Very low | 38 | Very low | 179 Ų | 179 | 135.5 Ų | 135.5 | 84% | 0.836 | 77% | 0.772 | S | S | * | * | trans | -111.1 | 107.8 | 165.9 | -73.5 | -136.8 | 72 | 0 | 0 | 108.8 | G280 L284 | G280-Q282 PolarHBondContact O-N 3.33Å; Q282-L284 PolarHBondContact O-N 3.5Å; Q282-L284 VanDerWaalsContact O-N 3.16Å | ||
| 283 | T | 38.8 | Very low | 38.8 | Very low | 131 Ų | 131 | 136 Ų | 136 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | -61.1 | 106.8 | 170.2 | -35.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 284 | L | 32.9 | Very low | 39.5 | Very low | 143 Ų | 143 | 131 Ų | 131 | 75% | 0.749 | 76% | 0.763 | S | S | * | * | trans | -78 | 131.7 | 173.8 | -137.8 | 86.9 | 0 | 0 | 0 | 108.8 | Q282 Y286 | Q282-L284 PolarHBondContact O-N 3.5Å; Q282-L284 VanDerWaalsContact O-N 3.16Å; L284-Y286 PolarHBondContact O-N 2.85Å | ||
| 285 | P | 41.7 | Very low | 40.4 | Very low | 101 Ų | 101 | 129.7 Ų | 129.7 | 66% | 0.656 | 75% | 0.75 | S | S | * | * | trans | -69.3 | 134.1 | 175.4 | 27.1 | -31.3 | 0 | 0 | 0 | 110 | H287 | P285-H287 PolarHBondContact O-N 3.48Š| ||
| 286 | Y | 32.6 | Very low | 41.8 | Very low | 240 Ų | 240 | 130.8 Ų | 130.8 | 94% | 0.941 | 75% | 0.752 | S | S | * | * | trans | -49.2 | 109.3 | 174.2 | -75.3 | -94.7 | 0 | 0 | 0 | 111 | L284 S288 | L284-Y286 PolarHBondContact O-N 2.85Å; Y286-S288 PolarHBondContact O-N 3.22Å | ||
| 287 | H | 39.7 | Very low | 42.5 | Very low | 179 Ų | 179 | 132.3 Ų | 132.3 | 83% | 0.829 | 75% | 0.754 | S | S | * | * | trans | -74.1 | 103.1 | 161.4 | -95.2 | -80.6 | 0 | 0 | 0 | 107.6 | P285 A289 | P285-H287 PolarHBondContact O-N 3.48Å; H287-A289 PolarHBondContact O-N 3.49Å; H287-A289 VanDerWaalsContact O-N 3.12Å | ||
| 288 | S | 37.7 | Very low | 43.2 | Very low | 120 Ų | 120 | 132.2 Ų | 132.2 | 84% | 0.839 | 75% | 0.751 | S | S | * | * | trans | -65.7 | 107.3 | 164.8 | -148.4 | 0 | 0 | 0 | 0 | 107.1 | Y286 D290 | Y286-S288 PolarHBondContact O-N 3.22Å; S288-D290 PolarHBondContact O-N 2.92Å; S288-D290 VanDerWaalsContact O-N 3.16Å | ||
| 289 | A | 42.9 | Very low | 43.8 | Very low | 80 Ų | 80 | 130.9 Ų | 130.9 | 66% | 0.661 | 75% | 0.751 | S | S | * | * | trans | -74.7 | 103.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | H287 V291 | H287-A289 PolarHBondContact O-N 3.49Å; H287-A289 VanDerWaalsContact O-N 3.12Å; A289-V291 HydrophobicContact CB-CG2 4.33Å; A289-V291 PolarHBondContact O-N 2.99Å | ||
| 290 | D | 42 | Very low | 44.1 | Very low | 154 Ų | 154 | 132.4 Ų | 132.4 | 82% | 0.824 | 75% | 0.746 | S | S | * | * | trans | -68 | 98.9 | 165.3 | -143.9 | -8.8 | 0 | 0 | 0 | 107.1 | S288 S292 | S288-D290 PolarHBondContact O-N 2.92Å; S288-D290 VanDerWaalsContact O-N 3.16Å; D290-S292 PolarHBondContact O-N 3.4Å | ||
| 291 | V | 40.7 | Very low | 45.3 | Very low | 108 Ų | 108 | 134.9 Ų | 134.9 | 66% | 0.655 | 75% | 0.754 | S | S | * | * | trans | -82.7 | 94.7 | -177.4 | -176.8 | 0 | 0 | 0 | 0 | 108.3 | A289 | A289-V291 HydrophobicContact CB-CG2 4.33Å; A289-V291 PolarHBondContact O-N 2.99Å | ||
