| 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 | 41.2 | Very low | 44.9 | Very low | 252 Ų | 252 | 144.7 Ų | 144.7 | 100% | 1.241 | 81% | 0.811 | S | S | * | * | 0 | 123.7 | 0 | -68.6 | -158 | -80.2 | 0 | 0 | 106.5 | |||||
| 2 | G | 41.3 | Very low | 44.3 | Very low | 76 Ų | 76 | 139.9 Ų | 139.9 | 78% | 0.784 | 82% | 0.818 | S | S | * | * | cis | -135.3 | 171.4 | 21.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 3 | L | 38.9 | Very low | 43.9 | Very low | 181 Ų | 181 | 145.1 Ų | 145.1 | 95% | 0.948 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 136.1 | -171.7 | -64.2 | 149.7 | 0 | 0 | 0 | 110.7 | ||
| 4 | L | 44.4 | Very low | 43.3 | Very low | 155 Ų | 155 | 152.3 Ų | 152.3 | 81% | 0.812 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 139.7 | 167.1 | -74.3 | 160.7 | 0 | 0 | 0 | 109.5 | ||
| 5 | S | 53.6 | Low | 42.6 | Very low | 82 Ų | 82 | 148.7 Ų | 148.7 | 57% | 0.573 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 143.7 | -178.6 | -173.7 | 0 | 0 | 0 | 0 | 111.7 | E7 | S5-E7 PolarHBondContact O-N 2.91Å; S5-E7 VanDerWaalsContact O-N 3.08Å |
| 6 | V | 45.5 | Very low | 42.2 | Very low | 126 Ų | 126 | 150.8 Ų | 150.8 | 76% | 0.764 | 82% | 0.824 | S | S | * | * | G | 310 helix | trans | -69.4 | -4 | -173.2 | -173.6 | 0 | 0 | 0 | 0 | 113.1 | ||
| 7 | E | 45.3 | Very low | 41.5 | Very low | 159 Ų | 159 | 150.8 Ų | 150.8 | 74% | 0.743 | 83% | 0.83 | S | S | * | * | G | 310 helix | trans | -82.1 | -14.3 | -176.2 | -70.2 | -177.9 | 152.8 | 0 | 0 | 114.7 | S5 | S5-E7 PolarHBondContact O-N 2.91Å; S5-E7 VanDerWaalsContact O-N 3.08Å |
| 8 | E | 49.3 | Very low | 40.9 | Very low | 156 Ų | 156 | 154.7 Ų | 154.7 | 73% | 0.729 | 83% | 0.83 | S | S | * | * | G | 310 helix | trans | -91.8 | 0.7 | -176.5 | -68.6 | -174.8 | 154.5 | 0 | 0 | 114.7 | ||
| 9 | L | 46 | Very low | 40.6 | Very low | 162 Ų | 162 | 155.4 Ų | 155.4 | 85% | 0.848 | 83% | 0.828 | S | S | * | * | G | 310 helix | trans | -100.1 | 2.9 | -178.7 | -93 | 159.9 | 0 | 0 | 0 | 115.2 | ||
| 10 | V | 44.8 | Very low | 40.5 | Very low | 126 Ų | 126 | 152.2 Ų | 152.2 | 76% | 0.764 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -124.8 | -9.8 | -171.8 | -173 | 0 | 0 | 0 | 0 | 114.7 | G12 | V10-G12 PolarHBondContact O-N 3.16Š|
| 11 | T | 43.3 | Very low | 40.1 | Very low | 117 Ų | 117 | 153 Ų | 153 | 72% | 0.718 | 82% | 0.82 | S | S | * | * | trans | -103.9 | 73 | 179.8 | 53.6 | 0 | 0 | 0 | 0 | 111.4 | K13 | T11-K13 PolarHBondContact O-N 3.16Š| ||
| 12 | G | 38.6 | Very low | 39.8 | Very low | 87 Ų | 87 | 148 Ų | 148 | 90% | 0.897 | 80% | 0.798 | S | S | * | * | trans | -70.9 | 62.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | V10 | V10-G12 PolarHBondContact O-N 3.16Š| ||
| 13 | K | 38.5 | Very low | 39.6 | Very low | 207 Ų | 207 | 154 Ų | 154 | 90% | 0.9 | 80% | 0.803 | S | S | * | * | trans | -101.9 | 111.6 | 162.9 | -91.9 | -174.2 | 175.7 | 179.2 | 0 | 109.2 | T11 | T11-K13 PolarHBondContact O-N 3.16Š| ||
| 14 | R | 35.4 | Very low | 39.6 | Very low | 246 Ų | 246 | 151 Ų | 151 | 93% | 0.928 | 80% | 0.795 | S | S | * | * | trans | -100.1 | 132.3 | 158.2 | -131.6 | 179.8 | -171.8 | -175.6 | 1.5 | 108.5 | ||||
| 15 | S | 33.6 | Very low | 39.1 | Very low | 99 Ų | 99 | 147.1 Ų | 147.1 | 69% | 0.692 | 79% | 0.792 | S | S | * | * | trans | -60.4 | 133 | 178.7 | 38 | 0 | 0 | 0 | 0 | 113 | ||||
| 16 | E | 35.4 | Very low | 38.2 | Very low | 181 Ų | 181 | 146.2 Ų | 146.2 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | 81.9 | 116.2 | 110.3 | -70.1 | -172.6 | 168.6 | 0 | 0 | 116.1 | |||||
| 17 | V | 30.2 | Very low | 37.7 | Very low | 152 Ų | 152 | 148.9 Ų | 148.9 | 92% | 0.921 | 80% | 0.799 | S | S | * | * | -149.6 | 135.9 | 115.5 | 180 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 18 | R | 31.4 | Very low | 37.2 | Very low | 221 Ų | 221 | 151.9 Ų | 151.9 | 83% | 0.834 | 81% | 0.805 | S | S | * | * | trans | -106.4 | 148.5 | -175.9 | -146.6 | -178.2 | -163.2 | -175.2 | 2.8 | 109.4 | ||||
| 19 | E | 34.1 | Very low | 36.7 | Very low | 168 Ų | 168 | 152.7 Ų | 152.7 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | trans | 160 | 154.7 | 134.2 | -81.4 | -74.7 | 124.2 | 0 | 0 | 110.6 | ||||
| 20 | P | 40.1 | Very low | 36.3 | Very low | 90 Ų | 90 | 149.1 Ų | 149.1 | 58% | 0.584 | 80% | 0.803 | S | S | * | * | -111.9 | 157.4 | -125.9 | 40 | -35.2 | 0 | 0 | 0 | 113.9 | |||||
| 21 | N | 30.9 | Very low | 35.8 | Very low | 169 Ų | 169 | 147.8 Ų | 147.8 | 90% | 0.904 | 81% | 0.805 | S | S | * | * | trans | -151.3 | 118.8 | 149.2 | -90.4 | -41.5 | 0 | 0 | 0 | 109.3 | ||||
| 22 | D | 35.7 | Very low | 35.3 | Very low | 147 Ų | 147 | 151.9 Ų | 151.9 | 79% | 0.786 | 81% | 0.813 | S | S | * | * | trans | -55.7 | 137.9 | 172.3 | -69.5 | -53 | 0 | 0 | 0 | 111.7 | ||||
| 23 | F | 36.7 | Very low | 35.1 | Very low | 204 Ų | 204 | 158.8 Ų | 158.8 | 90% | 0.895 | 81% | 0.812 | S | S | * | * | -176.3 | 141.1 | 129.5 | -96.7 | -73.2 | 0 | 0 | 0 | 108.6 | |||||
| 24 | P | 38.2 | Very low | 35 | Very low | 118 Ų | 118 | 155.8 Ų | 155.8 | 77% | 0.766 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -78 | 138.7 | -167.3 | 30.9 | -27.9 | 0 | 0 | 0 | 111.4 | ||
| 25 | G | 34.4 | Very low | 34.9 | Very low | 73 Ų | 73 | 150.9 Ų | 150.9 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 131.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | E27 | G25-E27 PolarHBondContact O-N 3.22Š|
| 26 | G | 34.8 | Very low | 35 | Very low | 62 Ų | 62 | 157 Ų | 157 | 64% | 0.639 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 124.1 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y28 | G26-Y28 WeakPolarHBondContact O-CD1 3.39Å; G26-Y28 WeakPolarHBondContact O-CE1 3.46Å; G26-Y28 PolarHBondContact O-N 2.89Å |
| 27 | E | 35.2 | Very low | 35 | Very low | 183 Ų | 183 | 159.1 Ų | 159.1 | 86% | 0.855 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -70 | 123.5 | 173.8 | -64 | 177.5 | 162.8 | 0 | 0 | 109.7 | G25 E29 | G25-E27 PolarHBondContact O-N 3.22Å; E27-E29 PolarHBondContact O-N 2.93Å |
| 28 | Y | 34.3 | Very low | 35.3 | Very low | 221 Ų | 221 | 157.6 Ų | 157.6 | 87% | 0.867 | 80% | 0.802 | S | S | * | * | trans | -90.5 | 97.6 | 170.6 | 11 | -93.5 | 0 | 0 | 0 | 108.3 | G26 A30 | G26-Y28 WeakPolarHBondContact O-CD1 3.39Å; G26-Y28 WeakPolarHBondContact O-CE1 3.46Å; G26-Y28 PolarHBondContact O-N 2.89Å; Y28-A30 PolarHBondContact O-N 2.98Å | ||
| 29 | E | 39.9 | Very low | 35.4 | Very low | 174 Ų | 174 | 155.4 Ų | 155.4 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | trans | -68 | 103.4 | 166.6 | -86.8 | -73.8 | 172.1 | 0 | 0 | 109.5 | E27 A31 | E27-E29 PolarHBondContact O-N 2.93Å; E29-A31 PolarHBondContact O-N 2.78Å | ||
| 30 | A | 37.4 | Very low | 35.2 | Very low | 86 Ų | 86 | 156.1 Ų | 156.1 | 71% | 0.711 | 81% | 0.81 | S | S | * | * | trans | -83.1 | 106.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | Y28 K32 | Y28-A30 PolarHBondContact O-N 2.98Å; A30-K32 PolarHBondContact O-N 3.41Å | ||
| 31 | A | 32.9 | Very low | 34.9 | Very low | 99 Ų | 99 | 160.7 Ų | 160.7 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | trans | -52.8 | 108.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | E29 | E29-A31 PolarHBondContact O-N 2.78Š| ||
| 32 | K | 34.7 | Very low | 34.9 | Very low | 203 Ų | 203 | 160.6 Ų | 160.6 | 88% | 0.883 | 82% | 0.822 | S | S | * | * | trans | -82.2 | 111.7 | 158.1 | -80.7 | -179.2 | 177.5 | 175.9 | 0 | 107.8 | A30 D34 | A30-K32 PolarHBondContact O-N 3.41Å; K32-D34 PolarHBondContact O-N 3.41Å | ||
| 33 | R | 34.3 | Very low | 35 | Very low | 231 Ų | 231 | 159.7 Ų | 159.7 | 87% | 0.872 | 82% | 0.824 | S | S | * | * | trans | -77.4 | 114.1 | 160.6 | -79.8 | -178.5 | 177.9 | 157.6 | -0.9 | 107.7 | ||||
| 34 | D | 34.5 | Very low | 34.7 | Very low | 145 Ų | 145 | 153.6 Ų | 153.6 | 78% | 0.775 | 82% | 0.819 | S | S | * | * | trans | -92 | 88.4 | 174.2 | -154.9 | 14.1 | 0 | 0 | 0 | 107.5 | K32 R36 | K32-D34 PolarHBondContact O-N 3.41Å; D34-R36 PolarHBondContact O-N 3.34Å | ||
| 35 | D | 33.8 | Very low | 34.2 | Very low | 143 Ų | 143 | 152.1 Ų | 152.1 | 77% | 0.765 | 83% | 0.825 | S | S | * | * | trans | -79.8 | 76.8 | 173.6 | -89.3 | -30.8 | 0 | 0 | 0 | 109.2 | R37 | D35-R37 VanDerWaalsContact C-N 3.3Å; D35-R37 PolarHBondContact O-N 3.03Å; D35-R37 VanDerWaalsContact O-N 3.17Å | ||
| 36 | R | 37 | Very low | 34 | Very low | 226 Ų | 226 | 152.7 Ų | 152.7 | 85% | 0.853 | 83% | 0.83 | S | S | * | * | trans | -85.3 | 75.1 | 169.6 | -152 | 175.8 | -177.6 | -167 | -0.4 | 108.9 | D34 | D34-R36 PolarHBondContact O-N 3.34Š| ||
| 37 | R | 35 | Very low | 33.7 | Very low | 227 Ų | 227 | 153.6 Ų | 153.6 | 86% | 0.857 | 84% | 0.84 | S | S | * | * | trans | -86.9 | 109.7 | 163.7 | -82.4 | -174 | 178.4 | -177.5 | -0.6 | 109.3 | D35 L39 | D35-R37 VanDerWaalsContact C-N 3.3Å; D35-R37 PolarHBondContact O-N 3.03Å; D35-R37 VanDerWaalsContact O-N 3.17Å; R37-L39 PolarHBondContact O-N 3.32Å | ||
| 38 | S | 35.3 | Very low | 33.5 | Very low | 119 Ų | 119 | 149.4 Ų | 149.4 | 83% | 0.832 | 84% | 0.837 | S | S | * | * | trans | -44.4 | 114.5 | 168.1 | 11.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 39 | L | 33.5 | Very low | 33.4 | Very low | 175 Ų | 175 | 144.4 Ų | 144.4 | 92% | 0.916 | 83% | 0.834 | S | S | * | * | trans | -90.9 | 111.3 | 162.5 | -80.4 | 167.8 | 0 | 0 | 0 | 108.2 | R37 | R37-L39 PolarHBondContact O-N 3.32Š| ||
| 40 | Q | 31.6 | Very low | 33 | Very low | 184 Ų | 184 | 145.2 Ų | 145.2 | 86% | 0.86 | 84% | 0.838 | S | S | * | * | trans | -72.2 | 130.1 | 172.9 | -170 | 158 | -3.4 | 0 | 0 | 109 | ||||
| 41 | E | 33 | Very low | 32.9 | Very low | 186 Ų | 186 | 149.4 Ų | 149.4 | 87% | 0.869 | 84% | 0.843 | S | S | * | * | trans | -60.7 | 134.6 | 177.5 | -64 | 179.8 | 152.8 | 0 | 0 | 111.7 | ||||
| 42 | L | 30.1 | Very low | 32.9 | Very low | 167 Ų | 167 | 153.6 Ų | 153.6 | 87% | 0.874 | 85% | 0.845 | S | S | * | * | trans | -136.1 | 140.2 | 156.3 | -78.8 | 174 | 0 | 0 | 0 | 109.1 | ||||
| 43 | P | 38.5 | Very low | 32.9 | Very low | 127 Ų | 127 | 149.4 Ų | 149.4 | 83% | 0.825 | 84% | 0.837 | S | S | * | * | trans | -94 | 152.8 | -172.7 | 36.8 | -32.4 | 0 | 0 | 0 | 112.1 | ||||
| 44 | G | 30 | Very low | 33.2 | Very low | 77 Ų | 77 | 143 Ų | 143 | 79% | 0.794 | 83% | 0.827 | S | S | * | * | trans | 141.9 | 97.7 | 154 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 45 | G | 28.7 | Very low | 33.6 | Very low | 87 Ų | 87 | 142.5 Ų | 142.5 | 90% | 0.897 | 83% | 0.829 | S | S | * | * | 82.7 | 123.2 | 123.7 | 0 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 46 | G | 28.9 | Very low | 34.7 | Very low | 84 Ų | 84 | 139.1 Ų | 139.1 | 87% | 0.866 | 81% | 0.813 | S | S | * | * | trans | 121.7 | 107.9 | 148.6 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 47 | G | 29.2 | Very low | 35.6 | Very low | 82 Ų | 82 | 132.7 Ų | 132.7 | 85% | 0.845 | 81% | 0.808 | S | S | * | * | trans | -85.5 | 164.2 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 48 | A | 30.6 | Very low | 36.8 | Very low | 94 Ų | 94 | 125.4 Ų | 125.4 | 78% | 0.777 | 79% | 0.786 | S | S | * | * | trans | 175.6 | 137.4 | 137.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 49 | S | 33.5 | Very low | 38.1 | Very low | 116 Ų | 116 | 124.6 Ų | 124.6 | 81% | 0.811 | 77% | 0.773 | S | S | * | * | trans | 60.6 | 91 | 169.5 | 58.9 | 0 | 0 | 0 | 0 | 117.7 | E51 | S49-E51 PolarHBondContact O-N 3.12Å; S49-E51 VanDerWaalsContact O-N 3.07Å | ||
| 50 | E | 31.5 | Very low | 39.6 | Very low | 191 Ų | 191 | 120.1 Ų | 120.1 | 89% | 0.893 | 75% | 0.753 | S | S | * | * | trans | -63 | 94.6 | 157.3 | -68.7 | 173 | 160.2 | 0 | 0 | 109.6 | ||||
| 51 | E | 34.7 | Very low | 41.4 | Very low | 174 Ų | 174 | 113.8 Ų | 113.8 | 81% | 0.813 | 73% | 0.725 | S | S | * | * | trans | -83.3 | 102.1 | 145.2 | -81.1 | -170.3 | 164.9 | 0 | 0 | 106.3 | S49 V53 | S49-E51 PolarHBondContact O-N 3.12Å; S49-E51 VanDerWaalsContact O-N 3.07Å; E51-V53 VanDerWaalsContact C-N 3.27Å; E51-V53 PolarHBondContact O-N 3.15Å | ||
| 52 | E | 32.8 | Very low | 43.1 | Very low | 187 Ų | 187 | 117.8 Ų | 117.8 | 87% | 0.874 | 73% | 0.732 | S | S | * | * | trans | -57.3 | 92.5 | 167.5 | -81.6 | -169.1 | 144.2 | 0 | 0 | 109.2 | S54 | E52-S54 VanDerWaalsContact C-N 3.25Å; E52-S54 PolarHBondContact O-N 2.87Å | ||
| 53 | V | 35.1 | Very low | 45 | Very low | 116 Ų | 116 | 113.7 Ų | 113.7 | 70% | 0.703 | 72% | 0.717 | S | S | * | * | trans | -74.2 | 91.3 | 163.7 | -172.3 | 0 | 0 | 0 | 0 | 106.1 | E51 V55 | E51-V53 VanDerWaalsContact C-N 3.27Å; E51-V53 PolarHBondContact O-N 3.15Å; V53-V55 VanDerWaalsContact O-CG2 3.28Å; V53-V55 WeakPolarHBondContact O-CG2 3.29Å; V53-V55 PolarHBondContact O-N 3.49Å | ||
| 54 | S | 40.5 | Very low | 46.2 | Very low | 97 Ų | 97 | 110.5 Ų | 110.5 | 68% | 0.678 | 71% | 0.707 | S | S | * | * | trans | -50.9 | 101.3 | 166 | 164.2 | 0 | 0 | 0 | 0 | 108.9 | E52 V56 | E52-S54 VanDerWaalsContact C-N 3.25Å; E52-S54 PolarHBondContact O-N 2.87Å; S54-V56 VanDerWaalsContact C-N 3.28Å; S54-V56 PolarHBondContact O-N 3.5Å; S54-V56 VanDerWaalsContact O-N 3.08Å | ||
| 55 | V | 43.1 | Very low | 47.8 | Very low | 133 Ų | 133 | 115.7 Ų | 115.7 | 81% | 0.806 | 70% | 0.703 | S | S | * | * | trans | -81.3 | 86.2 | 172.6 | -151.5 | 0 | 0 | 0 | 0 | 105.5 | V53 A57 | V53-V55 VanDerWaalsContact O-CG2 3.28Å; V53-V55 WeakPolarHBondContact O-CG2 3.29Å; V53-V55 PolarHBondContact O-N 3.49Å; V55-A57 PolarHBondContact O-N 2.82Å | ||
| 56 | V | 56.1 | Low | 49.6 | Very low | 72 Ų | 72 | 114.8 Ų | 114.8 | 44% | 0.436 | 68% | 0.677 | S | S | . | * | trans | -55.2 | 115.2 | 176.2 | -177.5 | 0 | 0 | 0 | 0 | 107.8 | S54 L58 | S54-V56 VanDerWaalsContact C-N 3.28Å; S54-V56 PolarHBondContact O-N 3.5Å; S54-V56 VanDerWaalsContact O-N 3.08Å; V56-L58 HydrophobicContact CG1-CD2 4.49Å; V56-L58 PolarHBondContact O-N 3.34Å | ||
| 57 | A | 56 | Low | 51.3 | Low | 91 Ų | 91 | 115.3 Ų | 115.3 | 75% | 0.752 | 66% | 0.655 | S | S | * | * | trans | -64.9 | 104.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | V55 N59 | V55-A57 PolarHBondContact O-N 2.82Å; A57-N59 PolarHBondContact O-N 3Å | ||
| 58 | L | 60 | Low | 53.3 | Low | 74 Ų | 74 | 116.3 Ų | 116.3 | 39% | 0.387 | 64% | 0.641 | S | S | . | * | trans | -83.5 | 112.7 | -177.4 | -71.8 | 175.5 | 0 | 0 | 0 | 109.8 | V56 T60 L66 L80 | V56-L58 HydrophobicContact CG1-CD2 4.49Å; V56-L58 PolarHBondContact O-N 3.34Å; L58-T60 PolarHBondContact O-N 3.33Å; L58-L66 HydrophobicContact CB-CD2 3.54Å; L58-L66 HydrophobicContact CD1-CD2 3.94Å; L58-L66 HydrophobicContact CD2-CD2 4.3Å; L58-L66 HydrophobicContact CG-CD2 4.13Å; L58-L80 HydrophobicContact CD1-CD1 4.17Å | ||
| 59 | N | 62.7 | Low | 55.1 | Low | 103 Ų | 103 | 117.7 Ų | 117.7 | 55% | 0.551 | 63% | 0.631 | S | S | * | * | trans | -66.2 | 124.8 | 175.3 | -83.7 | -22.7 | 0 | 0 | 0 | 110.5 | A57 L66 K67 | A57-N59 PolarHBondContact O-N 3Å; N59-L66 WeakPolarHBondContact O-CA 3.48Å; N59-K67 HydrophobicContact CB-CB 4.49Å; N59-K67 PolarHBondContact O-N 2.88Å | ||
| 60 | T | 64.5 | Low | 57.1 | Low | 81 Ų | 81 | 115.7 Ų | 115.7 | 50% | 0.497 | 61% | 0.614 | S | S | . | * | B | Isolated β-bridge | trans | -112.2 | 146.1 | 175.4 | 49.7 | 0 | 0 | 0 | 0 | 110.7 | L58 R65 L66 | L58-T60 PolarHBondContact O-N 3.33Å; T60-R65 CarbonylContact C-O 3.52Å; T60-R65 VanDerWaalsContact CA-O 3.25Å; T60-R65 WeakPolarHBondContact CA-O 3.36Å; T60-L66 HydrophobicContact CG2-CD2 3.96Å |
| 61 | D | 69.1 | Low | 59.1 | Low | 51 Ų | 51 | 112.4 Ų | 112.4 | 27% | 0.273 | 61% | 0.607 | S | S | . | * | trans | -78 | 174.1 | 171.5 | 69.2 | 16.4 | 0 | 0 | 0 | 111.3 | S63 G64 R65 K67 | D61-S63 PolarHBondContact O-N 3.38Å; D61-S63 VanDerWaalsContact OD1-CA 3.26Å; D61-S63 WeakPolarHBondContact OD1-CA 3.3Å; D61-S63 WeakPolarHBondContact OD1-CB 3.45Å; D61-S63 PolarHBondContact OD1-N 3.1Å; D61-S63 PolarHBondContact OD1-OG 3.04Å; D61-S63 PolarHBondContact OD2-OG 3.45Å; D61-S63 VanDerWaalsContact OD2-OG 3.14Å; D61-G64 PolarHBondContact O-N 2.96Å; D61-G64 PolarHBondContact OD1-N 2.91Å; D61-G64 VanDerWaalsContact OD1-N 3.09Å; D61-R65 PolarHBondContact N-O 2.88Å; D61-R65 PolarHBondContact OD1-N 3.28Å; D61-K67 HydrophobicContact CB-CD 4.33Å; D61-K67 HydrophobicContact CB-CG 3.76Å | ||
| 62 | R | 68.5 | Low | 61.2 | Low | 269 Ų | 269 | 109.5 Ų | 109.5 | 100% | 1.015 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.9 | -11.6 | 178.2 | -66.6 | -176 | 178.4 | -175.2 | -0.3 | 113.4 | ||
| 63 | S | 70.5 | Confident | 63.1 | Low | 82 Ų | 82 | 102.4 Ų | 102.4 | 57% | 0.573 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.4 | 2.3 | 175 | 80 | 0 | 0 | 0 | 0 | 113.3 | D61 R65 | D61-S63 PolarHBondContact O-N 3.38Å; D61-S63 VanDerWaalsContact OD1-CA 3.26Å; D61-S63 WeakPolarHBondContact OD1-CA 3.3Å; D61-S63 WeakPolarHBondContact OD1-CB 3.45Å; D61-S63 PolarHBondContact OD1-N 3.1Å; D61-S63 PolarHBondContact OD1-OG 3.04Å; D61-S63 PolarHBondContact OD2-OG 3.45Å; D61-S63 VanDerWaalsContact OD2-OG 3.14Å; S63-R65 VanDerWaalsContact C-N 3.27Å; S63-R65 PolarHBondContact O-N 3.3Å; S63-R65 WeakPolarHBondContact OG-CG 3.42Å |
| 64 | G | 64.6 | Low | 65.2 | Low | 59 Ų | 59 | 101 Ų | 101 | 61% | 0.608 | 55% | 0.554 | S | S | * | * | S | Bend | trans | 75.1 | 12.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | D61 | D61-G64 PolarHBondContact O-N 2.96Å; D61-G64 PolarHBondContact OD1-N 2.91Å; D61-G64 VanDerWaalsContact OD1-N 3.09Å |
| 65 | R | 63.5 | Low | 67.1 | Low | 186 Ų | 186 | 102 Ų | 102 | 70% | 0.702 | 55% | 0.546 | S | S | * | . | P | Polyproline II helix | trans | -90.3 | 144.7 | 174.5 | -65.2 | 179.8 | -180 | -167.4 | 2.2 | 109.7 | T60 D61 S63 K67 | T60-R65 CarbonylContact C-O 3.52Å; T60-R65 VanDerWaalsContact CA-O 3.25Å; T60-R65 WeakPolarHBondContact CA-O 3.36Å; D61-R65 PolarHBondContact N-O 2.88Å; D61-R65 PolarHBondContact OD1-N 3.28Å; S63-R65 VanDerWaalsContact C-N 3.27Å; S63-R65 PolarHBondContact O-N 3.3Å; S63-R65 WeakPolarHBondContact OG-CG 3.42Å; R65-K67 PolarHBondContact O-N 2.94Å |
| 66 | L | 66.5 | Low | 68.9 | Low | 68 Ų | 68 | 98 Ų | 98 | 36% | 0.356 | 52% | 0.52 | S | S | . | . | B | Isolated β-bridge | trans | -62.5 | 124.4 | 176.2 | -66.7 | 170.9 | 0 | 0 | 0 | 109.5 | L58 N59 T60 L68 I77 | L58-L66 HydrophobicContact CB-CD2 3.54Å; L58-L66 HydrophobicContact CD1-CD2 3.94Å; L58-L66 HydrophobicContact CD2-CD2 4.3Å; L58-L66 HydrophobicContact CG-CD2 4.13Å; N59-L66 WeakPolarHBondContact O-CA 3.48Å; T60-L66 HydrophobicContact CG2-CD2 3.96Å; L66-L68 PolarHBondContact O-N 3.5Å; L66-I77 HydrophobicContact CB-CD1 4.29Å; L66-I77 HydrophobicContact CD1-CD1 3.96Å; L66-I77 HydrophobicContact CD1-CG1 3.93Å |
| 67 | K | 65.3 | Low | 70.1 | Confident | 95 Ų | 95 | 96.4 Ų | 96.4 | 41% | 0.413 | 51% | 0.508 | S | S | . | . | P | Polyproline II helix | trans | -74.6 | 119.5 | 171.7 | -75.1 | -176.9 | 172.3 | -172.5 | 0 | 108.1 | N59 D61 R65 E69 | N59-K67 HydrophobicContact CB-CB 4.49Å; N59-K67 PolarHBondContact O-N 2.88Å; D61-K67 HydrophobicContact CB-CD 4.33Å; D61-K67 HydrophobicContact CB-CG 3.76Å; R65-K67 PolarHBondContact O-N 2.94Å; K67-E69 HydrophobicContact CB-CG 4.16Å; K67-E69 WeakPolarHBondContact CD-OE1 2.96Å; K67-E69 IonicContact NZ-OE1 2.65Å; K67-E69 PolarHBondContact O-N 3.41Å |
| 68 | L | 69.9 | Low | 71.3 | Confident | 104 Ų | 104 | 96.7 Ų | 96.7 | 55% | 0.545 | 50% | 0.497 | S | S | . | . | trans | -90.1 | 94.2 | 172.7 | -74.9 | 171.2 | 0 | 0 | 0 | 107.6 | L66 D73 L74 I77 | L66-L68 PolarHBondContact O-N 3.5Å; L68-D73 HydrophobicContact CD2-CB 3.65Å; L68-L74 HydrophobicContact CD2-CB 4.41Å; L68-I77 HydrophobicContact CD1-CD1 4.43Å; L68-I77 HydrophobicContact CD2-CD1 3.46Å; L68-I77 VanDerWaalsContact CD2-CD1 3.46Å; L68-I77 HydrophobicContact CG-CD1 4.11Å | ||
| 69 | E | 69.6 | Low | 72.4 | Confident | 123 Ų | 123 | 96.5 Ų | 96.5 | 58% | 0.575 | 49% | 0.494 | S | S | * | . | trans | -101.9 | -24 | -179.4 | -66 | 179.5 | 177.3 | 0 | 0 | 111.1 | K67 D73 | K67-E69 HydrophobicContact CB-CG 4.16Å; K67-E69 WeakPolarHBondContact CD-OE1 2.96Å; K67-E69 IonicContact NZ-OE1 2.65Å; K67-E69 PolarHBondContact O-N 3.41Å; E69-D73 PolarHBondContact N-OD2 3.33Å | ||
| 70 | T | 74.4 | Confident | 73.2 | Confident | 73 Ų | 73 | 94.7 Ų | 94.7 | 45% | 0.448 | 48% | 0.484 | S | S | . | . | S | Bend | trans | -135.6 | 162.8 | -176.6 | 66.2 | 0 | 0 | 0 | 0 | 113 | D72 D73 | T70-D72 PolarHBondContact O-N 2.7Å; T70-D73 PolarHBondContact N-OD2 3.24Å; T70-D73 WeakPolarHBondContact O-CB 3.47Å; T70-D73 PolarHBondContact O-N 2.72Å; T70-D73 VanDerWaalsContact OG1-CG 3.25Å; T70-D73 PolarHBondContact OG1-N 2.88Å; T70-D73 PolarHBondContact OG1-OD2 3.26Å |
| 71 | V | 73.7 | Confident | 74 | Confident | 123 Ų | 123 | 99.4 Ų | 99.4 | 75% | 0.745 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.9 | -28.5 | 174.7 | -178.7 | 0 | 0 | 0 | 0 | 111.3 | D73 L74 F75 | V71-D73 VanDerWaalsContact C-N 3.34Å; V71-D73 PolarHBondContact O-N 2.95Å; V71-L74 WeakPolarHBondContact O-CB 3.48Å; V71-L74 PolarHBondContact O-N 3.3Å; V71-F75 PolarHBondContact O-N 2.77Å; V71-F75 VanDerWaalsContact O-N 3.11Å |
| 72 | D | 78.1 | Confident | 74.6 | Confident | 112 Ų | 112 | 102.7 Ų | 102.7 | 60% | 0.599 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.6 | -35.8 | 176.2 | -66.4 | -38 | 0 | 0 | 0 | 112.1 | T70 L74 F75 N76 | T70-D72 PolarHBondContact O-N 2.7Å; D72-L74 VanDerWaalsContact C-N 3.31Å; D72-L74 PolarHBondContact O-N 3.39Å; D72-F75 PolarHBondContact O-N 2.89Å; D72-N76 WeakPolarHBondContact O-CB 3.35Å; D72-N76 VanDerWaalsContact O-CG 3.25Å; D72-N76 PolarHBondContact O-N 3.4Å; D72-N76 PolarHBondContact O-ND2 2.97Å; D72-N76 VanDerWaalsContact O-ND2 3.16Å |
| 73 | D | 74.6 | Confident | 75.1 | Confident | 38 Ų | 38 | 97 Ų | 97 | 20% | 0.203 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -62.3 | -40.3 | 175 | -60.6 | -43.1 | 0 | 0 | 0 | 111.4 | L68 E69 T70 V71 N76 I77 | L68-D73 HydrophobicContact CD2-CB 3.65Å; E69-D73 PolarHBondContact N-OD2 3.33Å; T70-D73 PolarHBondContact N-OD2 3.24Å; T70-D73 WeakPolarHBondContact O-CB 3.47Å; T70-D73 PolarHBondContact O-N 2.72Å; T70-D73 VanDerWaalsContact OG1-CG 3.25Å; T70-D73 PolarHBondContact OG1-N 2.88Å; T70-D73 PolarHBondContact OG1-OD2 3.26Å; V71-D73 VanDerWaalsContact C-N 3.34Å; V71-D73 PolarHBondContact O-N 2.95Å; D73-N76 PolarHBondContact O-N 3.34Å; D73-I77 WeakPolarHBondContact O-CG1 3.3Å; D73-I77 PolarHBondContact O-N 3.35Å |
| 74 | L | 77.5 | Confident | 75.4 | Confident | 88 Ų | 88 | 102.2 Ų | 102.2 | 46% | 0.461 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.5 | -42.9 | 176.4 | -179.3 | 62.6 | 0 | 0 | 0 | 111.3 | L68 V71 D72 N76 I77 L78 | L68-L74 HydrophobicContact CD2-CB 4.41Å; V71-L74 WeakPolarHBondContact O-CB 3.48Å; V71-L74 PolarHBondContact O-N 3.3Å; D72-L74 VanDerWaalsContact C-N 3.31Å; D72-L74 PolarHBondContact O-N 3.39Å; L74-N76 VanDerWaalsContact C-N 3.34Å; L74-N76 PolarHBondContact O-N 3.19Å; L74-I77 PolarHBondContact O-N 2.88Å; L74-L78 HydrophobicContact CG-CD1 4.47Å; L74-L78 WeakPolarHBondContact O-CG 3.46Å; L74-L78 PolarHBondContact O-N 3.18Å |
| 75 | F | 81 | Confident | 75.8 | Confident | 118 Ų | 118 | 107.3 Ų | 107.3 | 52% | 0.518 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.7 | -44.5 | 175.8 | -172.8 | -99.1 | 0 | 0 | 0 | 111.2 | V71 D72 I77 L78 Q79 | V71-F75 PolarHBondContact O-N 2.77Å; V71-F75 VanDerWaalsContact O-N 3.11Å; D72-F75 PolarHBondContact O-N 2.89Å; F75-I77 PolarHBondContact O-N 3.44Å; F75-L78 PolarHBondContact O-N 2.88Å; F75-Q79 HydrophobicContact CD1-CG 4.15Å; F75-Q79 HydrophobicContact CE1-CG 3.86Å; F75-Q79 HydrophobicContact CZ-CG 4.23Å; F75-Q79 WeakPolarHBondContact O-CG 3.29Å; F75-Q79 PolarHBondContact O-N 3.07Å |
| 76 | N | 80.6 | Confident | 76.3 | Confident | 48 Ų | 48 | 102.8 Ų | 102.8 | 26% | 0.257 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.4 | -42.8 | 176.1 | -73.4 | -32.2 | 0 | 0 | 0 | 112.2 | D72 D73 L74 L78 Q79 L80 | D72-N76 WeakPolarHBondContact O-CB 3.35Å; D72-N76 VanDerWaalsContact O-CG 3.25Å; D72-N76 PolarHBondContact O-N 3.4Å; D72-N76 PolarHBondContact O-ND2 2.97Å; D72-N76 VanDerWaalsContact O-ND2 3.16Å; D73-N76 PolarHBondContact O-N 3.34Å; L74-N76 VanDerWaalsContact C-N 3.34Å; L74-N76 PolarHBondContact O-N 3.19Å; N76-L78 PolarHBondContact O-N 2.99Å; N76-Q79 PolarHBondContact O-N 3.16Å; N76-L80 WeakPolarHBondContact O-CB 3.3Å; N76-L80 VanDerWaalsContact O-CG 3.27Å; N76-L80 WeakPolarHBondContact O-CG 3.28Å; N76-L80 PolarHBondContact O-N 3.37Å |
| 77 | I | 81.2 | Confident | 76.4 | Confident | 38 Ų | 38 | 108.3 Ų | 108.3 | 20% | 0.195 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -63.5 | -41 | 176.3 | -70.6 | 178.4 | 0 | 0 | 0 | 111.8 | L66 L68 D73 L74 F75 L80 R81 | L66-I77 HydrophobicContact CB-CD1 4.29Å; L66-I77 HydrophobicContact CD1-CD1 3.96Å; L66-I77 HydrophobicContact CD1-CG1 3.93Å; L68-I77 HydrophobicContact CD1-CD1 4.43Å; L68-I77 HydrophobicContact CD2-CD1 3.46Å; L68-I77 VanDerWaalsContact CD2-CD1 3.46Å; L68-I77 HydrophobicContact CG-CD1 4.11Å; D73-I77 WeakPolarHBondContact O-CG1 3.3Å; D73-I77 PolarHBondContact O-N 3.35Å; L74-I77 PolarHBondContact O-N 2.88Å; F75-I77 PolarHBondContact O-N 3.44Å; I77-L80 PolarHBondContact O-N 3.22Å; I77-R81 PolarHBondContact O-N 3.42Å |
| 78 | L | 81.8 | Confident | 76.1 | Confident | 98 Ų | 98 | 111.1 Ų | 111.1 | 51% | 0.513 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65 | -42.4 | 177.7 | -72.3 | 173.4 | 0 | 0 | 0 | 111.5 | L74 F75 N76 R81 K82 | L74-L78 HydrophobicContact CG-CD1 4.47Å; L74-L78 WeakPolarHBondContact O-CG 3.46Å; L74-L78 PolarHBondContact O-N 3.18Å; F75-L78 PolarHBondContact O-N 2.88Å; N76-L78 PolarHBondContact O-N 2.99Å; L78-R81 PolarHBondContact O-N 3.42Å; L78-K82 WeakPolarHBondContact O-CB 3.38Å; L78-K82 PolarHBondContact O-N 2.98Å |