| 292 | S | 43.3 | Very low | 46.3 | Very low | 54 Ų | 54 | 134.2 Ų | 134.2 | 38% | 0.378 | 75% | 0.75 | S | S | . | * | trans | -56.8 | 132.3 | 157.3 | 165 | 0 | 0 | 0 | 0 | 109.2 | D290 N294 | D290-S292 PolarHBondContact O-N 3.4Å; S292-N294 PolarHBondContact O-N 3Å; S292-N294 PolarHBondContact OG-OD1 3.31Å | ||
| 293 | P | 46.7 | Very low | 47.3 | Very low | 135 Ų | 135 | 131.2 Ų | 131.2 | 88% | 0.877 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | 9.9 | -166.8 | 29.3 | -35.2 | 0 | 0 | 0 | 115.2 | ||
| 294 | N | 45.8 | Very low | 48.6 | Very low | 125 Ų | 125 | 129.2 Ų | 129.2 | 67% | 0.668 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.2 | 5.1 | -175.6 | 80.8 | -20.8 | 0 | 0 | 0 | 115.3 | S292 T296 | S292-N294 PolarHBondContact O-N 3Å; S292-N294 PolarHBondContact OG-OD1 3.31Å; N294-T296 PolarHBondContact O-N 3.01Å |
| 295 | K | 52.4 | Low | 50 | Low | 144 Ų | 144 | 125.8 Ų | 125.8 | 63% | 0.626 | 72% | 0.721 | S | S | * | * | trans | -88.5 | 92.1 | 179.4 | -52.1 | 180 | -173.5 | 174.1 | 0 | 108.2 | E297 | K295-E297 PolarHBondContact O-N 3.23Š| ||
| 296 | T | 60.3 | Low | 50.8 | Low | 130 Ų | 130 | 126.8 Ų | 126.8 | 80% | 0.798 | 73% | 0.727 | S | S | * | * | trans | -57.2 | 104.9 | 164.1 | -59.3 | 0 | 0 | 0 | 0 | 107.3 | N294 V298 | N294-T296 PolarHBondContact O-N 3.01Å; T296-V298 PolarHBondContact O-N 2.92Å | ||
| 297 | E | 51.9 | Low | 51.8 | Low | 183 Ų | 183 | 123.5 Ų | 123.5 | 86% | 0.855 | 72% | 0.72 | S | S | * | * | trans | -61.7 | 105.4 | 175.9 | -171.6 | 176.1 | -177 | 0 | 0 | 107.9 | K295 A299 | K295-E297 PolarHBondContact O-N 3.23Å; E297-A299 PolarHBondContact O-N 2.95Å | ||
| 298 | V | 58.2 | Low | 52.7 | Low | 111 Ų | 111 | 117 Ų | 117 | 67% | 0.673 | 69% | 0.694 | S | S | * | * | trans | -72.8 | 101.5 | -179.9 | 178.8 | 0 | 0 | 0 | 0 | 107.2 | T296 F300 | T296-V298 PolarHBondContact O-N 2.92Å; V298-F300 VanDerWaalsContact CG1-O 3.28Å; V298-F300 WeakPolarHBondContact CG1-O 3.48Å; V298-F300 PolarHBondContact O-N 3.48Å | ||
| 299 | A | 57.8 | Low | 53.9 | Low | 96 Ų | 96 | 118 Ų | 118 | 79% | 0.793 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -67 | -16.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | E297 | E297-A299 PolarHBondContact O-N 2.95Š|
| 300 | F | 47.5 | Very low | 54.9 | Low | 174 Ų | 174 | 116 Ų | 116 | 76% | 0.763 | 67% | 0.67 | S | S | * | * | trans | -157.1 | 137.8 | 176.2 | 60.3 | -85.3 | 0 | 0 | 0 | 112.4 | V298 | V298-F300 VanDerWaalsContact CG1-O 3.28Å; V298-F300 WeakPolarHBondContact CG1-O 3.48Å; V298-F300 PolarHBondContact O-N 3.48Å | ||
| 301 | S | 59.3 | Low | 55.9 | Low | 117 Ų | 117 | 115.6 Ų | 115.6 | 82% | 0.818 | 66% | 0.661 | S | S | * | * | trans | -121 | 134.6 | 174.5 | 60.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 302 | T | 62.3 | Low | 57.1 | Low | 114 Ų | 114 | 114.1 Ų | 114.1 | 70% | 0.699 | 65% | 0.652 | S | S | * | * | trans | -130.7 | 132.6 | 172.5 | -175.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 303 | S | 58.7 | Low | 57.9 | Low | 117 Ų | 117 | 116.9 Ų | 116.9 | 82% | 0.818 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 129.3 | 176.5 | 58.1 | 0 | 0 | 0 | 0 | 109.8 | ||
| 304 | L | 65.8 | Low | 58.9 | Low | 88 Ų | 88 | 114.2 Ų | 114.2 | 46% | 0.461 | 64% | 0.643 | S | S | . | * | P | Polyproline II helix | trans | -101.1 | 153.3 | 175.4 | -62 | 176.3 | 0 | 0 | 0 | 111.2 | C308 V310 | L304-C308 WeakPolarHBondContact CB-SG 3.4Å; L304-V310 HydrophobicContact CD1-CG2 3.7Å |
| 305 | S | 62.6 | Low | 60.2 | Low | 72 Ų | 72 | 113.3 Ų | 113.3 | 50% | 0.503 | 63% | 0.633 | S | S | . | * | P | Polyproline II helix | trans | -69.2 | 149.8 | 177.9 | 68.7 | 0 | 0 | 0 | 0 | 111.3 | H307 C308 | S305-H307 PolarHBondContact O-N 3.36Å; S305-C308 PolarHBondContact O-N 3.36Å; S305-C308 VanDerWaalsContact O-N 3.12Å; S305-C308 PolarHBondContact O-SG 3.46Å |
| 306 | P | 59.2 | Low | 61 | Low | 122 Ų | 122 | 114 Ų | 114 | 79% | 0.792 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.9 | -20.6 | -179.2 | -23.5 | 32.7 | 0 | 0 | 0 | 114.3 | ||
| 307 | H | 53.2 | Low | 61.8 | Low | 171 Ų | 171 | 112.7 Ų | 112.7 | 79% | 0.792 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.9 | 5 | -175.8 | -55.8 | -61.9 | 0 | 0 | 0 | 113.7 | S305 | S305-H307 PolarHBondContact O-N 3.36Š|
| 308 | C | 57.4 | Low | 62.9 | Low | 42 Ų | 42 | 104 Ų | 104 | 28% | 0.284 | 58% | 0.583 | S | S | . | * | P | Polyproline II helix | trans | -84.4 | 137.3 | 174.8 | 77.5 | 0 | 0 | 0 | 0 | 110.7 | L304 S305 | L304-C308 WeakPolarHBondContact CB-SG 3.4Å; S305-C308 PolarHBondContact O-N 3.36Å; S305-C308 VanDerWaalsContact O-N 3.12Å; S305-C308 PolarHBondContact O-SG 3.46Å |
| 309 | N | 63.3 | Low | 63.9 | Low | 141 Ų | 141 | 101.8 Ų | 101.8 | 75% | 0.754 | 57% | 0.565 | S | S | * | * | P | Polyproline II helix | trans | -95 | 119.6 | 172.9 | -67.7 | -44.2 | 0 | 0 | 0 | 108.3 | ||
| 310 | V | 64 | Low | 64.9 | Low | 38 Ų | 38 | 98.3 Ų | 98.3 | 23% | 0.23 | 54% | 0.536 | C | S | . | . | P | Polyproline II helix | trans | -84.8 | 117.1 | 170.4 | -167.8 | 0 | 0 | 0 | 0 | 107.7 | L304 V322 W330 F332 | L304-V310 HydrophobicContact CD1-CG2 3.7Å; V310-V322 HydrophobicContact CB-CG1 4.09Å; V310-V322 HydrophobicContact CG1-CB 4.14Å; V310-V322 HydrophobicContact CG1-CG1 3.44Å; V310-V322 VanDerWaalsContact CG1-CG1 3.44Å; V310-V322 HydrophobicContact CG1-CG2 3.91Å; V310-W330 HydrophobicContact CB-CD2 4.39Å; V310-W330 HydrophobicContact CB-CH2 4.19Å; V310-W330 HydrophobicContact CB-CZ2 4.03Å; V310-W330 HydrophobicContact CB-CZ3 4.44Å; V310-W330 HydrophobicContact CG2-CD2 3.97Å; V310-W330 VanDerWaalsContact CG2-CE2 3.47Å; V310-W330 HydrophobicContact CG2-CG 4.33Å; V310-W330 HydrophobicContact CG2-CH2 4.29Å; V310-W330 HydrophobicContact CG2-CZ2 3.63Å; V310-F332 HydrophobicContact CG1-CE1 3.88Å; V310-F332 HydrophobicContact CG1-CZ 4.11Å |