| 79 | Q | 82.3 | Confident | 75.4 | Confident | 69 Ų | 69 | 109.4 Ų | 109.4 | 32% | 0.322 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.4 | -41.6 | 174.2 | -67.9 | -62.1 | -16.5 | 0 | 0 | 111.8 | F75 N76 R81 K82 R83 | F75-Q79 HydrophobicContact CD1-CG 4.15Å; F75-Q79 HydrophobicContact CE1-CG 3.86Å; F75-Q79 HydrophobicContact CZ-CG 4.23Å; F75-Q79 WeakPolarHBondContact O-CG 3.29Å; F75-Q79 PolarHBondContact O-N 3.07Å; N76-Q79 PolarHBondContact O-N 3.16Å; Q79-R81 PolarHBondContact O-N 2.84Å; Q79-K82 PolarHBondContact O-N 3.32Å; Q79-R83 WeakPolarHBondContact O-CB 3.49Å; Q79-R83 WeakPolarHBondContact O-CG 3.44Å; Q79-R83 PolarHBondContact O-N 2.97Å |
| 80 | L | 79.2 | Confident | 74.6 | Confident | 65 Ų | 65 | 106.4 Ų | 106.4 | 34% | 0.34 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.6 | -39.4 | 175.5 | -74.9 | 168.5 | 0 | 0 | 0 | 112.4 | L58 N76 I77 R84 | L58-L80 HydrophobicContact CD1-CD1 4.17Å; N76-L80 WeakPolarHBondContact O-CB 3.3Å; N76-L80 VanDerWaalsContact O-CG 3.27Å; N76-L80 WeakPolarHBondContact O-CG 3.28Å; N76-L80 PolarHBondContact O-N 3.37Å; I77-L80 PolarHBondContact O-N 3.22Å; L80-R84 WeakPolarHBondContact O-CB 3.36Å; L80-R84 VanDerWaalsContact O-CG 3.3Å; L80-R84 WeakPolarHBondContact O-CG 2.89Å; L80-R84 PolarHBondContact O-N 2.8Å |
| 81 | R | 81.6 | Confident | 73.4 | Confident | 181 Ų | 181 | 108.8 Ų | 108.8 | 68% | 0.683 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.6 | -42.5 | 174.8 | -81.2 | -174.6 | 163.5 | -175.7 | -3.4 | 112 | I77 L78 Q79 R84 K85 | I77-R81 PolarHBondContact O-N 3.42Å; L78-R81 PolarHBondContact O-N 3.42Å; Q79-R81 PolarHBondContact O-N 2.84Å; R81-R84 PolarHBondContact O-N 3.46Å; R81-K85 WeakPolarHBondContact O-CB 3.38Å; R81-K85 PolarHBondContact O-N 2.95Å |
| 82 | K | 81.7 | Confident | 72.4 | Confident | 120 Ų | 120 | 110.7 Ų | 110.7 | 52% | 0.522 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.8 | -50.1 | 174.7 | -172.7 | 178.6 | 175.7 | -175.6 | 0 | 110.6 | L78 Q79 R84 K85 E86 | L78-K82 WeakPolarHBondContact O-CB 3.38Å; L78-K82 PolarHBondContact O-N 2.98Å; Q79-K82 PolarHBondContact O-N 3.32Å; K82-R84 PolarHBondContact O-N 3.17Å; K82-K85 WeakPolarHBondContact O-CB 3.37Å; K82-K85 PolarHBondContact O-N 3.26Å; K82-K85 VanDerWaalsContact O-N 3.13Å; K82-E86 WeakPolarHBondContact CE-OE1 3.48Å; K82-E86 WeakPolarHBondContact CG-OE1 3.23Å; K82-E86 WeakPolarHBondContact O-CB 3.38Å; K82-E86 WeakPolarHBondContact O-CG 3.34Å; K82-E86 PolarHBondContact O-N 3.34Å |
| 83 | R | 80.2 | Confident | 70.9 | Confident | 150 Ų | 150 | 113.2 Ų | 113.2 | 57% | 0.566 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.7 | -38.3 | 174.8 | -73.6 | 178 | 178.9 | -176.6 | -0.6 | 113.2 | Q79 E86 R87 | Q79-R83 WeakPolarHBondContact O-CB 3.49Å; Q79-R83 WeakPolarHBondContact O-CG 3.44Å; Q79-R83 PolarHBondContact O-N 2.97Å; R83-E86 PolarHBondContact O-N 3.31Å; R83-R87 VanDerWaalsContact O-CB 3.28Å; R83-R87 WeakPolarHBondContact O-CB 3.31Å; R83-R87 VanDerWaalsContact O-CG 3.31Å; R83-R87 WeakPolarHBondContact O-CG 3.32Å; R83-R87 PolarHBondContact O-N 3.25Å |
| 84 | R | 76.5 | Confident | 69.5 | Low | 190 Ų | 190 | 120.6 Ų | 120.6 | 72% | 0.717 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -67.4 | -39.5 | 174.3 | -79.9 | 179.8 | -178.3 | -175.2 | 2.2 | 111.7 | L80 R81 K82 K88 | L80-R84 WeakPolarHBondContact O-CB 3.36Å; L80-R84 VanDerWaalsContact O-CG 3.3Å; L80-R84 WeakPolarHBondContact O-CG 2.89Å; L80-R84 PolarHBondContact O-N 2.8Å; R81-R84 PolarHBondContact O-N 3.46Å; K82-R84 PolarHBondContact O-N 3.17Å; R84-K88 WeakPolarHBondContact O-CB 3.4Å; R84-K88 PolarHBondContact O-N 3.16Å |
| 85 | K | 73.6 | Confident | 68 | Low | 166 Ų | 166 | 122.6 Ų | 122.6 | 72% | 0.722 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -65.4 | -42.1 | 174.5 | -170.8 | 178.3 | 179.9 | -178.1 | 0 | 110.8 | R81 K82 K88 S89 | R81-K85 WeakPolarHBondContact O-CB 3.38Å; R81-K85 PolarHBondContact O-N 2.95Å; K82-K85 WeakPolarHBondContact O-CB 3.37Å; K82-K85 PolarHBondContact O-N 3.26Å; K82-K85 VanDerWaalsContact O-N 3.13Å; K85-K88 PolarHBondContact O-N 3.12Å; K85-S89 WeakPolarHBondContact O-CB 3.38Å; K85-S89 PolarHBondContact O-N 2.87Å; K85-S89 PolarHBondContact O-OG 3.06Å |
| 86 | E | 72.9 | Confident | 66.3 | Low | 92 Ų | 92 | 125.4 Ų | 125.4 | 43% | 0.43 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -67.2 | -46.7 | 177 | -74.3 | 167.6 | 177 | 0 | 0 | 112 | K82 R83 K88 S89 S90 | K82-E86 WeakPolarHBondContact CE-OE1 3.48Å; K82-E86 WeakPolarHBondContact CG-OE1 3.23Å; K82-E86 WeakPolarHBondContact O-CB 3.38Å; K82-E86 WeakPolarHBondContact O-CG 3.34Å; K82-E86 PolarHBondContact O-N 3.34Å; R83-E86 PolarHBondContact O-N 3.31Å; E86-K88 PolarHBondContact O-N 3.11Å; E86-S89 VanDerWaalsContact CA-OG 3.26Å; E86-S89 WeakPolarHBondContact CA-OG 3.44Å; E86-S89 CarbonylContact O-C 3.49Å; E86-S89 PolarHBondContact O-N 3.15Å; E86-S89 VanDerWaalsContact O-N 3.15Å; E86-S89 PolarHBondContact O-OG 2.7Å; E86-S90 WeakPolarHBondContact O-CB 3.5Å; E86-S90 PolarHBondContact O-N 2.82Å |
| 87 | R | 68.1 | Low | 65.1 | Low | 183 Ų | 183 | 128 Ų | 128 | 69% | 0.691 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -62 | -41.8 | 172.5 | -76.7 | -179.2 | 179.3 | -177.1 | -0.2 | 111.8 | R83 S89 S90 V91 | R83-R87 VanDerWaalsContact O-CB 3.28Å; R83-R87 WeakPolarHBondContact O-CB 3.31Å; R83-R87 VanDerWaalsContact O-CG 3.31Å; R83-R87 WeakPolarHBondContact O-CG 3.32Å; R83-R87 PolarHBondContact O-N 3.25Å; R87-S89 VanDerWaalsContact C-N 3.3Å; R87-S89 PolarHBondContact O-N 3.31Å; R87-S90 PolarHBondContact O-N 3.36Å; R87-S90 PolarHBondContact O-OG 2.74Å; R87-V91 WeakPolarHBondContact O-CB 3.4Å; R87-V91 VanDerWaalsContact O-CG2 3.23Å; R87-V91 WeakPolarHBondContact O-CG2 3.49Å; R87-V91 PolarHBondContact O-N 3.28Å |
| 88 | K | 60.6 | Low | 63.8 | Low | 154 Ų | 154 | 134.3 Ų | 134.3 | 67% | 0.67 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -62.3 | -41.6 | 174 | -160.8 | 171.8 | -174.7 | -179.4 | 0 | 110.1 | R84 K85 E86 F92 | R84-K88 WeakPolarHBondContact O-CB 3.4Å; R84-K88 PolarHBondContact O-N 3.16Å; K85-K88 PolarHBondContact O-N 3.12Å; E86-K88 PolarHBondContact O-N 3.11Å; K88-F92 VanDerWaalsContact O-CD2 3.25Å; K88-F92 WeakPolarHBondContact O-CD2 3.09Å; K88-F92 PolarHBondContact O-N 3.44Å |
| 89 | S | 53.4 | Low | 62.7 | Low | 69 Ų | 69 | 135.2 Ų | 135.2 | 48% | 0.483 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -71.3 | -26.9 | 174.8 | 69.2 | 0 | 0 | 0 | 0 | 114.4 | K85 E86 R87 F92 K93 | K85-S89 WeakPolarHBondContact O-CB 3.38Å; K85-S89 PolarHBondContact O-N 2.87Å; K85-S89 PolarHBondContact O-OG 3.06Å; E86-S89 VanDerWaalsContact CA-OG 3.26Å; E86-S89 WeakPolarHBondContact CA-OG 3.44Å; E86-S89 CarbonylContact O-C 3.49Å; E86-S89 PolarHBondContact O-N 3.15Å; E86-S89 VanDerWaalsContact O-N 3.15Å; E86-S89 PolarHBondContact O-OG 2.7Å; R87-S89 VanDerWaalsContact C-N 3.3Å; R87-S89 PolarHBondContact O-N 3.31Å; S89-F92 CarbonylContact O-C 3.44Å; S89-F92 VanDerWaalsContact O-C 3.24Å; S89-F92 PolarHBondContact O-N 3.28Å; S89-K93 PolarHBondContact O-N 3.35Å |
| 90 | S | 53.1 | Low | 61.7 | Low | 60 Ų | 60 | 136.7 Ų | 136.7 | 42% | 0.42 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -83.3 | -30 | 178.3 | 84.4 | 0 | 0 | 0 | 0 | 112.2 | E86 R87 F92 K93 | E86-S90 WeakPolarHBondContact O-CB 3.5Å; E86-S90 PolarHBondContact O-N 2.82Å; R87-S90 PolarHBondContact O-N 3.36Å; R87-S90 PolarHBondContact O-OG 2.74Å; S90-F92 PolarHBondContact O-N 3.25Å; S90-K93 WeakPolarHBondContact O-CB 3.23Å; S90-K93 PolarHBondContact O-N 3.24Å |
| 91 | V | 50.8 | Low | 61.3 | Low | 122 Ų | 122 | 139.7 Ų | 139.7 | 74% | 0.739 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -65.1 | -24.9 | 165.3 | 174.5 | 0 | 0 | 0 | 0 | 110.4 | R87 | R87-V91 WeakPolarHBondContact O-CB 3.4Å; R87-V91 VanDerWaalsContact O-CG2 3.23Å; R87-V91 WeakPolarHBondContact O-CG2 3.49Å; R87-V91 PolarHBondContact O-N 3.28Å |
| 92 | F | 50.8 | Low | 61 | Low | 164 Ų | 164 | 134.1 Ų | 134.1 | 72% | 0.719 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | 6.5 | 168.2 | -80.7 | -75.8 | 0 | 0 | 0 | 114.2 | K88 S89 S90 K94 | K88-F92 VanDerWaalsContact O-CD2 3.25Å; K88-F92 WeakPolarHBondContact O-CD2 3.09Å; K88-F92 PolarHBondContact O-N 3.44Å; S89-F92 CarbonylContact O-C 3.44Å; S89-F92 VanDerWaalsContact O-C 3.24Å; S89-F92 PolarHBondContact O-N 3.28Å; S90-F92 PolarHBondContact O-N 3.25Å; F92-K94 VanDerWaalsContact C-N 3.28Å; F92-K94 PolarHBondContact O-N 2.93Å |
| 93 | K | 48.3 | Very low | 60.9 | Low | 165 Ų | 165 | 130.8 Ų | 130.8 | 72% | 0.717 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -71.7 | 96.6 | 164.8 | -85 | -177.8 | 176 | -174.7 | 0 | 106.8 | S89 S90 T95 | S89-K93 PolarHBondContact O-N 3.35Å; S90-K93 WeakPolarHBondContact O-CB 3.23Å; S90-K93 PolarHBondContact O-N 3.24Å; K93-T95 PolarHBondContact O-N 3.26Å |
| 94 | K | 45 | Very low | 60.9 | Low | 192 Ų | 192 | 132 Ų | 132 | 84% | 0.835 | 66% | 0.656 | S | S | * | * | trans | -22.2 | 106.8 | 158 | -133.4 | 175.5 | -177.9 | -176.6 | 0 | 109.6 | F92 E96 | F92-K94 VanDerWaalsContact C-N 3.28Å; F92-K94 PolarHBondContact O-N 2.93Å; K94-E96 PolarHBondContact O-N 3.26Å | ||
| 95 | T | 45.8 | Very low | 61.3 | Low | 130 Ų | 130 | 128.5 Ų | 128.5 | 80% | 0.798 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -49.6 | 123.5 | 157.6 | -26.7 | 0 | 0 | 0 | 0 | 105.7 | K93 | K93-T95 PolarHBondContact O-N 3.26Š|
| 96 | E | 45.9 | Very low | 62 | Low | 177 Ų | 177 | 121.6 Ų | 121.6 | 83% | 0.827 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 124.8 | 173.4 | -75.8 | 179.9 | 162.1 | 0 | 0 | 107.4 | K94 E98 | K94-E96 PolarHBondContact O-N 3.26Å; E96-E98 PolarHBondContact O-N 2.77Å; E96-E98 VanDerWaalsContact O-N 3.16Å |
| 97 | P | 54.4 | Low | 63 | Low | 102 Ų | 102 | 121.8 Ų | 121.8 | 66% | 0.662 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 123.3 | 179.7 | 25.1 | -30.4 | 0 | 0 | 0 | 107.4 | ||
| 98 | E | 54.2 | Low | 64.3 | Low | 172 Ų | 172 | 117.9 Ų | 117.9 | 80% | 0.804 | 62% | 0.621 | S | S | * | * | trans | -46 | 142.3 | 163 | -69.7 | -177.5 | 162.6 | 0 | 0 | 108.5 | E96 E100 | E96-E98 PolarHBondContact O-N 2.77Å; E96-E98 VanDerWaalsContact O-N 3.16Å; E98-E100 PolarHBondContact O-N 3.09Å | ||
| 99 | P | 57.3 | Low | 65.9 | Low | 117 Ų | 117 | 116.6 Ų | 116.6 | 76% | 0.76 | 62% | 0.617 | S | S | * | * | trans | -54.8 | 111.6 | -177.1 | 21.6 | -31.7 | 0 | 0 | 0 | 109.2 | T101 | P99-T101 VanDerWaalsContact C-N 3.31Å; P99-T101 PolarHBondContact O-N 2.81Å | ||
| 100 | E | 63 | Low | 67.8 | Low | 100 Ų | 100 | 116.3 Ų | 116.3 | 47% | 0.467 | 61% | 0.61 | S | S | . | * | trans | -63.2 | 95.1 | 177.8 | -79.4 | -175.3 | 158.3 | 0 | 0 | 107.8 | E98 V102 P121 | E98-E100 PolarHBondContact O-N 3.09Å; E100-V102 PolarHBondContact O-N 2.81Å; E100-V102 VanDerWaalsContact O-N 3.09Å; E100-P121 WeakPolarHBondContact OE2-CD 3.09Å; E100-P121 WeakPolarHBondContact OE2-CG 3.37Å | ||
| 101 | T | 70.6 | Confident | 69.9 | Low | 128 Ų | 128 | 113.4 Ų | 113.4 | 79% | 0.785 | 59% | 0.59 | S | S | * | * | trans | -69.3 | 107.1 | 173.6 | 45.8 | 0 | 0 | 0 | 0 | 107.3 | P99 P103 | P99-T101 VanDerWaalsContact C-N 3.31Å; P99-T101 PolarHBondContact O-N 2.81Å; T101-P103 VanDerWaalsContact O-CD 3.31Å; T101-P103 WeakPolarHBondContact O-CD 3.28Å | ||
| 102 | V | 75.4 | Confident | 72.1 | Confident | 64 Ų | 64 | 108 Ų | 108 | 39% | 0.388 | 56% | 0.557 | S | S | . | * | trans | -74.4 | 119.5 | 178 | -171.1 | 0 | 0 | 0 | 0 | 107.8 | E100 P121 V122 K125 | E100-V102 PolarHBondContact O-N 2.81Å; E100-V102 VanDerWaalsContact O-N 3.09Å; V102-P121 HydrophobicContact CG2-CB 3.95Å; V102-V122 HydrophobicContact CG1-CG2 4.49Å; V102-K125 HydrophobicContact CG1-CB 4.05Å; V102-K125 HydrophobicContact CG1-CD 3.32Å; V102-K125 HydrophobicContact CG1-CG 4.3Å | ||
| 103 | P | 79.7 | Confident | 74.3 | Confident | 49 Ų | 49 | 102.5 Ų | 102.5 | 32% | 0.318 | 54% | 0.537 | S | S | . | . | trans | -60.2 | 145.6 | 178.1 | -22 | 34.1 | 0 | 0 | 0 | 111.3 | T101 T105 L110 K125 | T101-P103 VanDerWaalsContact O-CD 3.31Å; T101-P103 WeakPolarHBondContact O-CD 3.28Å; P103-T105 VanDerWaalsContact C-N 3.34Å; P103-T105 PolarHBondContact O-N 2.97Å; P103-L110 HydrophobicContact CB-CD2 4.36Å; P103-L110 HydrophobicContact CG-CD2 4.06Å; P103-K125 WeakPolarHBondContact O-CD 3.38Å; P103-K125 WeakPolarHBondContact O-CE 3.34Å | ||
| 104 | E | 79.8 | Confident | 76.6 | Confident | 176 Ų | 176 | 94.7 Ų | 94.7 | 82% | 0.822 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -63.6 | -37.1 | -176.8 | -170.8 | 172 | -172.7 | 0 | 0 | 112.9 | K125 | E104-K125 WeakPolarHBondContact O-CE 3.24Å; E104-K125 PolarHBondContact O-NZ 3.49Å |
| 105 | T | 84.4 | Confident | 79.1 | Confident | 117 Ų | 117 | 85.6 Ų | 85.6 | 72% | 0.718 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -126 | 135.3 | 173 | 58.3 | 0 | 0 | 0 | 0 | 109.8 | P103 | P103-T105 VanDerWaalsContact C-N 3.34Å; P103-T105 PolarHBondContact O-N 2.97Å |