| 311 | K | 64.3 | Low | 66.1 | Low | 146 Ų | 146 | 93.9 Ų | 93.9 | 64% | 0.635 | 52% | 0.517 | S | S | * | . | trans | -106 | 131.8 | -178.4 | -68.3 | -174.2 | 178.3 | -176.5 | 0 | 110.7 | H313 | K311-H313 PolarHBondContact O-CD2 3.47Å; K311-H313 PolarHBondContact O-N 3.48Å | ||
| 312 | T | 65.4 | Low | 67 | Low | 76 Ų | 76 | 89.7 Ų | 89.7 | 47% | 0.466 | 49% | 0.486 | S | S | . | . | trans | -64.4 | 122.7 | 165.2 | -61 | 0 | 0 | 0 | 0 | 108.7 | A320 | T312-A320 WeakPolarHBondContact CG2-O 3.38Š| ||
| 313 | H | 60.4 | Low | 67.6 | Low | 112 Ų | 112 | 90.2 Ų | 90.2 | 52% | 0.519 | 48% | 0.475 | S | S | . | . | trans | -108.3 | 131.7 | 172.4 | -76.1 | -85.3 | 0 | 0 | 0 | 109.6 | K311 F315 A320 | K311-H313 PolarHBondContact O-CD2 3.47Å; K311-H313 PolarHBondContact O-N 3.48Å; H313-F315 HydrophobicContact CB-CD2 4.39Å; H313-F315 HydrophobicContact CB-CE2 3.62Å; H313-F315 HydrophobicContact CB-CZ 3.85Å; H313-A320 PolarHBondContact O-N 3.01Å | ||
| 314 | S | 67.4 | Low | 68.5 | Low | 80 Ų | 80 | 91.2 Ų | 91.2 | 56% | 0.559 | 46% | 0.461 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 129.7 | 169.2 | -67.5 | 0 | 0 | 0 | 0 | 109 | ||
| 315 | F | 72.8 | Confident | 68.9 | Low | 105 Ų | 105 | 89 Ų | 89 | 46% | 0.461 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 168 | 173.8 | -58 | -95.1 | 0 | 0 | 0 | 109 | H313 Q317 G318 W334 | H313-F315 HydrophobicContact CB-CD2 4.39Å; H313-F315 HydrophobicContact CB-CE2 3.62Å; H313-F315 HydrophobicContact CB-CZ 3.85Å; F315-Q317 VanDerWaalsContact C-N 3.26Å; F315-Q317 PolarHBondContact O-N 3.01Å; F315-G318 CarbonylContact C-O 3.55Å; F315-G318 WeakPolarHBondContact CA-O 3.4Å; F315-G318 PolarHBondContact N-O 3.26Å; F315-G318 PolarHBondContact O-N 3.47Å; F315-W334 HydrophobicContact CB-CH2 4.02Å; F315-W334 AromaticContact CD2-CH2 3.8Å; F315-W334 HydrophobicContact CD2-CH2 3.8Å; F315-W334 AromaticContact CD2-CZ3 3.6Å; F315-W334 HydrophobicContact CD2-CZ3 3.6Å; F315-W334 HydrophobicContact CE2-CZ3 4.17Å; F315-W334 HydrophobicContact CG-CH2 4.21Å; F315-W334 HydrophobicContact CG-CZ3 4.45Å |
| 316 | H | 68.7 | Low | 69.6 | Low | 158 Ų | 158 | 94.6 Ų | 94.6 | 73% | 0.731 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -29.4 | 177.2 | 47.4 | -71.1 | 0 | 0 | 0 | 111.4 | ||
| 317 | Q | 77.1 | Confident | 70.4 | Confident | 103 Ų | 103 | 96 Ų | 96 | 48% | 0.481 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -8.4 | 176.2 | -65.2 | 82.7 | -3 | 0 | 0 | 114.8 | F315 W334 P336 K337 | F315-Q317 VanDerWaalsContact C-N 3.26Å; F315-Q317 PolarHBondContact O-N 3.01Å; Q317-W334 HydrophobicContact CB-CZ2 4.19Å; Q317-P336 WeakPolarHBondContact O-CA 3.36Å; Q317-K337 PolarHBondContact O-N 3.21Å |
| 318 | G | 76.4 | Confident | 71.1 | Confident | 0 Ų | 0 | 89.9 Ų | 89.9 | 0% | 0 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 158.5 | 178.8 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | F315 V335 | F315-G318 CarbonylContact C-O 3.55Å; F315-G318 WeakPolarHBondContact CA-O 3.4Å; F315-G318 PolarHBondContact N-O 3.26Å; F315-G318 PolarHBondContact O-N 3.47Å; G318-V335 CarbonylContact C-O 3.53Å; G318-V335 WeakPolarHBondContact CA-O 3.3Å |
| 319 | Q | 77.4 | Confident | 71.8 | Confident | 66 Ų | 66 | 89.5 Ų | 89.5 | 31% | 0.308 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 131.8 | -178.3 | -69.4 | 179.9 | -17.7 | 0 | 0 | 110.4 | F321 V335 | Q319-F321 HydrophobicContact CB-CE2 3.83Å; Q319-F321 HydrophobicContact CB-CZ 4.01Å; Q319-V335 PolarHBondContact N-O 3.4Å; Q319-V335 PolarHBondContact O-N 3.03Å |
| 320 | A | 78.7 | Confident | 72.4 | Confident | 23 Ų | 23 | 86.4 Ų | 86.4 | 19% | 0.19 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 110.2 | 176 | 0 | 0 | 0 | 0 | 0 | 110.2 | T312 H313 W334 | T312-A320 WeakPolarHBondContact CG2-O 3.38Å; H313-A320 PolarHBondContact O-N 3.01Å; A320-W334 HydrophobicContact CB-CE3 3.78Å; A320-W334 HydrophobicContact CB-CZ3 3.96Å |
| 321 | F | 73.1 | Confident | 73 | Confident | 80 Ų | 80 | 88.5 Ų | 88.5 | 35% | 0.351 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 145.9 | 175.2 | -58.9 | -85.9 | 0 | 0 | 0 | 111.2 | Q319 F332 T333 V335 | Q319-F321 HydrophobicContact CB-CE2 3.83Å; Q319-F321 HydrophobicContact CB-CZ 4.01Å; F321-F332 CarbonylContact O-C 3.44Å; F321-F332 WeakPolarHBondContact O-CA 3.44Å; F321-T333 PolarHBondContact N-O 3.15Å; F321-T333 PolarHBondContact O-N 2.85Å; F321-V335 HydrophobicContact CD2-CG2 3.99Å; F321-V335 HydrophobicContact CE2-CB 4.11Å; F321-V335 HydrophobicContact CE2-CG2 3.66Å |
| 322 | V | 77.7 | Confident | 73.8 | Confident | 29 Ų | 29 | 87.8 Ų | 87.8 | 18% | 0.176 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 125.1 | 177 | -170.4 | 0 | 0 | 0 | 0 | 108.5 | V310 W330 K331 F332 | V310-V322 HydrophobicContact CB-CG1 4.09Å; V310-V322 HydrophobicContact CG1-CB 4.14Å; V310-V322 HydrophobicContact CG1-CG1 3.44Å; V310-V322 VanDerWaalsContact CG1-CG1 3.44Å; V310-V322 HydrophobicContact CG1-CG2 3.91Å; V322-W330 HydrophobicContact CG1-CB 4.44Å; V322-W330 HydrophobicContact CG1-CD2 4.12Å; V322-W330 HydrophobicContact CG1-CE3 3.43Å; V322-W330 VanDerWaalsContact CG1-CE3 3.43Å; V322-W330 HydrophobicContact CG1-CZ3 3.9Å; V322-K331 WeakPolarHBondContact CA-O 3.41Å; V322-F332 HydrophobicContact CB-CD1 4.48Å; V322-F332 HydrophobicContact CB-CE1 4.44Å; V322-F332 HydrophobicContact CG1-CD1 4.26Å; V322-F332 HydrophobicContact CG1-CE1 3.91Å; V322-F332 HydrophobicContact CG1-CZ 4.32Å; V322-F332 HydrophobicContact CG2-CD1 3.72Å; V322-F332 HydrophobicContact CG2-CE1 3.73Å |