| 106 | V | 89 | Confident | 81.4 | Confident | 20 Ų | 20 | 82.4 Ų | 82.4 | 12% | 0.121 | 44% | 0.44 | C | S | . | . | trans | -112.5 | 116.7 | 178.7 | -175.4 | 0 | 0 | 0 | 0 | 109 | L110 F111 V122 K125 Y126 | V106-L110 HydrophobicContact CG1-CB 4.24Å; V106-L110 HydrophobicContact CG1-CD2 4.22Å; V106-L110 HydrophobicContact CG1-CG 4.15Å; V106-F111 HydrophobicContact CG1-CB 4.03Å; V106-V122 HydrophobicContact CG1-CG1 3.9Å; V106-V122 HydrophobicContact CG2-CG1 3.91Å; V106-K125 HydrophobicContact CG2-CD 4.26Å; V106-Y126 HydrophobicContact CB-CD2 4.01Å; V106-Y126 HydrophobicContact CG1-CD2 3.88Å; V106-Y126 HydrophobicContact CG1-CG 4.3Å; V106-Y126 WeakPolarHBondContact O-CD2 3.47Å | ||
| 107 | D | 93.6 | Very high | 83.8 | Confident | 96 Ų | 96 | 79 Ų | 79 | 51% | 0.513 | 43% | 0.425 | S | S | . | . | trans | -80.2 | 167.5 | 172.4 | 69.6 | 52.9 | 0 | 0 | 0 | 111.7 | Q109 L110 F111 | D107-Q109 VanDerWaalsContact C-N 3.28Å; D107-Q109 PolarHBondContact O-N 3.05Å; D107-Q109 WeakPolarHBondContact OD1-CA 3.31Å; D107-Q109 WeakPolarHBondContact OD1-CB 3.5Å; D107-Q109 PolarHBondContact OD1-N 3.34Å; D107-L110 PolarHBondContact O-N 3.34Å; D107-L110 WeakPolarHBondContact OD1-CB 3.41Å; D107-L110 PolarHBondContact OD1-N 3.41Å; D107-F111 VanDerWaalsContact O-CB 3.32Å; D107-F111 WeakPolarHBondContact O-CB 3.4Å; D107-F111 PolarHBondContact O-N 2.85Å | ||
| 108 | E | 94.4 | Very high | 85.8 | Confident | 102 Ų | 102 | 77.8 Ų | 77.8 | 48% | 0.477 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61.3 | -35.1 | -179 | -64.3 | -171.6 | 176.4 | 0 | 0 | 113.1 | F111 L112 A135 | E108-F111 WeakPolarHBondContact O-CB 3.4Å; E108-F111 PolarHBondContact O-N 3.39Å; E108-L112 WeakPolarHBondContact O-CB 3.44Å; E108-L112 VanDerWaalsContact O-CG 3.23Å; E108-L112 WeakPolarHBondContact O-CG 3.25Å; E108-L112 PolarHBondContact O-N 3.49Å; E108-A135 HydrophobicContact CG-CB 4.3Å |
| 109 | Q | 94.1 | Very high | 87.8 | Confident | 127 Ų | 127 | 73.3 Ų | 73.3 | 59% | 0.593 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -72.7 | -41.5 | -177.7 | 179.2 | 59.9 | 30.4 | 0 | 0 | 111 | D107 L112 T113 | D107-Q109 VanDerWaalsContact C-N 3.28Å; D107-Q109 PolarHBondContact O-N 3.05Å; D107-Q109 WeakPolarHBondContact OD1-CA 3.31Å; D107-Q109 WeakPolarHBondContact OD1-CB 3.5Å; D107-Q109 PolarHBondContact OD1-N 3.34Å; Q109-L112 PolarHBondContact O-N 3.15Å; Q109-T113 WeakPolarHBondContact O-CB 3.45Å; Q109-T113 PolarHBondContact O-N 2.93Å; Q109-T113 PolarHBondContact O-OG1 3.19Å |
| 110 | L | 94.8 | Very high | 89.7 | Confident | 62 Ų | 62 | 69.7 Ų | 69.7 | 33% | 0.325 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -65.9 | -41.1 | 173.9 | -176.7 | 59.1 | 0 | 0 | 0 | 110.5 | P103 V106 D107 T113 A114 | P103-L110 HydrophobicContact CB-CD2 4.36Å; P103-L110 HydrophobicContact CG-CD2 4.06Å; V106-L110 HydrophobicContact CG1-CB 4.24Å; V106-L110 HydrophobicContact CG1-CD2 4.22Å; V106-L110 HydrophobicContact CG1-CG 4.15Å; D107-L110 PolarHBondContact O-N 3.34Å; D107-L110 WeakPolarHBondContact OD1-CB 3.41Å; D107-L110 PolarHBondContact OD1-N 3.41Å; L110-T113 PolarHBondContact O-N 2.86Å; L110-A114 VanDerWaalsContact O-CB 3.25Å; L110-A114 WeakPolarHBondContact O-CB 3.28Å; L110-A114 PolarHBondContact O-N 2.85Å |
| 111 | F | 96.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -57.2 | -52.4 | 171.8 | 166.5 | -113.5 | 0 | 0 | 0 | 111.6 | V106 D107 E108 T113 A114 V115 V123 Y126 L127 A135 A143 L159 | V106-F111 HydrophobicContact CG1-CB 4.03Å; D107-F111 VanDerWaalsContact O-CB 3.32Å; D107-F111 WeakPolarHBondContact O-CB 3.4Å; D107-F111 PolarHBondContact O-N 2.85Å; E108-F111 WeakPolarHBondContact O-CB 3.4Å; E108-F111 PolarHBondContact O-N 3.39Å; F111-T113 PolarHBondContact O-N 3.31Å; F111-A114 PolarHBondContact O-N 2.82Å; F111-V115 HydrophobicContact CD2-CG2 4.32Å; F111-V115 HydrophobicContact CE2-CG2 4.07Å; F111-V115 HydrophobicContact CZ-CG2 4.29Å; F111-V115 VanDerWaalsContact O-CG2 3.31Å; F111-V115 WeakPolarHBondContact O-CG2 3.24Å; F111-V115 PolarHBondContact O-N 2.86Å; F111-V123 HydrophobicContact CE2-CB 4.49Å; F111-V123 HydrophobicContact CE2-CG1 4Å; F111-V123 HydrophobicContact CE2-CG2 4.48Å; F111-Y126 HydrophobicContact CB-CD1 4.09Å; F111-Y126 HydrophobicContact CB-CD2 3.81Å; F111-Y126 HydrophobicContact CB-CE1 4.32Å; F111-Y126 HydrophobicContact CB-CE2 4.06Å; F111-Y126 HydrophobicContact CB-CG 3.83Å; F111-Y126 AromaticContact CD1-CD1 3.88Å; F111-Y126 HydrophobicContact CD1-CD1 3.88Å; F111-Y126 AromaticContact CD1-CE1 3.63Å; F111-Y126 HydrophobicContact CD1-CE1 3.63Å; F111-Y126 HydrophobicContact CD1-CG 4.48Å; F111-Y126 AromaticContact CD2-CD1 3.23Å; F111-Y126 HydrophobicContact CD2-CD1 3.23Å; F111-Y126 HydrophobicContact CD2-CD2 4.35Å; F111-Y126 AromaticContact CD2-CE1 3.9Å; F111-Y126 HydrophobicContact CD2-CE1 3.9Å; F111-Y126 AromaticContact CD2-CG 3.5Å; F111-Y126 HydrophobicContact CD2-CG 3.5Å; F111-Y126 VanDerWaalsContact CD2-CG 3.5Å; F111-Y126 HydrophobicContact CE1-CD1 4.03Å; F111-Y126 AromaticContact CE1-CE1 3.75Å; F111-Y126 HydrophobicContact CE1-CE1 3.75Å; F111-Y126 AromaticContact CE2-CD1 3.39Å; F111-Y126 HydrophobicContact CE2-CD1 3.39Å; F111-Y126 AromaticContact CE2-CE1 4Å; F111-Y126 HydrophobicContact CE2-CE1 4Å; F111-Y126 HydrophobicContact CE2-CG 4.1Å; F111-Y126 AromaticContact CG-CD1 3.47Å; F111-Y126 HydrophobicContact CG-CD1 3.47Å; F111-Y126 VanDerWaalsContact CG-CD1 3.47Å; F111-Y126 HydrophobicContact CG-CD2 4.12Å; F111-Y126 AromaticContact CG-CE1 3.69Å; F111-Y126 HydrophobicContact CG-CE1 3.69Å; F111-Y126 HydrophobicContact CG-CE2 4.32Å; F111-Y126 AromaticContact CG-CG 3.7Å; F111-Y126 HydrophobicContact CG-CG 3.7Å; F111-Y126 AromaticContact CZ-CD1 3.79Å; F111-Y126 HydrophobicContact CZ-CD1 3.79Å; F111-Y126 AromaticContact CZ-CE1 3.92Å; F111-Y126 HydrophobicContact CZ-CE1 3.92Å; F111-L127 HydrophobicContact CE2-CD2 4.39Å; F111-L127 HydrophobicContact CE2-CG 4.46Å; F111-L127 HydrophobicContact CZ-CD2 4.35Å; F111-A135 HydrophobicContact CD1-CB 4.19Å; F111-A135 HydrophobicContact CE1-CB 4.12Å; F111-A143 HydrophobicContact CE1-CB 3.56Å; F111-A143 HydrophobicContact CZ-CB 3.63Å; F111-L159 HydrophobicContact CE2-CD2 4.16Å; F111-L159 HydrophobicContact CZ-CD2 3.63Å |
| 112 | L | 96.8 | Very high | 92.4 | Very high | 7 Ų | 7 | 61.5 Ų | 61.5 | 4% | 0.037 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.5 | -30.9 | 178.7 | -68.7 | 173.9 | 0 | 0 | 0 | 112.7 | E108 Q109 M116 D137 A143 K146 | E108-L112 WeakPolarHBondContact O-CB 3.44Å; E108-L112 VanDerWaalsContact O-CG 3.23Å; E108-L112 WeakPolarHBondContact O-CG 3.25Å; E108-L112 PolarHBondContact O-N 3.49Å; Q109-L112 PolarHBondContact O-N 3.15Å; L112-M116 WeakPolarHBondContact O-CG 3.39Å; L112-M116 PolarHBondContact O-N 2.8Å; L112-D137 HydrophobicContact CD1-CB 4.17Å; L112-A143 HydrophobicContact CD2-CB 4.01Å; L112-K146 HydrophobicContact CB-CD 4.1Å; L112-K146 HydrophobicContact CD2-CD 3.94Å |
| 113 | T | 96.4 | Very high | 93.3 | Very high | 49 Ų | 49 | 58.5 Ų | 58.5 | 30% | 0.301 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -73.3 | -45.3 | 175.6 | -56 | 0 | 0 | 0 | 0 | 111 | Q109 L110 F111 V115 M116 E117 | Q109-T113 WeakPolarHBondContact O-CB 3.45Å; Q109-T113 PolarHBondContact O-N 2.93Å; Q109-T113 PolarHBondContact O-OG1 3.19Å; L110-T113 PolarHBondContact O-N 2.86Å; F111-T113 PolarHBondContact O-N 3.31Å; T113-V115 VanDerWaalsContact C-N 3.27Å; T113-V115 PolarHBondContact O-N 3.25Å; T113-M116 WeakPolarHBondContact O-CB 3.2Å; T113-M116 PolarHBondContact O-N 3.23Å; T113-E117 WeakPolarHBondContact O-CG 3.46Å; T113-E117 PolarHBondContact O-N 2.64Å |
| 114 | A | 96.4 | Very high | 94.1 | Very high | 2 Ų | 2 | 59.5 Ų | 59.5 | 2% | 0.017 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -57.6 | -41.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L110 F111 M116 E117 N118 K119 V122 V123 | L110-A114 VanDerWaalsContact O-CB 3.25Å; L110-A114 WeakPolarHBondContact O-CB 3.28Å; L110-A114 PolarHBondContact O-N 2.85Å; F111-A114 PolarHBondContact O-N 2.82Å; A114-M116 VanDerWaalsContact C-N 3.34Å; A114-M116 PolarHBondContact O-N 2.96Å; A114-E117 CarbonylContact O-C 3.6Å; A114-E117 PolarHBondContact O-N 3.03Å; A114-N118 PolarHBondContact O-N 3.47Å; A114-K119 HydrophobicContact CB-CB 3.98Å; A114-K119 PolarHBondContact O-N 3.34Å; A114-V122 HydrophobicContact CB-CB 3.87Å; A114-V122 HydrophobicContact CB-CG1 3.7Å; A114-V123 HydrophobicContact CB-CG2 4.26Å |
| 115 | V | 97.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.8 | -44.6 | 172.7 | 169.4 | 0 | 0 | 0 | 0 | 111.2 | F111 T113 E117 N118 V123 A143 K146 A147 H152 V155 | F111-V115 HydrophobicContact CD2-CG2 4.32Å; F111-V115 HydrophobicContact CE2-CG2 4.07Å; F111-V115 HydrophobicContact CZ-CG2 4.29Å; F111-V115 VanDerWaalsContact O-CG2 3.31Å; F111-V115 WeakPolarHBondContact O-CG2 3.24Å; F111-V115 PolarHBondContact O-N 2.86Å; T113-V115 VanDerWaalsContact C-N 3.27Å; T113-V115 PolarHBondContact O-N 3.25Å; V115-E117 VanDerWaalsContact C-N 3.32Å; V115-E117 PolarHBondContact O-N 2.91Å; V115-N118 PolarHBondContact O-N 3.11Å; V115-V123 HydrophobicContact CG2-CG2 3.62Å; V115-A143 HydrophobicContact CG1-CB 4.42Å; V115-A143 WeakPolarHBondContact CG1-O 3.33Å; V115-A143 HydrophobicContact CG2-CB 3.97Å; V115-K146 HydrophobicContact CG1-CB 4.01Å; V115-A147 HydrophobicContact CG1-CB 3.76Å; V115-H152 PolarHBondContact O-CD2 3.41Å; V115-V155 HydrophobicContact CB-CG1 4.41Å; V115-V155 HydrophobicContact CG1-CG1 4.01Å; V115-V155 HydrophobicContact CG2-CG1 4.1Å |
| 116 | M | 95.9 | Very high | 95.4 | Very high | 64 Ų | 64 | 48.8 Ų | 48.8 | 32% | 0.315 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -67.2 | -33.4 | 179.4 | -73.6 | -73.9 | -74.5 | 0 | 0 | 113 | L112 T113 A114 K146 K150 H152 | L112-M116 WeakPolarHBondContact O-CG 3.39Å; L112-M116 PolarHBondContact O-N 2.8Å; T113-M116 WeakPolarHBondContact O-CB 3.2Å; T113-M116 PolarHBondContact O-N 3.23Å; A114-M116 VanDerWaalsContact C-N 3.34Å; A114-M116 PolarHBondContact O-N 2.96Å; M116-K146 HydrophobicContact CG-CB 4.03Å; M116-K146 HydrophobicContact CG-CD 3.98Å; M116-K146 HydrophobicContact CG-CG 4.23Å; M116-K146 HydrophobicContact SD-CB 3.55Å; M116-K146 VanDerWaalsContact SD-CB 3.55Å; M116-K146 HydrophobicContact SD-CD 4.27Å; M116-K146 HydrophobicContact SD-CG 3.85Å; M116-K150 HydrophobicContact CE-CG 4.41Å; M116-K150 HydrophobicContact SD-CG 3.97Å; M116-H152 PolarHBondContact O-NE2 3.1Å |
| 117 | E | 96.1 | Very high | 95.7 | Very high | 106 Ų | 106 | 49.2 Ų | 49.2 | 50% | 0.495 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -87.4 | -2.3 | -179 | -67.2 | 179.4 | 177.4 | 0 | 0 | 113.9 | T113 A114 V115 K119 | T113-E117 WeakPolarHBondContact O-CG 3.46Å; T113-E117 PolarHBondContact O-N 2.64Å; A114-E117 CarbonylContact O-C 3.6Å; A114-E117 PolarHBondContact O-N 3.03Å; V115-E117 VanDerWaalsContact C-N 3.32Å; V115-E117 PolarHBondContact O-N 2.91Å; E117-K119 HydrophobicContact CB-CD 4.28Å; E117-K119 HydrophobicContact CB-CG 4.18Å; E117-K119 WeakPolarHBondContact OE2-CE 3.47Å; E117-K119 IonicContact OE2-NZ 2.74Å; E117-K119 PolarHBondContact OE2-NZ 3.07Å |
| 118 | N | 96.7 | Very high | 95.8 | Very high | 75 Ų | 75 | 48.7 Ų | 48.7 | 40% | 0.401 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.5 | 32 | -176.3 | -160.3 | 39.5 | 0 | 0 | 0 | 114.7 | A114 V115 L120 H152 V155 | A114-N118 PolarHBondContact O-N 3.47Å; V115-N118 PolarHBondContact O-N 3.11Å; N118-L120 PolarHBondContact O-N 3.48Å; N118-L120 VanDerWaalsContact O-N 3.09Å; N118-H152 WeakPolarHBondContact OD1-CB 3.48Å; N118-V155 WeakPolarHBondContact OD1-CG2 3.35Å |
| 119 | K | 96.1 | Very high | 95.8 | Very high | 78 Ų | 78 | 48.6 Ų | 48.6 | 34% | 0.339 | 26% | 0.258 | S | S | . | . | trans | -83.6 | 77.7 | 177.5 | -69.9 | 175.9 | 171.1 | 166.8 | 0 | 110.9 | A114 E117 P121 V122 V123 | A114-K119 HydrophobicContact CB-CB 3.98Å; A114-K119 PolarHBondContact O-N 3.34Å; E117-K119 HydrophobicContact CB-CD 4.28Å; E117-K119 HydrophobicContact CB-CG 4.18Å; E117-K119 WeakPolarHBondContact OE2-CE 3.47Å; E117-K119 IonicContact OE2-NZ 2.74Å; E117-K119 PolarHBondContact OE2-NZ 3.07Å; K119-P121 VanDerWaalsContact C-CD 3.49Å; K119-V122 HydrophobicContact CB-CB 4.33Å; K119-V122 HydrophobicContact CB-CG2 4.2Å; K119-V122 PolarHBondContact O-N 3.39Å; K119-V123 WeakPolarHBondContact O-CG2 3.49Å; K119-V123 PolarHBondContact O-N 3.36Å | ||
| 120 | L | 95.4 | Very high | 95.7 | Very high | 41 Ų | 41 | 45.8 Ų | 45.8 | 22% | 0.215 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -54.3 | -43.4 | -175.9 | -174.4 | 66.8 | 0 | 0 | 0 | 113.9 | N118 V122 V123 E124 E154 V155 R158 | N118-L120 PolarHBondContact O-N 3.48Å; N118-L120 VanDerWaalsContact O-N 3.09Å; L120-V122 VanDerWaalsContact C-N 3.3Å; L120-V122 PolarHBondContact O-N 3.17Å; L120-V123 WeakPolarHBondContact O-CB 3.19Å; L120-V123 PolarHBondContact O-N 2.94Å; L120-V123 VanDerWaalsContact O-N 3.15Å; L120-E124 HydrophobicContact CD1-CG 4.17Å; L120-E124 HydrophobicContact CG-CG 4.21Å; L120-E124 PolarHBondContact O-N 2.96Å; L120-E154 HydrophobicContact CD1-CG 4.32Å; L120-E154 HydrophobicContact CD2-CG 3.69Å; L120-V155 HydrophobicContact CD1-CG2 3.97Å; L120-R158 HydrophobicContact CD1-CG 3.8Å |
| 121 | P | 95.2 | Very high | 95.8 | Very high | 47 Ų | 47 | 43.8 Ų | 43.8 | 31% | 0.305 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63 | -35.3 | -178.4 | -25.9 | 37.8 | 0 | 0 | 0 | 113.7 | E100 V102 K119 K125 | E100-P121 WeakPolarHBondContact OE2-CD 3.09Å; E100-P121 WeakPolarHBondContact OE2-CG 3.37Å; V102-P121 HydrophobicContact CG2-CB 3.95Å; K119-P121 VanDerWaalsContact C-CD 3.49Å; P121-K125 WeakPolarHBondContact O-CB 3.35Å; P121-K125 PolarHBondContact O-N 3.34Å |
| 122 | V | 95.3 | Very high | 95.8 | Very high | 10 Ų | 10 | 47.5 Ų | 47.5 | 6% | 0.061 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -70.3 | -38.4 | 177.3 | -178.4 | 0 | 0 | 0 | 0 | 110.7 | V102 V106 A114 K119 L120 Y126 | V102-V122 HydrophobicContact CG1-CG2 4.49Å; V106-V122 HydrophobicContact CG1-CG1 3.9Å; V106-V122 HydrophobicContact CG2-CG1 3.91Å; A114-V122 HydrophobicContact CB-CB 3.87Å; A114-V122 HydrophobicContact CB-CG1 3.7Å; K119-V122 HydrophobicContact CB-CB 4.33Å; K119-V122 HydrophobicContact CB-CG2 4.2Å; K119-V122 PolarHBondContact O-N 3.39Å; L120-V122 VanDerWaalsContact C-N 3.3Å; L120-V122 PolarHBondContact O-N 3.17Å; V122-Y126 PolarHBondContact O-N 3.4Å |
| 123 | V | 96 | Very high | 95.7 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.9 | -49.9 | 174.5 | 171.9 | 0 | 0 | 0 | 0 | 110.8 | F111 A114 V115 K119 L120 K125 Y126 L127 V155 L159 | F111-V123 HydrophobicContact CE2-CB 4.49Å; F111-V123 HydrophobicContact CE2-CG1 4Å; F111-V123 HydrophobicContact CE2-CG2 4.48Å; A114-V123 HydrophobicContact CB-CG2 4.26Å; V115-V123 HydrophobicContact CG2-CG2 3.62Å; K119-V123 WeakPolarHBondContact O-CG2 3.49Å; K119-V123 PolarHBondContact O-N 3.36Å; L120-V123 WeakPolarHBondContact O-CB 3.19Å; L120-V123 PolarHBondContact O-N 2.94Å; L120-V123 VanDerWaalsContact O-N 3.15Å; V123-K125 VanDerWaalsContact C-N 3.33Å; V123-K125 PolarHBondContact O-N 2.85Å; V123-Y126 PolarHBondContact O-N 2.91Å; V123-L127 HydrophobicContact CG1-CD1 4Å; V123-L127 VanDerWaalsContact O-CG 3.3Å; V123-L127 WeakPolarHBondContact O-CG 3.33Å; V123-L127 PolarHBondContact O-N 3.37Å; V123-L127 VanDerWaalsContact O-N 3.1Å; V123-V155 HydrophobicContact CG1-CG1 4.24Å; V123-V155 HydrophobicContact CG2-CG1 4.33Å; V123-L159 HydrophobicContact CG1-CD2 4.45Å |
| 124 | E | 95.8 | Very high | 95.8 | Very high | 70 Ų | 70 | 48 Ų | 48 | 33% | 0.327 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.9 | -41.2 | 179.4 | -72.9 | -178.1 | 162.3 | 0 | 0 | 111.5 | L120 L127 A128 R158 | L120-E124 HydrophobicContact CD1-CG 4.17Å; L120-E124 HydrophobicContact CG-CG 4.21Å; L120-E124 PolarHBondContact O-N 2.96Å; E124-L127 PolarHBondContact O-N 3.12Å; E124-A128 VanDerWaalsContact O-CB 3.28Å; E124-A128 WeakPolarHBondContact O-CB 3.17Å; E124-A128 PolarHBondContact O-N 3.39Å; E124-R158 HydrophobicContact CG-CG 4.19Å; E124-R158 IonicContact OE1-CZ 2.82Å; E124-R158 IonicContact OE1-NE 3.36Å; E124-R158 PolarHBondContact OE1-NE 2.83Å; E124-R158 IonicContact OE1-NH2 3.93Å; E124-R158 PolarHBondContact OE1-NH2 2.79Å |
| 125 | K | 94.9 | Very high | 95.7 | Very high | 53 Ų | 53 | 48 Ų | 48 | 23% | 0.23 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.9 | -50.7 | 174.2 | 179.8 | 176.4 | 168.7 | 45.5 | 0 | 112.1 | V102 P103 E104 V106 P121 V123 L127 A128 D129 | V102-K125 HydrophobicContact CG1-CB 4.05Å; V102-K125 HydrophobicContact CG1-CD 3.32Å; V102-K125 HydrophobicContact CG1-CG 4.3Å; P103-K125 WeakPolarHBondContact O-CD 3.38Å; P103-K125 WeakPolarHBondContact O-CE 3.34Å; E104-K125 WeakPolarHBondContact O-CE 3.24Å; E104-K125 PolarHBondContact O-NZ 3.49Å; V106-K125 HydrophobicContact CG2-CD 4.26Å; P121-K125 WeakPolarHBondContact O-CB 3.35Å; P121-K125 PolarHBondContact O-N 3.34Å; V123-K125 VanDerWaalsContact C-N 3.33Å; V123-K125 PolarHBondContact O-N 2.85Å; K125-L127 PolarHBondContact O-N 3.19Å; K125-A128 PolarHBondContact O-N 2.89Å; K125-A128 VanDerWaalsContact O-N 3.15Å; K125-D129 WeakPolarHBondContact CE-OD2 3.37Å; K125-D129 WeakPolarHBondContact CG-OD2 3.42Å; K125-D129 IonicContact NZ-OD1 2.94Å; K125-D129 IonicContact NZ-OD2 3.81Å; K125-D129 PolarHBondContact NZ-OD2 3.05Å; K125-D129 WeakPolarHBondContact O-CB 3.47Å; K125-D129 VanDerWaalsContact O-CG 3.3Å; K125-D129 PolarHBondContact O-N 3.19Å |
| 126 | Y | 95.9 | Very high | 95.6 | Very high | 15 Ų | 15 | 50 Ų | 50 | 6% | 0.059 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -56.1 | -41.9 | 179.6 | 176.2 | -94.2 | 0 | 0 | 0 | 111.9 | V106 F111 V122 V123 G131 N132 | V106-Y126 HydrophobicContact CB-CD2 4.01Å; V106-Y126 HydrophobicContact CG1-CD2 3.88Å; V106-Y126 HydrophobicContact CG1-CG 4.3Å; V106-Y126 WeakPolarHBondContact O-CD2 3.47Å; F111-Y126 HydrophobicContact CB-CD1 4.09Å; F111-Y126 HydrophobicContact CB-CD2 3.81Å; F111-Y126 HydrophobicContact CB-CE1 4.32Å; F111-Y126 HydrophobicContact CB-CE2 4.06Å; F111-Y126 HydrophobicContact CB-CG 3.83Å; F111-Y126 AromaticContact CD1-CD1 3.88Å; F111-Y126 HydrophobicContact CD1-CD1 3.88Å; F111-Y126 AromaticContact CD1-CE1 3.63Å; F111-Y126 HydrophobicContact CD1-CE1 3.63Å; F111-Y126 HydrophobicContact CD1-CG 4.48Å; F111-Y126 AromaticContact CD2-CD1 3.23Å; F111-Y126 HydrophobicContact CD2-CD1 3.23Å; F111-Y126 HydrophobicContact CD2-CD2 4.35Å; F111-Y126 AromaticContact CD2-CE1 3.9Å; F111-Y126 HydrophobicContact CD2-CE1 3.9Å; F111-Y126 AromaticContact CD2-CG 3.5Å; F111-Y126 HydrophobicContact CD2-CG 3.5Å; F111-Y126 VanDerWaalsContact CD2-CG 3.5Å; F111-Y126 HydrophobicContact CE1-CD1 4.03Å; F111-Y126 AromaticContact CE1-CE1 3.75Å; F111-Y126 HydrophobicContact CE1-CE1 3.75Å; F111-Y126 AromaticContact CE2-CD1 3.39Å; F111-Y126 HydrophobicContact CE2-CD1 3.39Å; F111-Y126 AromaticContact CE2-CE1 4Å; F111-Y126 HydrophobicContact CE2-CE1 4Å; F111-Y126 HydrophobicContact CE2-CG 4.1Å; F111-Y126 AromaticContact CG-CD1 3.47Å; F111-Y126 HydrophobicContact CG-CD1 3.47Å; F111-Y126 VanDerWaalsContact CG-CD1 3.47Å; F111-Y126 HydrophobicContact CG-CD2 4.12Å; F111-Y126 AromaticContact CG-CE1 3.69Å; F111-Y126 HydrophobicContact CG-CE1 3.69Å; F111-Y126 HydrophobicContact CG-CE2 4.32Å; F111-Y126 AromaticContact CG-CG 3.7Å; F111-Y126 HydrophobicContact CG-CG 3.7Å; F111-Y126 AromaticContact CZ-CD1 3.79Å; F111-Y126 HydrophobicContact CZ-CD1 3.79Å; F111-Y126 AromaticContact CZ-CE1 3.92Å; F111-Y126 HydrophobicContact CZ-CE1 3.92Å; V122-Y126 PolarHBondContact O-N 3.4Å; V123-Y126 PolarHBondContact O-N 2.91Å; Y126-G131 VanDerWaalsContact O-CA 3.3Å; Y126-G131 WeakPolarHBondContact O-CA 3.37Å; Y126-G131 PolarHBondContact O-N 3.18Å; Y126-N132 PolarHBondContact OH-N 3.46Å |
| 127 | L | 95.9 | Very high | 95.6 | Very high | 29 Ų | 29 | 48.1 Ų | 48.1 | 15% | 0.152 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -70.8 | -39.6 | 178.4 | -63.3 | 172 | 0 | 0 | 0 | 112.1 | F111 V123 E124 K125 D129 G130 P133 L159 A162 | F111-L127 HydrophobicContact CE2-CD2 4.39Å; F111-L127 HydrophobicContact CE2-CG 4.46Å; F111-L127 HydrophobicContact CZ-CD2 4.35Å; V123-L127 HydrophobicContact CG1-CD1 4Å; V123-L127 VanDerWaalsContact O-CG 3.3Å; V123-L127 WeakPolarHBondContact O-CG 3.33Å; V123-L127 PolarHBondContact O-N 3.37Å; V123-L127 VanDerWaalsContact O-N 3.1Å; E124-L127 PolarHBondContact O-N 3.12Å; K125-L127 PolarHBondContact O-N 3.19Å; L127-D129 VanDerWaalsContact C-N 3.32Å; L127-D129 PolarHBondContact O-N 2.95Å; L127-G130 PolarHBondContact O-N 3Å; L127-G130 VanDerWaalsContact O-N 3.16Å; L127-P133 HydrophobicContact CD2-CB 3.86Å; L127-L159 HydrophobicContact CD1-CD2 4.27Å; L127-L159 HydrophobicContact CD2-CD2 4.49Å; L127-A162 HydrophobicContact CD1-CB 3.93Å; L127-A162 HydrophobicContact CD2-CB 3.98Å; L127-A162 HydrophobicContact CG-CB 4.36Å |
| 128 | A | 95.1 | Very high | 95.6 | Very high | 85 Ų | 85 | 50.4 Ų | 50.4 | 70% | 0.702 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -66.1 | -34.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | E124 K125 G130 | E124-A128 VanDerWaalsContact O-CB 3.28Å; E124-A128 WeakPolarHBondContact O-CB 3.17Å; E124-A128 PolarHBondContact O-N 3.39Å; K125-A128 PolarHBondContact O-N 2.89Å; K125-A128 VanDerWaalsContact O-N 3.15Å; A128-G130 PolarHBondContact O-N 3.46Å; A128-G130 VanDerWaalsContact O-N 3.16Å |
| 129 | D | 94.6 | Very high | 95.6 | Very high | 100 Ų | 100 | 52.1 Ų | 52.1 | 54% | 0.535 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | 6.1 | 175.4 | -66.9 | -16.6 | 0 | 0 | 0 | 112.5 | K125 L127 | K125-D129 WeakPolarHBondContact CE-OD2 3.37Å; K125-D129 WeakPolarHBondContact CG-OD2 3.42Å; K125-D129 IonicContact NZ-OD1 2.94Å; K125-D129 IonicContact NZ-OD2 3.81Å; K125-D129 PolarHBondContact NZ-OD2 3.05Å; K125-D129 WeakPolarHBondContact O-CB 3.47Å; K125-D129 VanDerWaalsContact O-CG 3.3Å; K125-D129 PolarHBondContact O-N 3.19Å; L127-D129 VanDerWaalsContact C-N 3.32Å; L127-D129 PolarHBondContact O-N 2.95Å |
| 130 | G | 93.3 | Very high | 95.6 | Very high | 69 Ų | 69 | 53.5 Ų | 53.5 | 71% | 0.711 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.7 | 16.2 | 178 | 0 | 0 | 0 | 0 | 0 | 114.3 | L127 A128 | L127-G130 PolarHBondContact O-N 3Å; L127-G130 VanDerWaalsContact O-N 3.16Å; A128-G130 PolarHBondContact O-N 3.46Å; A128-G130 VanDerWaalsContact O-N 3.16Å |
| 131 | G | 94.9 | Very high | 95.8 | Very high | 19 Ų | 19 | 55 Ų | 55 | 20% | 0.196 | 32% | 0.317 | C | S | . | . | trans | -61.2 | 151.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y126 P133 | Y126-G131 VanDerWaalsContact O-CA 3.3Å; Y126-G131 WeakPolarHBondContact O-CA 3.37Å; Y126-G131 PolarHBondContact O-N 3.18Å; G131-P133 VanDerWaalsContact O-CD 3.29Å; G131-P133 WeakPolarHBondContact O-CD 3.34Å | ||
| 132 | N | 96.6 | Very high | 95.9 | Very high | 79 Ų | 79 | 52.8 Ų | 52.8 | 42% | 0.422 | 30% | 0.303 | S | S | . | . | trans | -76.3 | 114.8 | -178.1 | 179.7 | 6.8 | 0 | 0 | 0 | 110.7 | Y126 N134 A135 | Y126-N132 PolarHBondContact OH-N 3.46Å; N132-N134 PolarHBondContact O-N 2.92Å; N132-N134 VanDerWaalsContact O-N 3.12Å; N132-N134 WeakPolarHBondContact OD1-CA 3.46Å; N132-N134 WeakPolarHBondContact OD1-CB 3.44Å; N132-N134 PolarHBondContact OD1-N 3.42Å; N132-A135 VanDerWaalsContact O-CB 3.3Å; N132-A135 WeakPolarHBondContact O-CB 3.18Å; N132-A135 PolarHBondContact O-N 3.01Å | ||
| 133 | P | 96.3 | Very high | 96 | Very high | 19 Ų | 19 | 52.3 Ų | 52.3 | 12% | 0.123 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -20.3 | 177.6 | 28.8 | -37.8 | 0 | 0 | 0 | 113 | L127 G131 A162 A164 | L127-P133 HydrophobicContact CD2-CB 3.86Å; G131-P133 VanDerWaalsContact O-CD 3.29Å; G131-P133 WeakPolarHBondContact O-CD 3.34Å; P133-A162 HydrophobicContact CB-CB 4.24Å; P133-A162 WeakPolarHBondContact CG-O 3.49Å; P133-A164 HydrophobicContact CB-CB 4.23Å |
| 134 | N | 97.1 | Very high | 96.1 | Very high | 48 Ų | 48 | 52.3 Ų | 52.3 | 26% | 0.257 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 12.7 | 177.3 | -62.3 | -56.7 | 0 | 0 | 0 | 113.2 | N132 A136 A164 A165 | N132-N134 PolarHBondContact O-N 2.92Å; N132-N134 VanDerWaalsContact O-N 3.12Å; N132-N134 WeakPolarHBondContact OD1-CA 3.46Å; N132-N134 WeakPolarHBondContact OD1-CB 3.44Å; N132-N134 PolarHBondContact OD1-N 3.42Å; N134-A136 PolarHBondContact O-N 3.09Å; N134-A164 WeakPolarHBondContact OD1-CA 3.47Å; N134-A165 WeakPolarHBondContact OD1-CB 3.39Å; N134-A165 PolarHBondContact OD1-N 3.48Å |
| 135 | A | 95.3 | Very high | 96.3 | Very high | 2 Ų | 2 | 49.1 Ų | 49.1 | 2% | 0.017 | 29% | 0.285 | C | S | . | . | trans | -51.1 | 134.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | E108 F111 N132 T142 A143 | E108-A135 HydrophobicContact CG-CB 4.3Å; F111-A135 HydrophobicContact CD1-CB 4.19Å; F111-A135 HydrophobicContact CE1-CB 4.12Å; N132-A135 VanDerWaalsContact O-CB 3.3Å; N132-A135 WeakPolarHBondContact O-CB 3.18Å; N132-A135 PolarHBondContact O-N 3.01Å; A135-T142 VanDerWaalsContact O-CA 3.29Å; A135-T142 WeakPolarHBondContact O-CA 3.23Å; A135-A143 PolarHBondContact O-N 3.28Å | ||
| 136 | A | 96.3 | Very high | 96.4 | Very high | 41 Ų | 41 | 48 Ų | 48 | 34% | 0.339 | 28% | 0.28 | S | S | . | . | B | Isolated β-bridge | trans | -135.7 | 148.2 | -169.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | N134 R141 T142 | N134-A136 PolarHBondContact O-N 3.09Å; A136-R141 WeakPolarHBondContact CA-O 3.47Å; A136-T142 HydrophobicContact CB-CG2 4.21Å |