| 323 | R | 76.7 | Confident | 74.5 | Confident | 125 Ų | 125 | 87.5 Ų | 87.5 | 47% | 0.472 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 148 | 176 | 70 | -177.1 | -174.9 | 98.6 | -16.4 | 111.3 | D325 W330 K331 | R323-D325 IonicContact NH1-OD1 3.75Å; R323-W330 CarbonylContact O-C 3.39Å; R323-W330 WeakPolarHBondContact O-CA 3.48Å; R323-K331 HydrophobicContact CG-CB 3.67Å; R323-K331 PolarHBondContact N-O 3.42Å; R323-K331 PolarHBondContact O-N 2.87Å |
| 324 | R | 76.1 | Confident | 75.5 | Confident | 139 Ų | 139 | 88.1 Ų | 88.1 | 53% | 0.525 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 145 | 166.9 | -76.9 | -72.1 | -168.3 | 169.3 | -0.2 | 109.8 | G328 G329 W330 | R324-G328 PolarHBondContact NH1-O 3.32Å; R324-G329 CarbonylContact C-O 3.59Å; R324-G329 WeakPolarHBondContact CA-O 3.47Å; R324-G329 WeakPolarHBondContact CD-O 3.31Å; R324-W330 HydrophobicContact CG-CD2 4.3Å; R324-W330 HydrophobicContact CG-CE3 3.78Å; R324-W330 HydrophobicContact CG-CH2 3.94Å; R324-W330 HydrophobicContact CG-CZ2 4.42Å; R324-W330 HydrophobicContact CG-CZ3 3.6Å; R324-W330 VanDerWaalsContact CZ-NE1 3.28Å; R324-W330 VanDerWaalsContact NE-CH2 3.3Å |
| 325 | D | 75.9 | Confident | 76.1 | Confident | 40 Ų | 40 | 87.6 Ų | 87.6 | 21% | 0.214 | 42% | 0.421 | C | S | . | . | trans | -92.9 | 161.2 | 170 | -144.6 | 17.1 | 0 | 0 | 0 | 110.9 | R323 E327 G328 G329 K331 | R323-D325 IonicContact NH1-OD1 3.75Å; D325-E327 PolarHBondContact O-N 2.78Å; D325-E327 VanDerWaalsContact OD2-OE2 3.13Å; D325-G328 PolarHBondContact O-N 2.84Å; D325-G329 PolarHBondContact N-O 2.81Å; D325-K331 VanDerWaalsContact CG-CE 3.48Å; D325-K331 WeakPolarHBondContact OD1-CE 3.44Å; D325-K331 IonicContact OD1-NZ 2.7Å; D325-K331 PolarHBondContact OD1-NZ 3.49Å; D325-K331 WeakPolarHBondContact OD2-CE 3.37Å; D325-K331 IonicContact OD2-NZ 2.87Å; D325-K331 PolarHBondContact OD2-NZ 3.48Å | ||
| 326 | E | 75.3 | Confident | 76.3 | Confident | 191 Ų | 191 | 86.9 Ų | 86.9 | 89% | 0.893 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -29.7 | 177.4 | -65 | -179.6 | -173 | 0 | 0 | 111.5 | G328 | E326-G328 PolarHBondContact O-N 3.44Š|
| 327 | E | 76.3 | Confident | 76.6 | Confident | 150 Ų | 150 | 84.8 Ų | 84.8 | 70% | 0.701 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | 5.6 | 174.1 | -60 | 75.8 | -167.7 | 0 | 0 | 113.3 | D325 G329 | D325-E327 PolarHBondContact O-N 2.78Å; D325-E327 VanDerWaalsContact OD2-OE2 3.13Å; E327-G329 VanDerWaalsContact C-N 3.3Å; E327-G329 PolarHBondContact O-N 2.8Å |
| 328 | G | 69.6 | Low | 76.4 | Confident | 43 Ų | 43 | 88.8 Ų | 88.8 | 44% | 0.443 | 43% | 0.434 | S | S | . | . | S | Bend | trans | 81.7 | 2.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115 | R324 D325 E326 | R324-G328 PolarHBondContact NH1-O 3.32Å; D325-G328 PolarHBondContact O-N 2.84Å; E326-G328 PolarHBondContact O-N 3.44Å |
| 329 | G | 72 | Confident | 75.7 | Confident | 34 Ų | 34 | 98.3 Ų | 98.3 | 35% | 0.351 | 50% | 0.496 | S | S | . | . | trans | -71.8 | 177.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | R324 D325 E327 | R324-G329 CarbonylContact C-O 3.59Å; R324-G329 WeakPolarHBondContact CA-O 3.47Å; R324-G329 WeakPolarHBondContact CD-O 3.31Å; D325-G329 PolarHBondContact N-O 2.81Å; E327-G329 VanDerWaalsContact C-N 3.3Å; E327-G329 PolarHBondContact O-N 2.8Å | ||
| 330 | W | 75.7 | Confident | 75.6 | Confident | 77 Ų | 77 | 99.9 Ų | 99.9 | 29% | 0.292 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 133.2 | 171 | -66.6 | 102.7 | 0 | 0 | 0 | 109.9 | V310 V322 R323 R324 F332 | V310-W330 HydrophobicContact CB-CD2 4.39Å; V310-W330 HydrophobicContact CB-CH2 4.19Å; V310-W330 HydrophobicContact CB-CZ2 4.03Å; V310-W330 HydrophobicContact CB-CZ3 4.44Å; V310-W330 HydrophobicContact CG2-CD2 3.97Å; V310-W330 VanDerWaalsContact CG2-CE2 3.47Å; V310-W330 HydrophobicContact CG2-CG 4.33Å; V310-W330 HydrophobicContact CG2-CH2 4.29Å; V310-W330 HydrophobicContact CG2-CZ2 3.63Å; V322-W330 HydrophobicContact CG1-CB 4.44Å; V322-W330 HydrophobicContact CG1-CD2 4.12Å; V322-W330 HydrophobicContact CG1-CE3 3.43Å; V322-W330 VanDerWaalsContact CG1-CE3 3.43Å; V322-W330 HydrophobicContact CG1-CZ3 3.9Å; R323-W330 CarbonylContact O-C 3.39Å; R323-W330 WeakPolarHBondContact O-CA 3.48Å; R324-W330 HydrophobicContact CG-CD2 4.3Å; R324-W330 HydrophobicContact CG-CE3 3.78Å; R324-W330 HydrophobicContact CG-CH2 3.94Å; R324-W330 HydrophobicContact CG-CZ2 4.42Å; R324-W330 HydrophobicContact CG-CZ3 3.6Å; R324-W330 VanDerWaalsContact CZ-NE1 3.28Å; R324-W330 VanDerWaalsContact NE-CH2 3.3Å; W330-F332 HydrophobicContact CB-CE2 4.09Å; W330-F332 HydrophobicContact CB-CZ 4.32Å |
| 331 | K | 75.9 | Confident | 75.4 | Confident | 81 Ų | 81 | 103.9 Ų | 103.9 | 35% | 0.352 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 133.2 | 174 | -74.4 | 176.3 | 172.4 | 156.1 | 0 | 109.6 | V322 R323 D325 | V322-K331 WeakPolarHBondContact CA-O 3.41Å; R323-K331 HydrophobicContact CG-CB 3.67Å; R323-K331 PolarHBondContact N-O 3.42Å; R323-K331 PolarHBondContact O-N 2.87Å; D325-K331 VanDerWaalsContact CG-CE 3.48Å; D325-K331 WeakPolarHBondContact OD1-CE 3.44Å; D325-K331 IonicContact OD1-NZ 2.7Å; D325-K331 PolarHBondContact OD1-NZ 3.49Å; D325-K331 WeakPolarHBondContact OD2-CE 3.37Å; D325-K331 IonicContact OD2-NZ 2.87Å; D325-K331 PolarHBondContact OD2-NZ 3.48Å |
| 332 | F | 81.1 | Confident | 75.5 | Confident | 132 Ų | 132 | 105.3 Ų | 105.3 | 58% | 0.579 | 53% | 0.531 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 133.4 | -179.4 | -61.3 | -92.7 | 0 | 0 | 0 | 109.3 | V310 F321 V322 W330 | V310-F332 HydrophobicContact CG1-CE1 3.88Å; V310-F332 HydrophobicContact CG1-CZ 4.11Å; F321-F332 CarbonylContact O-C 3.44Å; F321-F332 WeakPolarHBondContact O-CA 3.44Å; V322-F332 HydrophobicContact CB-CD1 4.48Å; V322-F332 HydrophobicContact CB-CE1 4.44Å; V322-F332 HydrophobicContact CG1-CD1 4.26Å; V322-F332 HydrophobicContact CG1-CE1 3.91Å; V322-F332 HydrophobicContact CG1-CZ 4.32Å; V322-F332 HydrophobicContact CG2-CD1 3.72Å; V322-F332 HydrophobicContact CG2-CE1 3.73Å; W330-F332 HydrophobicContact CB-CE2 4.09Å; W330-F332 HydrophobicContact CB-CZ 4.32Å |