| 137 | D | 95.4 | Very high | 96.6 | Very high | 25 Ų | 25 | 47.3 Ų | 47.3 | 13% | 0.134 | 28% | 0.277 | C | S | . | . | trans | -78.1 | -177.6 | 175 | 70.3 | 16.2 | 0 | 0 | 0 | 112.8 | L112 F139 Q140 R141 K146 | L112-D137 HydrophobicContact CD1-CB 4.17Å; D137-F139 PolarHBondContact O-N 2.66Å; D137-F139 WeakPolarHBondContact OD1-CA 3.43Å; D137-F139 WeakPolarHBondContact OD1-CB 3.4Å; D137-F139 PolarHBondContact OD1-N 2.88Å; D137-Q140 WeakPolarHBondContact O-CA 3.49Å; D137-Q140 PolarHBondContact O-N 3.35Å; D137-Q140 PolarHBondContact OD1-N 3.05Å; D137-R141 PolarHBondContact N-O 3.4Å; D137-R141 VanDerWaalsContact N-O 3.11Å; D137-R141 WeakPolarHBondContact OD1-CB 3.43Å; D137-R141 PolarHBondContact OD1-N 2.9Å; D137-R141 IonicContact OD1-NE 4Å; D137-R141 PolarHBondContact OD1-NE 3.5Å; D137-R141 IonicContact OD1-NH2 3.14Å; D137-R141 IonicContact OD2-CZ 2.78Å; D137-R141 IonicContact OD2-NE 2.7Å; D137-R141 PolarHBondContact OD2-NE 2.93Å; D137-R141 IonicContact OD2-NH2 3.24Å; D137-R141 PolarHBondContact OD2-NH2 3.06Å; D137-K146 IonicContact OD2-NZ 3.54Å; D137-K146 PolarHBondContact OD2-NZ 2.97Å | ||
| 138 | N | 95.9 | Very high | 96.7 | Very high | 154 Ų | 154 | 45.9 Ų | 45.9 | 82% | 0.824 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -11.5 | 178.8 | -62.9 | -24.3 | 0 | 0 | 0 | 114.9 | ||
| 139 | F | 96.3 | Very high | 96.8 | Very high | 111 Ų | 111 | 45.2 Ų | 45.2 | 49% | 0.487 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | 14.3 | 175.3 | -59.3 | -85.4 | 0 | 0 | 0 | 112.4 | D137 R141 K171 | D137-F139 PolarHBondContact O-N 2.66Å; D137-F139 WeakPolarHBondContact OD1-CA 3.43Å; D137-F139 WeakPolarHBondContact OD1-CB 3.4Å; D137-F139 PolarHBondContact OD1-N 2.88Å; F139-R141 HydrophobicContact CB-CG 4.1Å; F139-R141 VanDerWaalsContact CD2-NH2 3.34Å; F139-R141 PolarHBondContact O-N 3.45Å; F139-K171 VanDerWaalsContact O-CB 3.24Å; F139-K171 WeakPolarHBondContact O-CB 3.34Å; F139-K171 PolarHBondContact O-N 3.05Å |
| 140 | Q | 97.4 | Very high | 97 | Very high | 107 Ų | 107 | 45.3 Ų | 45.3 | 50% | 0.5 | 25% | 0.247 | S | C | . | . | trans | 59 | 23.8 | -173.9 | -56.6 | -179.3 | 20.3 | 0 | 0 | 113.2 | D137 T142 | D137-Q140 WeakPolarHBondContact O-CA 3.49Å; D137-Q140 PolarHBondContact O-N 3.35Å; D137-Q140 PolarHBondContact OD1-N 3.05Å; Q140-T142 PolarHBondContact O-N 3.14Å | ||
| 141 | R | 97.8 | Very high | 97.2 | Very high | 71 Ų | 71 | 42.8 Ų | 42.8 | 27% | 0.268 | 22% | 0.221 | S | C | . | . | trans | -85 | 108.3 | 175.8 | -59.8 | 173.7 | -62.1 | -170.9 | -0.8 | 108.9 | A136 D137 F139 H145 D170 W179 | A136-R141 WeakPolarHBondContact CA-O 3.47Å; D137-R141 PolarHBondContact N-O 3.4Å; D137-R141 VanDerWaalsContact N-O 3.11Å; D137-R141 WeakPolarHBondContact OD1-CB 3.43Å; D137-R141 PolarHBondContact OD1-N 2.9Å; D137-R141 IonicContact OD1-NE 4Å; D137-R141 PolarHBondContact OD1-NE 3.5Å; D137-R141 IonicContact OD1-NH2 3.14Å; D137-R141 IonicContact OD2-CZ 2.78Å; D137-R141 IonicContact OD2-NE 2.7Å; D137-R141 PolarHBondContact OD2-NE 2.93Å; D137-R141 IonicContact OD2-NH2 3.24Å; D137-R141 PolarHBondContact OD2-NH2 3.06Å; F139-R141 HydrophobicContact CB-CG 4.1Å; F139-R141 VanDerWaalsContact CD2-NH2 3.34Å; F139-R141 PolarHBondContact O-N 3.45Å; R141-H145 HydrophobicContact CB-CB 4.31Å; R141-D170 HydrophobicContact CG-CB 3.9Å; R141-W179 VanDerWaalsContact CD-CZ2 3.41Å; R141-W179 HydrophobicContact CG-CZ2 3.95Å | ||
| 142 | T | 98.1 | Very high | 97.4 | Very high | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.012 | 22% | 0.22 | C | C | . | . | B | Isolated β-bridge | trans | -65.6 | 166.9 | 174.8 | 67 | 0 | 0 | 0 | 0 | 113.1 | A135 A136 Q140 L144 H145 K146 Q168 | A135-T142 VanDerWaalsContact O-CA 3.29Å; A135-T142 WeakPolarHBondContact O-CA 3.23Å; A136-T142 HydrophobicContact CB-CG2 4.21Å; Q140-T142 PolarHBondContact O-N 3.14Å; T142-L144 PolarHBondContact O-N 3.45Å; T142-L144 PolarHBondContact OG1-N 3.41Å; T142-H145 PolarHBondContact N-ND1 2.99Å; T142-H145 VanDerWaalsContact N-ND1 3.12Å; T142-H145 WeakPolarHBondContact O-CB 3.33Å; T142-H145 PolarHBondContact O-N 3.43Å; T142-H145 VanDerWaalsContact O-N 3.16Å; T142-H145 PolarHBondContact OG1-N 2.99Å; T142-H145 PolarHBondContact OG1-ND1 3.38Å; T142-K146 PolarHBondContact O-N 3.41Å; T142-Q168 HydrophobicContact CG2-CB 4.32Å; T142-Q168 HydrophobicContact CG2-CG 3.69Å |
| 143 | A | 97.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -51.1 | -42.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | F111 L112 V115 A135 H145 K146 A147 L159 | F111-A143 HydrophobicContact CE1-CB 3.56Å; F111-A143 HydrophobicContact CZ-CB 3.63Å; L112-A143 HydrophobicContact CD2-CB 4.01Å; V115-A143 HydrophobicContact CG1-CB 4.42Å; V115-A143 WeakPolarHBondContact CG1-O 3.33Å; V115-A143 HydrophobicContact CG2-CB 3.97Å; A135-A143 PolarHBondContact O-N 3.28Å; A143-H145 VanDerWaalsContact C-N 3.34Å; A143-H145 PolarHBondContact O-N 3.19Å; A143-K146 PolarHBondContact O-N 3.31Å; A143-A147 WeakPolarHBondContact O-CB 3.08Å; A143-A147 PolarHBondContact O-N 3.34Å; A143-L159 HydrophobicContact CB-CD1 3.78Å; A143-L159 HydrophobicContact CB-CD2 3.76Å; A143-L159 HydrophobicContact CB-CG 4.46Å |
| 144 | L | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.3 | -39.6 | 179.4 | -173.4 | 63.4 | 0 | 0 | 0 | 112.2 | T142 S148 M156 L160 A164 A176 L192 | T142-L144 PolarHBondContact O-N 3.45Å; T142-L144 PolarHBondContact OG1-N 3.41Å; L144-S148 WeakPolarHBondContact O-CB 3.47Å; L144-S148 PolarHBondContact O-N 3.03Å; L144-S148 PolarHBondContact O-OG 2.84Å; L144-M156 HydrophobicContact CD1-CB 4.26Å; L144-M156 HydrophobicContact CD1-CG 4.27Å; L144-L160 HydrophobicContact CD1-CD2 4.06Å; L144-L160 HydrophobicContact CD1-CG 4.12Å; L144-L160 HydrophobicContact CD2-CD2 3.74Å; L144-A164 HydrophobicContact CB-CB 4.46Å; L144-A164 HydrophobicContact CD2-CB 4.47Å; L144-A176 HydrophobicContact CD2-CB 3.91Å; L144-A176 HydrophobicContact CG-CB 3.89Å; L144-L192 HydrophobicContact CD1-CD2 4.26Å; L144-L192 HydrophobicContact CD2-CD2 4.27Å; L144-L192 HydrophobicContact CG-CD2 4.45Å |
| 145 | H | 98.6 | Very high | 97.6 | Very high | 3 Ų | 3 | 41.4 Ų | 41.4 | 1% | 0.014 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.2 | -46.8 | 174.2 | -67.6 | 108.3 | 0 | 0 | 0 | 112.1 | R141 T142 A143 S148 F149 Q168 A174 A176 W179 | R141-H145 HydrophobicContact CB-CB 4.31Å; T142-H145 PolarHBondContact N-ND1 2.99Å; T142-H145 VanDerWaalsContact N-ND1 3.12Å; T142-H145 WeakPolarHBondContact O-CB 3.33Å; T142-H145 PolarHBondContact O-N 3.43Å; T142-H145 VanDerWaalsContact O-N 3.16Å; T142-H145 PolarHBondContact OG1-N 2.99Å; T142-H145 PolarHBondContact OG1-ND1 3.38Å; A143-H145 VanDerWaalsContact C-N 3.34Å; A143-H145 PolarHBondContact O-N 3.19Å; H145-S148 PolarHBondContact O-N 3.09Å; H145-F149 WeakPolarHBondContact O-CB 3.47Å; H145-F149 PolarHBondContact O-N 3.09Å; H145-Q168 PolarHBondContact CE1-O 2.98Å; H145-Q168 PolarHBondContact NE2-O 3.4Å; H145-A174 PolarHBondContact NE2-O 3.49Å; H145-A176 PolarHBondContact CD2-N 3.47Å; H145-A176 PolarHBondContact NE2-N 3.45Å; H145-W179 HydrophobicContact CB-CG 4.14Å; H145-W179 AromaticContact CD2-CD1 3.23Å; H145-W179 AromaticContact CD2-NE1 3.64Å; H145-W179 AromaticContact CG-CD1 3.93Å |
| 146 | K | 98.4 | Very high | 97.8 | Very high | 29 Ų | 29 | 41.3 Ų | 41.3 | 13% | 0.126 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.3 | -47.9 | -179.7 | -71.4 | 177.1 | -167.1 | -72.5 | 0 | 111.6 | L112 V115 M116 D137 T142 A143 S148 F149 K150 | L112-K146 HydrophobicContact CB-CD 4.1Å; L112-K146 HydrophobicContact CD2-CD 3.94Å; V115-K146 HydrophobicContact CG1-CB 4.01Å; M116-K146 HydrophobicContact CG-CB 4.03Å; M116-K146 HydrophobicContact CG-CD 3.98Å; M116-K146 HydrophobicContact CG-CG 4.23Å; M116-K146 HydrophobicContact SD-CB 3.55Å; M116-K146 VanDerWaalsContact SD-CB 3.55Å; M116-K146 HydrophobicContact SD-CD 4.27Å; M116-K146 HydrophobicContact SD-CG 3.85Å; D137-K146 IonicContact OD2-NZ 3.54Å; D137-K146 PolarHBondContact OD2-NZ 2.97Å; T142-K146 PolarHBondContact O-N 3.41Å; A143-K146 PolarHBondContact O-N 3.31Å; K146-S148 VanDerWaalsContact C-N 3.35Å; K146-S148 PolarHBondContact O-N 3.24Å; K146-F149 PolarHBondContact O-N 3.02Å; K146-K150 PolarHBondContact O-N 2.94Å; K146-K150 VanDerWaalsContact O-N 3.12Å |
| 147 | A | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.2 | -42.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | V115 A143 K150 G151 H152 V155 M156 L159 | V115-A147 HydrophobicContact CG1-CB 3.76Å; A143-A147 WeakPolarHBondContact O-CB 3.08Å; A143-A147 PolarHBondContact O-N 3.34Å; A147-K150 CarbonylContact O-C 3.58Å; A147-K150 PolarHBondContact O-N 2.83Å; A147-G151 PolarHBondContact O-N 3.22Å; A147-H152 PolarHBondContact O-N 3.2Å; A147-V155 HydrophobicContact CB-CG1 4.04Å; A147-M156 HydrophobicContact CB-CG 3.53Å; A147-L159 HydrophobicContact CB-CD1 4.14Å |
| 148 | S | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.3 | -44.2 | 177.5 | -60 | 0 | 0 | 0 | 0 | 112 | L144 H145 K146 K150 G151 M156 A176 A180 | L144-S148 WeakPolarHBondContact O-CB 3.47Å; L144-S148 PolarHBondContact O-N 3.03Å; L144-S148 PolarHBondContact O-OG 2.84Å; H145-S148 PolarHBondContact O-N 3.09Å; K146-S148 VanDerWaalsContact C-N 3.35Å; K146-S148 PolarHBondContact O-N 3.24Å; S148-K150 VanDerWaalsContact C-N 3.3Å; S148-K150 PolarHBondContact O-N 3.27Å; S148-G151 PolarHBondContact O-N 2.92Å; S148-M156 WeakPolarHBondContact OG-CE 3.36Å; S148-A176 WeakPolarHBondContact CB-O 3.17Å; S148-A180 WeakPolarHBondContact O-CA 3.39Å |
| 149 | F | 98.5 | Very high | 98.1 | Very high | 71 Ų | 71 | 39.4 Ų | 39.4 | 31% | 0.311 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -60.9 | -38.8 | 175.9 | 177.5 | -110.2 | 0 | 0 | 0 | 112.9 | H145 K146 W179 R182 G183 | H145-F149 WeakPolarHBondContact O-CB 3.47Å; H145-F149 PolarHBondContact O-N 3.09Å; K146-F149 PolarHBondContact O-N 3.02Å; F149-W179 WeakPolarHBondContact CA-O 3.34Å; F149-W179 HydrophobicContact CB-CB 4.39Å; F149-W179 HydrophobicContact CB-CE3 3.8Å; F149-W179 AromaticContact CD2-CE3 3.81Å; F149-W179 HydrophobicContact CD2-CE3 3.81Å; F149-W179 HydrophobicContact CD2-CZ3 4.19Å; F149-W179 AromaticContact CG-CE3 3.91Å; F149-W179 HydrophobicContact CG-CE3 3.91Å; F149-W179 HydrophobicContact CG-CZ3 4.29Å; F149-R182 HydrophobicContact CD2-CB 4.32Å; F149-R182 HydrophobicContact CD2-CG 4.19Å; F149-R182 HydrophobicContact CE2-CG 3.99Å; F149-G183 WeakPolarHBondContact O-CA 3.3Å |
| 150 | K | 98.2 | Very high | 98.2 | Very high | 101 Ų | 101 | 35.2 Ų | 35.2 | 44% | 0.439 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -82.8 | -18.2 | 178.6 | -67.9 | -62.9 | -171.6 | 174.2 | 0 | 113.8 | M116 K146 A147 S148 H152 | M116-K150 HydrophobicContact CE-CG 4.41Å; M116-K150 HydrophobicContact SD-CG 3.97Å; K146-K150 PolarHBondContact O-N 2.94Å; K146-K150 VanDerWaalsContact O-N 3.12Å; A147-K150 CarbonylContact O-C 3.58Å; A147-K150 PolarHBondContact O-N 2.83Å; S148-K150 VanDerWaalsContact C-N 3.3Å; S148-K150 PolarHBondContact O-N 3.27Å; K150-H152 VanDerWaalsContact CB-CD2 3.43Å; K150-H152 WeakPolarHBondContact CB-CD2 3.32Å; K150-H152 VanDerWaalsContact CB-NE2 3.34Å; K150-H152 WeakPolarHBondContact CB-NE2 3.26Å |
| 151 | G | 97.7 | Very high | 98.2 | Very high | 16 Ų | 16 | 36.2 Ų | 36.2 | 17% | 0.165 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78 | 24 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114 | A147 S148 V153 S185 | A147-G151 PolarHBondContact O-N 3.22Å; S148-G151 PolarHBondContact O-N 2.92Å; G151-V153 VanDerWaalsContact C-N 3.29Å; G151-V153 WeakPolarHBondContact O-CG2 3.49Å; G151-V153 PolarHBondContact O-N 3Å; G151-S185 VanDerWaalsContact CA-CB 3.48Å; G151-S185 WeakPolarHBondContact CA-OG 3.24Å |
| 152 | H | 98.4 | Very high | 98.2 | Very high | 38 Ų | 38 | 35 Ų | 35 | 18% | 0.176 | 17% | 0.168 | C | C | . | . | trans | -79.8 | 76 | -177.9 | -63.5 | -29.1 | 0 | 0 | 0 | 110.9 | V115 M116 N118 A147 K150 E154 V155 M156 | V115-H152 PolarHBondContact O-CD2 3.41Å; M116-H152 PolarHBondContact O-NE2 3.1Å; N118-H152 WeakPolarHBondContact OD1-CB 3.48Å; A147-H152 PolarHBondContact O-N 3.2Å; K150-H152 VanDerWaalsContact CB-CD2 3.43Å; K150-H152 WeakPolarHBondContact CB-CD2 3.32Å; K150-H152 VanDerWaalsContact CB-NE2 3.34Å; K150-H152 WeakPolarHBondContact CB-NE2 3.26Å; H152-E154 VanDerWaalsContact C-N 3.29Å; H152-E154 PolarHBondContact O-N 3.35Å; H152-V155 HydrophobicContact CB-CB 4.12Å; H152-V155 HydrophobicContact CB-CG2 4.32Å; H152-V155 PolarHBondContact O-N 2.87Å; H152-M156 WeakPolarHBondContact O-CG 3.15Å; H152-M156 PolarHBondContact O-N 3.39Å | ||
| 153 | V | 98.3 | Very high | 98.1 | Very high | 29 Ų | 29 | 37.2 Ų | 37.2 | 18% | 0.176 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58 | -36.6 | -168.6 | -170.6 | 0 | 0 | 0 | 0 | 113.3 | G151 M156 R157 P187 L191 | G151-V153 VanDerWaalsContact C-N 3.29Å; G151-V153 WeakPolarHBondContact O-CG2 3.49Å; G151-V153 PolarHBondContact O-N 3Å; V153-M156 WeakPolarHBondContact O-CB 3.43Å; V153-M156 PolarHBondContact O-N 3.19Å; V153-R157 VanDerWaalsContact CG1-NH1 3.32Å; V153-R157 PolarHBondContact O-N 2.96Å; V153-P187 HydrophobicContact CG2-CB 3.78Å; V153-L191 HydrophobicContact CG1-CB 4.44Å; V153-L191 HydrophobicContact CG1-CD2 3.75Å |
| 154 | E | 98.1 | Very high | 98.1 | Very high | 70 Ų | 70 | 37.6 Ų | 37.6 | 33% | 0.327 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -69.6 | -44.2 | 179.9 | -164.3 | 58.4 | -146.4 | 0 | 0 | 111.9 | L120 H152 M156 R157 R158 | L120-E154 HydrophobicContact CD1-CG 4.32Å; L120-E154 HydrophobicContact CD2-CG 3.69Å; H152-E154 VanDerWaalsContact C-N 3.29Å; H152-E154 PolarHBondContact O-N 3.35Å; E154-M156 VanDerWaalsContact C-N 3.28Å; E154-M156 PolarHBondContact O-N 3.25Å; E154-R157 WeakPolarHBondContact O-CB 3.11Å; E154-R157 PolarHBondContact O-N 2.65Å; E154-R157 IonicContact OE1-NE 2.79Å; E154-R157 IonicContact OE2-CZ 3.83Å; E154-R157 IonicContact OE2-NE 3.45Å; E154-R157 PolarHBondContact OE2-NE 3.25Å; E154-R157 IonicContact OE2-NH2 2.85Å; E154-R157 PolarHBondContact OE2-NH2 2.84Å; E154-R158 PolarHBondContact O-N 3.41Å |
| 155 | V | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.3 | -42.4 | 172.3 | 172.2 | 0 | 0 | 0 | 0 | 110.4 | V115 N118 L120 V123 A147 H152 R157 R158 L159 | V115-V155 HydrophobicContact CB-CG1 4.41Å; V115-V155 HydrophobicContact CG1-CG1 4.01Å; V115-V155 HydrophobicContact CG2-CG1 4.1Å; N118-V155 WeakPolarHBondContact OD1-CG2 3.35Å; L120-V155 HydrophobicContact CD1-CG2 3.97Å; V123-V155 HydrophobicContact CG1-CG1 4.24Å; V123-V155 HydrophobicContact CG2-CG1 4.33Å; A147-V155 HydrophobicContact CB-CG1 4.04Å; H152-V155 HydrophobicContact CB-CB 4.12Å; H152-V155 HydrophobicContact CB-CG2 4.32Å; H152-V155 PolarHBondContact O-N 2.87Å; V155-R157 PolarHBondContact O-N 2.94Å; V155-R158 PolarHBondContact O-N 3.25Å; V155-L159 HydrophobicContact CG1-CD1 3.83Å; V155-L159 HydrophobicContact CG1-CG 4.32Å; V155-L159 VanDerWaalsContact O-CG 3.23Å; V155-L159 WeakPolarHBondContact O-CG 3.46Å; V155-L159 PolarHBondContact O-N 3.26Å |
| 156 | M | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.8 | -45.1 | 175.3 | -65.7 | 170.2 | 65.5 | 0 | 0 | 112.1 | L144 A147 S148 H152 V153 E154 R158 L159 L160 A188 L191 L192 | L144-M156 HydrophobicContact CD1-CB 4.26Å; L144-M156 HydrophobicContact CD1-CG 4.27Å; A147-M156 HydrophobicContact CB-CG 3.53Å; S148-M156 WeakPolarHBondContact OG-CE 3.36Å; H152-M156 WeakPolarHBondContact O-CG 3.15Å; H152-M156 PolarHBondContact O-N 3.39Å; V153-M156 WeakPolarHBondContact O-CB 3.43Å; V153-M156 PolarHBondContact O-N 3.19Å; E154-M156 VanDerWaalsContact C-N 3.28Å; E154-M156 PolarHBondContact O-N 3.25Å; M156-R158 PolarHBondContact O-N 3.06Å; M156-L159 PolarHBondContact O-N 2.94Å; M156-L160 WeakPolarHBondContact O-CB 3.49Å; M156-L160 WeakPolarHBondContact O-CG 3.39Å; M156-L160 PolarHBondContact O-N 3.16Å; M156-A188 HydrophobicContact CE-CB 3.8Å; M156-A188 HydrophobicContact SD-CB 3.53Å; M156-A188 VanDerWaalsContact SD-CB 3.53Å; M156-L191 HydrophobicContact CB-CD2 3.65Å; M156-L191 HydrophobicContact CE-CD2 4.19Å; M156-L192 HydrophobicContact CE-CD1 3.92Å; M156-L192 HydrophobicContact CE-CD2 3.87Å; M156-L192 HydrophobicContact CE-CG 3.62Å |
| 157 | R | 98.3 | Very high | 98 | Very high | 92 Ų | 92 | 42.7 Ų | 42.7 | 35% | 0.347 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -55.9 | -50.6 | 175.9 | -89.9 | -172 | -78.7 | -85.7 | 0.4 | 111.4 | V153 E154 V155 L159 L160 E161 L191 | V153-R157 VanDerWaalsContact CG1-NH1 3.32Å; V153-R157 PolarHBondContact O-N 2.96Å; E154-R157 WeakPolarHBondContact O-CB 3.11Å; E154-R157 PolarHBondContact O-N 2.65Å; E154-R157 IonicContact OE1-NE 2.79Å; E154-R157 IonicContact OE2-CZ 3.83Å; E154-R157 IonicContact OE2-NE 3.45Å; E154-R157 PolarHBondContact OE2-NE 3.25Å; E154-R157 IonicContact OE2-NH2 2.85Å; E154-R157 PolarHBondContact OE2-NH2 2.84Å; V155-R157 PolarHBondContact O-N 2.94Å; R157-L159 VanDerWaalsContact C-N 3.35Å; R157-L159 PolarHBondContact O-N 3.22Å; R157-L160 PolarHBondContact O-N 2.88Å; R157-E161 WeakPolarHBondContact O-CB 3.38Å; R157-E161 WeakPolarHBondContact O-CG 3.36Å; R157-E161 PolarHBondContact O-N 3.45Å; R157-L191 HydrophobicContact CG-CD1 4.06Å; R157-L191 HydrophobicContact CG-CD2 3.98Å |
| 158 | R | 97.9 | Very high | 97.9 | Very high | 88 Ų | 88 | 46.5 Ų | 46.5 | 33% | 0.332 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60.1 | -42.7 | 178.7 | -66.8 | -46.8 | -164.8 | -171.6 | -0.8 | 113.3 | L120 E124 E154 V155 M156 L160 E161 A162 | L120-R158 HydrophobicContact CD1-CG 3.8Å; E124-R158 HydrophobicContact CG-CG 4.19Å; E124-R158 IonicContact OE1-CZ 2.82Å; E124-R158 IonicContact OE1-NE 3.36Å; E124-R158 PolarHBondContact OE1-NE 2.83Å; E124-R158 IonicContact OE1-NH2 3.93Å; E124-R158 PolarHBondContact OE1-NH2 2.79Å; E154-R158 PolarHBondContact O-N 3.41Å; V155-R158 PolarHBondContact O-N 3.25Å; M156-R158 PolarHBondContact O-N 3.06Å; R158-L160 VanDerWaalsContact C-N 3.33Å; R158-L160 PolarHBondContact O-N 3.23Å; R158-E161 WeakPolarHBondContact CD-OE2 3.44Å; R158-E161 IonicContact CZ-OE2 3.59Å; R158-E161 IonicContact NH1-OE2 3.39Å; R158-E161 PolarHBondContact NH1-OE2 3.29Å; R158-E161 PolarHBondContact O-N 2.93Å; R158-A162 WeakPolarHBondContact O-CB 3.49Å; R158-A162 PolarHBondContact O-N 3.42Å |
| 159 | L | 98.2 | Very high | 97.9 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.6 | -42.8 | 176.8 | -69.9 | 168.7 | 0 | 0 | 0 | 111.5 | F111 V123 L127 A143 A147 V155 M156 R157 A162 G163 A164 | F111-L159 HydrophobicContact CE2-CD2 4.16Å; F111-L159 HydrophobicContact CZ-CD2 3.63Å; V123-L159 HydrophobicContact CG1-CD2 4.45Å; L127-L159 HydrophobicContact CD1-CD2 4.27Å; L127-L159 HydrophobicContact CD2-CD2 4.49Å; A143-L159 HydrophobicContact CB-CD1 3.78Å; A143-L159 HydrophobicContact CB-CD2 3.76Å; A143-L159 HydrophobicContact CB-CG 4.46Å; A147-L159 HydrophobicContact CB-CD1 4.14Å; V155-L159 HydrophobicContact CG1-CD1 3.83Å; V155-L159 HydrophobicContact CG1-CG 4.32Å; V155-L159 VanDerWaalsContact O-CG 3.23Å; V155-L159 WeakPolarHBondContact O-CG 3.46Å; V155-L159 PolarHBondContact O-N 3.26Å; M156-L159 PolarHBondContact O-N 2.94Å; R157-L159 VanDerWaalsContact C-N 3.35Å; R157-L159 PolarHBondContact O-N 3.22Å; L159-A162 PolarHBondContact O-N 2.95Å; L159-G163 PolarHBondContact O-N 3.42Å; L159-A164 HydrophobicContact CB-CB 4.01Å; L159-A164 WeakPolarHBondContact O-CB 3.2Å; L159-A164 PolarHBondContact O-N 2.85Å |
| 160 | L | 97.9 | Very high | 97.9 | Very high | 23 Ų | 23 | 47 Ų | 47 | 12% | 0.12 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -68.9 | -41.4 | 179.3 | -66.4 | 171.8 | 0 | 0 | 0 | 112.2 | L144 M156 R157 R158 A162 G163 I166 L191 Q195 | L144-L160 HydrophobicContact CD1-CD2 4.06Å; L144-L160 HydrophobicContact CD1-CG 4.12Å; L144-L160 HydrophobicContact CD2-CD2 3.74Å; M156-L160 WeakPolarHBondContact O-CB 3.49Å; M156-L160 WeakPolarHBondContact O-CG 3.39Å; M156-L160 PolarHBondContact O-N 3.16Å; R157-L160 PolarHBondContact O-N 2.88Å; R158-L160 VanDerWaalsContact C-N 3.33Å; R158-L160 PolarHBondContact O-N 3.23Å; L160-A162 VanDerWaalsContact C-N 3.26Å; L160-A162 PolarHBondContact O-N 2.77Å; L160-G163 PolarHBondContact O-N 3.18Å; L160-I166 HydrophobicContact CD2-CD1 3.91Å; L160-I166 HydrophobicContact CD2-CG1 3.34Å; L160-L191 HydrophobicContact CD1-CD2 4.34Å; L160-L191 HydrophobicContact CD1-CG 4.3Å; L160-Q195 HydrophobicContact CD1-CB 4.41Å; L160-Q195 HydrophobicContact CD1-CG 4Å |
| 161 | E | 97.3 | Very high | 97.9 | Very high | 128 Ų | 128 | 48.3 Ų | 48.3 | 60% | 0.598 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -59.6 | -37 | 172.5 | -73.8 | 169.4 | -174.6 | 0 | 0 | 111.8 | R157 R158 G163 | R157-E161 WeakPolarHBondContact O-CB 3.38Å; R157-E161 WeakPolarHBondContact O-CG 3.36Å; R157-E161 PolarHBondContact O-N 3.45Å; R158-E161 WeakPolarHBondContact CD-OE2 3.44Å; R158-E161 IonicContact CZ-OE2 3.59Å; R158-E161 IonicContact NH1-OE2 3.39Å; R158-E161 PolarHBondContact NH1-OE2 3.29Å; R158-E161 PolarHBondContact O-N 2.93Å; E161-G163 PolarHBondContact O-N 3.17Å |
| 162 | A | 97 | Very high | 97.9 | Very high | 46 Ų | 46 | 52.4 Ų | 52.4 | 38% | 0.38 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -0.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114 | L127 P133 R158 L159 L160 | L127-A162 HydrophobicContact CD1-CB 3.93Å; L127-A162 HydrophobicContact CD2-CB 3.98Å; L127-A162 HydrophobicContact CG-CB 4.36Å; P133-A162 HydrophobicContact CB-CB 4.24Å; P133-A162 WeakPolarHBondContact CG-O 3.49Å; R158-A162 WeakPolarHBondContact O-CB 3.49Å; R158-A162 PolarHBondContact O-N 3.42Å; L159-A162 PolarHBondContact O-N 2.95Å; L160-A162 VanDerWaalsContact C-N 3.26Å; L160-A162 PolarHBondContact O-N 2.77Å |
| 163 | G | 96.8 | Very high | 97.9 | Very high | 48 Ų | 48 | 55 Ų | 55 | 50% | 0.495 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.1 | 26 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | L159 L160 E161 A165 | L159-G163 PolarHBondContact O-N 3.42Å; L160-G163 PolarHBondContact O-N 3.18Å; E161-G163 PolarHBondContact O-N 3.17Å; G163-A165 PolarHBondContact O-N 3.17Å |
| 164 | A | 97.7 | Very high | 97.9 | Very high | 8 Ų | 8 | 54 Ų | 54 | 7% | 0.066 | 28% | 0.276 | C | S | . | . | trans | -59.1 | 132.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | P133 N134 L144 L159 I166 | P133-A164 HydrophobicContact CB-CB 4.23Å; N134-A164 WeakPolarHBondContact OD1-CA 3.47Å; L144-A164 HydrophobicContact CB-CB 4.46Å; L144-A164 HydrophobicContact CD2-CB 4.47Å; L159-A164 HydrophobicContact CB-CB 4.01Å; L159-A164 WeakPolarHBondContact O-CB 3.2Å; L159-A164 PolarHBondContact O-N 2.85Å; A164-I166 PolarHBondContact O-N 3.47Å | ||
| 165 | A | 97.9 | Very high | 97.9 | Very high | 38 Ų | 38 | 50.7 Ų | 50.7 | 31% | 0.314 | 26% | 0.26 | S | S | . | . | trans | -73.5 | 108.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | N134 G163 E167 Q168 | N134-A165 WeakPolarHBondContact OD1-CB 3.39Å; N134-A165 PolarHBondContact OD1-N 3.48Å; G163-A165 PolarHBondContact O-N 3.17Å; A165-E167 VanDerWaalsContact C-N 3.32Å; A165-E167 PolarHBondContact O-N 3.11Å; A165-Q168 HydrophobicContact CB-CB 3.97Å; A165-Q168 WeakPolarHBondContact O-CB 3.49Å; A165-Q168 PolarHBondContact O-N 3.41Å | ||
| 166 | I | 97.7 | Very high | 97.9 | Very high | 34 Ų | 34 | 50.7 Ų | 50.7 | 17% | 0.174 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -40.6 | -178 | -66.1 | 172.1 | 0 | 0 | 0 | 112.4 | L160 A164 Q195 A197 | L160-I166 HydrophobicContact CD2-CD1 3.91Å; L160-I166 HydrophobicContact CD2-CG1 3.34Å; A164-I166 PolarHBondContact O-N 3.47Å; I166-Q195 HydrophobicContact CD1-CB 3.77Å; I166-Q195 VanDerWaalsContact CD1-O 3.24Å; I166-Q195 WeakPolarHBondContact CD1-O 3.29Å; I166-A197 HydrophobicContact CG2-CB 3.34Å |
| 167 | E | 97.8 | Very high | 97.9 | Very high | 67 Ų | 67 | 50.7 Ų | 50.7 | 31% | 0.313 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | 9.7 | -176.4 | -64.1 | -62.4 | 133.3 | 0 | 0 | 113.1 | A165 K169 A197 K198 S201 | A165-E167 VanDerWaalsContact C-N 3.32Å; A165-E167 PolarHBondContact O-N 3.11Å; E167-K169 PolarHBondContact O-N 2.86Å; E167-A197 VanDerWaalsContact OE1-CA 3.28Å; E167-A197 WeakPolarHBondContact OE1-CA 3.25Å; E167-K198 PolarHBondContact OE1-N 2.93Å; E167-S201 PolarHBondContact OE2-OG 3.17Å |
| 168 | Q | 97.6 | Very high | 97.9 | Very high | 80 Ų | 80 | 46.5 Ų | 46.5 | 37% | 0.374 | 25% | 0.245 | S | C | . | . | trans | -59.2 | 132.1 | 173.9 | -177 | 59.9 | 56.9 | 0 | 0 | 109.1 | T142 H145 A165 | T142-Q168 HydrophobicContact CG2-CB 4.32Å; T142-Q168 HydrophobicContact CG2-CG 3.69Å; H145-Q168 PolarHBondContact CE1-O 2.98Å; H145-Q168 PolarHBondContact NE2-O 3.4Å; A165-Q168 HydrophobicContact CB-CB 3.97Å; A165-Q168 WeakPolarHBondContact O-CB 3.49Å; A165-Q168 PolarHBondContact O-N 3.41Å | ||
| 169 | K | 98.1 | Very high | 98 | Very high | 76 Ų | 76 | 44.5 Ų | 44.5 | 33% | 0.33 | 24% | 0.237 | S | C | . | . | trans | -97.4 | 142.4 | 177.1 | -73.6 | -174.4 | 170 | -154.3 | 0 | 110.2 | E167 E173 A174 T175 R202 | E167-K169 PolarHBondContact O-N 2.86Å; K169-E173 HydrophobicContact CD-CB 4Å; K169-E173 HydrophobicContact CD-CG 4.45Å; K169-E173 IonicContact NZ-OE2 3.69Å; K169-E173 PolarHBondContact NZ-OE2 3.33Å; K169-A174 WeakPolarHBondContact CA-O 3.39Å; K169-T175 HydrophobicContact CG-CG2 4.07Å; K169-R202 PolarHBondContact NZ-O 3.37Å | ||
| 170 | D | 98.1 | Very high | 98 | Very high | 6 Ų | 6 | 44.5 Ų | 44.5 | 3% | 0.032 | 24% | 0.237 | C | C | . | . | trans | -83.1 | -174.6 | 167.3 | 76.2 | 6.3 | 0 | 0 | 0 | 112 | R141 L172 E173 A174 W179 | R141-D170 HydrophobicContact CG-CB 3.9Å; D170-L172 PolarHBondContact O-N 3.33Å; D170-L172 VanDerWaalsContact OD1-C 3.31Å; D170-L172 VanDerWaalsContact OD1-CA 3.28Å; D170-L172 WeakPolarHBondContact OD1-CA 3.43Å; D170-L172 WeakPolarHBondContact OD1-CB 3.44Å; D170-L172 PolarHBondContact OD1-N 2.9Å; D170-E173 WeakPolarHBondContact O-CA 3.4Å; D170-E173 PolarHBondContact O-N 3.17Å; D170-E173 PolarHBondContact OD1-N 3.06Å; D170-A174 PolarHBondContact N-O 3.37Å; D170-A174 WeakPolarHBondContact OD1-CB 3.46Å; D170-A174 PolarHBondContact OD1-N 2.89Å; D170-W179 VanDerWaalsContact OD2-CE2 3.32Å; D170-W179 VanDerWaalsContact OD2-CZ2 3.23Å; D170-W179 WeakPolarHBondContact OD2-CZ2 3.41Å; D170-W179 PolarHBondContact OD2-NE1 3.01Å | ||