| 333 | T | 79.5 | Confident | 75.4 | Confident | 69 Ų | 69 | 109.8 Ų | 109.8 | 42% | 0.423 | 55% | 0.552 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -127.5 | 118.1 | 176.7 | -55.2 | 0 | 0 | 0 | 0 | 109 | F321 | F321-T333 PolarHBondContact N-O 3.15Å; F321-T333 PolarHBondContact O-N 2.85Å |
| 334 | W | 82.4 | Confident | 75.3 | Confident | 125 Ų | 125 | 108.8 Ų | 108.8 | 47% | 0.473 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.8 | 125.2 | 175.3 | 178.5 | -104.6 | 0 | 0 | 0 | 110 | F315 Q317 A320 | F315-W334 HydrophobicContact CB-CH2 4.02Å; F315-W334 AromaticContact CD2-CH2 3.8Å; F315-W334 HydrophobicContact CD2-CH2 3.8Å; F315-W334 AromaticContact CD2-CZ3 3.6Å; F315-W334 HydrophobicContact CD2-CZ3 3.6Å; F315-W334 HydrophobicContact CE2-CZ3 4.17Å; F315-W334 HydrophobicContact CG-CH2 4.21Å; F315-W334 HydrophobicContact CG-CZ3 4.45Å; Q317-W334 HydrophobicContact CB-CZ2 4.19Å; A320-W334 HydrophobicContact CB-CE3 3.78Å; A320-W334 HydrophobicContact CB-CZ3 3.96Å |
| 335 | V | 78.8 | Confident | 75.3 | Confident | 70 Ų | 70 | 106.8 Ų | 106.8 | 42% | 0.424 | 56% | 0.559 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -112.9 | 106.4 | 171.7 | -178.3 | 0 | 0 | 0 | 0 | 107.9 | G318 Q319 F321 | G318-V335 CarbonylContact C-O 3.53Å; G318-V335 WeakPolarHBondContact CA-O 3.3Å; Q319-V335 PolarHBondContact N-O 3.4Å; Q319-V335 PolarHBondContact O-N 3.03Å; F321-V335 HydrophobicContact CD2-CG2 3.99Å; F321-V335 HydrophobicContact CE2-CB 4.11Å; F321-V335 HydrophobicContact CE2-CG2 3.66Å |
| 336 | P | 78.4 | Confident | 75.2 | Confident | 89 Ų | 89 | 111.6 Ų | 111.6 | 58% | 0.578 | 58% | 0.584 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -66 | 141.9 | 176 | 25.8 | -29.9 | 0 | 0 | 0 | 110.1 | Q317 | Q317-P336 WeakPolarHBondContact O-CA 3.36Å |
| 337 | K | 75 | Confident | 75.2 | Confident | 115 Ų | 115 | 105.5 Ų | 105.5 | 50% | 0.5 | 56% | 0.56 | S | S | . | * | P | Polyproline II helix | trans | -84.8 | 127.2 | 165 | -80.1 | 179.9 | 174.7 | -176.5 | 0 | 107.2 | Q317 | Q317-K337 PolarHBondContact O-N 3.21Š|
| 338 | E | 72.2 | Confident | 75.1 | Confident | 186 Ų | 186 | 101.8 Ų | 101.8 | 87% | 0.869 | 55% | 0.549 | S | S | * | . | P | Polyproline II helix | trans | -58.6 | 145.2 | 171.5 | -75.2 | -174.3 | 161.8 | 0 | 0 | 110.1 | ||
| 339 | P | 61.1 | Low | 75.6 | Confident | 200 Ų | 200 | 107.1 Ų | 107.1 | 100% | 1.299 | 56% | 0.558 | S | S | * | * | trans | -65.1 | 0 | -173.9 | 26.2 | -34.4 | 0 | 0 | 0 | 114.4 |
Retrieved 339 of 339 residues in 156.7 ms
(Link to these results)