| 171 | K | 98.1 | Very high | 98 | Very high | 127 Ų | 127 | 43.4 Ų | 43.4 | 55% | 0.552 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -17 | 179.6 | -169.9 | 171.8 | -176.2 | 174.6 | 0 | 114.4 | F139 E173 | F139-K171 VanDerWaalsContact O-CB 3.24Å; F139-K171 WeakPolarHBondContact O-CB 3.34Å; F139-K171 PolarHBondContact O-N 3.05Å; K171-E173 VanDerWaalsContact C-N 3.32Å |
| 172 | L | 97.8 | Very high | 98.1 | Very high | 102 Ų | 102 | 43.4 Ų | 43.4 | 53% | 0.534 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 13.3 | 172.4 | -60.6 | 179.8 | 0 | 0 | 0 | 111.6 | D170 A174 K204 | D170-L172 PolarHBondContact O-N 3.33Å; D170-L172 VanDerWaalsContact OD1-C 3.31Å; D170-L172 VanDerWaalsContact OD1-CA 3.28Å; D170-L172 WeakPolarHBondContact OD1-CA 3.43Å; D170-L172 WeakPolarHBondContact OD1-CB 3.44Å; D170-L172 PolarHBondContact OD1-N 2.9Å; L172-A174 PolarHBondContact O-N 3.39Å; L172-A174 VanDerWaalsContact O-N 3.11Å; L172-K204 HydrophobicContact CD2-CD 4.45Å; L172-K204 WeakPolarHBondContact O-CB 3.39Å; L172-K204 PolarHBondContact O-N 3.34Å |
| 173 | E | 98.3 | Very high | 98.1 | Very high | 92 Ų | 92 | 42.6 Ų | 42.6 | 43% | 0.43 | 22% | 0.222 | S | C | . | . | trans | 58.6 | 15.1 | -174.3 | -59.4 | -169.9 | -157.6 | 0 | 0 | 114.5 | K169 D170 K171 K204 | K169-E173 HydrophobicContact CD-CB 4Å; K169-E173 HydrophobicContact CD-CG 4.45Å; K169-E173 IonicContact NZ-OE2 3.69Å; K169-E173 PolarHBondContact NZ-OE2 3.33Å; D170-E173 WeakPolarHBondContact O-CA 3.4Å; D170-E173 PolarHBondContact O-N 3.17Å; D170-E173 PolarHBondContact OD1-N 3.06Å; K171-E173 VanDerWaalsContact C-N 3.32Å; E173-K204 HydrophobicContact CB-CB 4.46Å; E173-K204 HydrophobicContact CG-CB 4.49Å | ||
| 174 | A | 98.4 | Very high | 98.1 | Very high | 9 Ų | 9 | 41.2 Ų | 41.2 | 7% | 0.074 | 21% | 0.208 | C | C | . | . | trans | -80.7 | 137.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | H145 K169 D170 L172 H178 D203 | H145-A174 PolarHBondContact NE2-O 3.49Å; K169-A174 WeakPolarHBondContact CA-O 3.39Å; D170-A174 PolarHBondContact N-O 3.37Å; D170-A174 WeakPolarHBondContact OD1-CB 3.46Å; D170-A174 PolarHBondContact OD1-N 2.89Å; L172-A174 PolarHBondContact O-N 3.39Å; L172-A174 VanDerWaalsContact O-N 3.11Å; A174-H178 HydrophobicContact CB-CB 3.92Å; A174-D203 HydrophobicContact CB-CB 4.42Å | ||
| 175 | T | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.213 | C | C | . | . | trans | -95.3 | 170.8 | 175.6 | 63.2 | 0 | 0 | 0 | 0 | 111.3 | K169 V177 H178 W179 | K169-T175 HydrophobicContact CG-CG2 4.07Å; T175-V177 PolarHBondContact O-N 3.28Å; T175-V177 VanDerWaalsContact O-N 3.1Å; T175-H178 PolarHBondContact N-ND1 3.36Å; T175-H178 WeakPolarHBondContact O-CB 3.13Å; T175-H178 PolarHBondContact O-N 3.11Å; T175-H178 PolarHBondContact OG1-ND1 2.8Å; T175-W179 PolarHBondContact O-N 3.29Å | ||
| 176 | A | 98.3 | Very high | 98.1 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.008 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -51.2 | -35.9 | 175 | 0 | 0 | 0 | 0 | 0 | 113.2 | L144 H145 S148 W179 A180 L192 | L144-A176 HydrophobicContact CD2-CB 3.91Å; L144-A176 HydrophobicContact CG-CB 3.89Å; H145-A176 PolarHBondContact CD2-N 3.47Å; H145-A176 PolarHBondContact NE2-N 3.45Å; S148-A176 WeakPolarHBondContact CB-O 3.17Å; A176-W179 PolarHBondContact O-N 2.91Å; A176-A180 PolarHBondContact O-N 3.36Å; A176-L192 HydrophobicContact CB-CD1 3.88Å; A176-L192 HydrophobicContact CB-CD2 3.83Å; A176-L192 WeakPolarHBondContact O-CD1 3.5Å |
| 177 | V | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63 | -42.8 | 177.1 | -174.7 | 0 | 0 | 0 | 0 | 111.4 | T175 W179 A180 C181 L189 L192 L193 A197 P209 | T175-V177 PolarHBondContact O-N 3.28Å; T175-V177 VanDerWaalsContact O-N 3.1Å; V177-W179 VanDerWaalsContact C-N 3.28Å; V177-W179 PolarHBondContact O-N 3.4Å; V177-A180 PolarHBondContact O-N 3.24Å; V177-C181 WeakPolarHBondContact O-CB 3.45Å; V177-C181 PolarHBondContact O-N 2.75Å; V177-C181 PolarHBondContact O-SG 3.27Å; V177-L189 HydrophobicContact CG1-CD1 3.65Å; V177-L192 HydrophobicContact CG2-CB 4.21Å; V177-L192 HydrophobicContact CG2-CD1 4.32Å; V177-L193 HydrophobicContact CG1-CD2 4.42Å; V177-A197 HydrophobicContact CG2-CB 3.39Å; V177-P209 HydrophobicContact CB-CG 4.23Å; V177-P209 HydrophobicContact CG1-CB 3.77Å; V177-P209 HydrophobicContact CG1-CG 3.69Å |
| 178 | H | 98.8 | Very high | 98.2 | Very high | 4 Ų | 4 | 40.4 Ų | 40.4 | 2% | 0.019 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.5 | -41.5 | 175.1 | -67 | 83 | 0 | 0 | 0 | 111 | A174 T175 C181 R182 S201 S207 P209 | A174-H178 HydrophobicContact CB-CB 3.92Å; T175-H178 PolarHBondContact N-ND1 3.36Å; T175-H178 WeakPolarHBondContact O-CB 3.13Å; T175-H178 PolarHBondContact O-N 3.11Å; T175-H178 PolarHBondContact OG1-ND1 2.8Å; H178-C181 PolarHBondContact O-N 3.01Å; H178-R182 WeakPolarHBondContact O-CB 3.33Å; H178-R182 PolarHBondContact O-N 2.86Å; H178-S201 PolarHBondContact CE1-O 3.29Å; H178-S201 PolarHBondContact NE2-O 3.29Å; H178-S207 PolarHBondContact NE2-O 3.05Å; H178-P209 WeakPolarHBondContact NE2-CD 3.48Å |
| 179 | W | 98.6 | Very high | 98.3 | Very high | 45 Ų | 45 | 36.6 Ų | 36.6 | 17% | 0.17 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -69.9 | -38.3 | 179.4 | -76.3 | 89.8 | 0 | 0 | 0 | 112.8 | R141 H145 F149 D170 T175 A176 V177 C181 R182 G183 | R141-W179 VanDerWaalsContact CD-CZ2 3.41Å; R141-W179 HydrophobicContact CG-CZ2 3.95Å; H145-W179 HydrophobicContact CB-CG 4.14Å; H145-W179 AromaticContact CD2-CD1 3.23Å; H145-W179 AromaticContact CD2-NE1 3.64Å; H145-W179 AromaticContact CG-CD1 3.93Å; F149-W179 WeakPolarHBondContact CA-O 3.34Å; F149-W179 HydrophobicContact CB-CB 4.39Å; F149-W179 HydrophobicContact CB-CE3 3.8Å; F149-W179 AromaticContact CD2-CE3 3.81Å; F149-W179 HydrophobicContact CD2-CE3 3.81Å; F149-W179 HydrophobicContact CD2-CZ3 4.19Å; F149-W179 AromaticContact CG-CE3 3.91Å; F149-W179 HydrophobicContact CG-CE3 3.91Å; F149-W179 HydrophobicContact CG-CZ3 4.29Å; D170-W179 VanDerWaalsContact OD2-CE2 3.32Å; D170-W179 VanDerWaalsContact OD2-CZ2 3.23Å; D170-W179 WeakPolarHBondContact OD2-CZ2 3.41Å; D170-W179 PolarHBondContact OD2-NE1 3.01Å; T175-W179 PolarHBondContact O-N 3.29Å; A176-W179 PolarHBondContact O-N 2.91Å; V177-W179 VanDerWaalsContact C-N 3.28Å; V177-W179 PolarHBondContact O-N 3.4Å; W179-C181 VanDerWaalsContact C-N 3.34Å; W179-R182 WeakPolarHBondContact O-CB 3.3Å; W179-R182 PolarHBondContact O-N 3.26Å; W179-G183 PolarHBondContact O-N 2.95Å |
| 180 | A | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.3 | -44.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | S148 A176 V177 R182 G183 G184 S185 A188 L189 L192 | S148-A180 WeakPolarHBondContact O-CA 3.39Å; A176-A180 PolarHBondContact O-N 3.36Å; V177-A180 PolarHBondContact O-N 3.24Å; A180-R182 VanDerWaalsContact C-N 3.33Å; A180-R182 PolarHBondContact O-N 3.38Å; A180-G183 PolarHBondContact O-N 3.31Å; A180-G184 PolarHBondContact O-N 3.25Å; A180-S185 PolarHBondContact O-N 3.34Å; A180-A188 HydrophobicContact CB-CB 4.27Å; A180-L189 HydrophobicContact CB-CB 4.25Å; A180-L192 HydrophobicContact CB-CD1 3.85Å |
| 181 | C | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.8 | -33.8 | 175.3 | -69.6 | 0 | 0 | 0 | 0 | 113.1 | V177 H178 W179 V212 A213 T216 H218 | V177-C181 WeakPolarHBondContact O-CB 3.45Å; V177-C181 PolarHBondContact O-N 2.75Å; V177-C181 PolarHBondContact O-SG 3.27Å; H178-C181 PolarHBondContact O-N 3.01Å; W179-C181 VanDerWaalsContact C-N 3.34Å; C181-V212 HydrophobicContact CB-CB 4.37Å; C181-V212 HydrophobicContact CB-CG1 4.33Å; C181-A213 HydrophobicContact CB-CB 4Å; C181-T216 PolarHBondContact O-OG1 3.43Å; C181-H218 PolarHBondContact O-CD2 3.04Å |
| 182 | R | 98.4 | Very high | 98.4 | Very high | 129 Ų | 129 | 30.7 Ų | 30.7 | 49% | 0.487 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -69.6 | -40.9 | 174.4 | -172 | 84.3 | -176.6 | 170.1 | -6.7 | 111.6 | F149 H178 W179 A180 V212 T216 H218 | F149-R182 HydrophobicContact CD2-CB 4.32Å; F149-R182 HydrophobicContact CD2-CG 4.19Å; F149-R182 HydrophobicContact CE2-CG 3.99Å; H178-R182 WeakPolarHBondContact O-CB 3.33Å; H178-R182 PolarHBondContact O-N 2.86Å; W179-R182 WeakPolarHBondContact O-CB 3.3Å; W179-R182 PolarHBondContact O-N 3.26Å; A180-R182 VanDerWaalsContact C-N 3.33Å; A180-R182 PolarHBondContact O-N 3.38Å; R182-V212 HydrophobicContact CB-CG1 3.79Å; R182-V212 HydrophobicContact CG-CG1 4.47Å; R182-T216 HydrophobicContact CG-CG2 4.21Å; R182-H218 PolarHBondContact O-CD2 3.49Å; R182-H218 PolarHBondContact O-NE2 3.21Å |
| 183 | G | 97.6 | Very high | 98.4 | Very high | 28 Ų | 28 | 27.1 Ų | 27.1 | 29% | 0.289 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -72.8 | -28.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | F149 W179 A180 | F149-G183 WeakPolarHBondContact O-CA 3.3Å; W179-G183 PolarHBondContact O-N 2.95Å; A180-G183 PolarHBondContact O-N 3.31Å |
| 184 | G | 97.6 | Very high | 98.4 | Very high | 20 Ų | 20 | 30 Ų | 30 | 21% | 0.206 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.9 | 14 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | A180 L186 H218 | A180-G184 PolarHBondContact O-N 3.25Å; G184-L186 PolarHBondContact O-N 2.8Å; G184-H218 WeakPolarHBondContact CA-CD2 3.4Å; G184-H218 PolarHBondContact N-CD2 2.91Å; G184-H218 PolarHBondContact N-NE2 3.2Å |
| 185 | S | 97.7 | Very high | 98.3 | Very high | 23 Ų | 23 | 34.6 Ų | 34.6 | 16% | 0.161 | 18% | 0.178 | C | C | . | . | trans | -85 | 100.2 | 178 | 179.4 | 0 | 0 | 0 | 0 | 110.7 | G151 A180 A188 L189 | G151-S185 VanDerWaalsContact CA-CB 3.48Å; G151-S185 WeakPolarHBondContact CA-OG 3.24Å; A180-S185 PolarHBondContact O-N 3.34Å; S185-A188 PolarHBondContact O-N 3Å; S185-A188 WeakPolarHBondContact OG-CB 3.46Å; S185-A188 PolarHBondContact OG-N 2.65Å; S185-L189 PolarHBondContact O-N 2.87Å | ||
| 186 | L | 98.4 | Very high | 98.2 | Very high | 37 Ų | 37 | 37.3 Ų | 37.3 | 19% | 0.194 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -57 | -43.2 | 173.6 | 176 | 65.3 | 0 | 0 | 0 | 112.5 | G184 A188 L189 Q190 E220 H224 | G184-L186 PolarHBondContact O-N 2.8Å; L186-A188 VanDerWaalsContact C-N 3.32Å; L186-A188 PolarHBondContact O-N 3.43Å; L186-L189 HydrophobicContact CD1-CD2 4.44Å; L186-L189 WeakPolarHBondContact O-CB 3.36Å; L186-L189 PolarHBondContact O-N 3.27Å; L186-Q190 HydrophobicContact CD1-CG 4.03Å; L186-Q190 HydrophobicContact CG-CG 4.31Å; L186-Q190 WeakPolarHBondContact O-CB 3.37Å; L186-Q190 WeakPolarHBondContact O-CG 3.47Å; L186-Q190 PolarHBondContact O-N 3.32Å; L186-E220 HydrophobicContact CD2-CB 4.34Å; L186-H224 HydrophobicContact CD1-CB 3.53Å |
| 187 | P | 98.6 | Very high | 98.2 | Very high | 69 Ų | 69 | 37.6 Ų | 37.6 | 45% | 0.448 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -61.1 | -37.8 | 176.4 | -27.3 | 37.4 | 0 | 0 | 0 | 113.8 | V153 L191 | V153-P187 HydrophobicContact CG2-CB 3.78Å; P187-L191 WeakPolarHBondContact O-CB 3.48Å; P187-L191 PolarHBondContact O-N 3.04Å |
| 188 | A | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.8 | -43.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | M156 A180 S185 L186 L191 L192 | M156-A188 HydrophobicContact CE-CB 3.8Å; M156-A188 HydrophobicContact SD-CB 3.53Å; M156-A188 VanDerWaalsContact SD-CB 3.53Å; A180-A188 HydrophobicContact CB-CB 4.27Å; S185-A188 PolarHBondContact O-N 3Å; S185-A188 WeakPolarHBondContact OG-CB 3.46Å; S185-A188 PolarHBondContact OG-N 2.65Å; L186-A188 VanDerWaalsContact C-N 3.32Å; L186-A188 PolarHBondContact O-N 3.43Å; A188-L191 PolarHBondContact O-N 3.2Å; A188-L192 WeakPolarHBondContact O-CG 3.4Å; A188-L192 PolarHBondContact O-N 3.31Å; A188-L192 VanDerWaalsContact O-N 3.09Å |
| 189 | L | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.1 | -50.3 | 174.7 | 174.3 | 61.8 | 0 | 0 | 0 | 111.2 | V177 A180 S185 L186 L191 L192 L193 C221 L225 | V177-L189 HydrophobicContact CG1-CD1 3.65Å; A180-L189 HydrophobicContact CB-CB 4.25Å; S185-L189 PolarHBondContact O-N 2.87Å; L186-L189 HydrophobicContact CD1-CD2 4.44Å; L186-L189 WeakPolarHBondContact O-CB 3.36Å; L186-L189 PolarHBondContact O-N 3.27Å; L189-L191 VanDerWaalsContact C-N 3.33Å; L189-L191 PolarHBondContact O-N 3.03Å; L189-L192 PolarHBondContact O-N 3.03Å; L189-L193 HydrophobicContact CD1-CD1 3.96Å; L189-L193 HydrophobicContact CD1-CD2 4.46Å; L189-L193 HydrophobicContact CD1-CG 4.04Å; L189-L193 HydrophobicContact CG-CD1 4.09Å; L189-L193 HydrophobicContact CG-CG 4.48Å; L189-L193 WeakPolarHBondContact O-CG 3.15Å; L189-L193 PolarHBondContact O-N 3.39Å; L189-C221 HydrophobicContact CD2-CB 3.87Å; L189-L225 HydrophobicContact CD1-CD2 4.13Å; L189-L225 HydrophobicContact CD2-CD2 4.35Å; L189-L225 HydrophobicContact CD2-CG 4.07Å |
| 190 | Q | 98.6 | Very high | 97.9 | Very high | 66 Ų | 66 | 47.9 Ų | 47.9 | 31% | 0.308 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -58.2 | -44.3 | 178.4 | -76.7 | 174.7 | -22 | 0 | 0 | 111.9 | L186 L192 L193 H194 H224 | L186-Q190 HydrophobicContact CD1-CG 4.03Å; L186-Q190 HydrophobicContact CG-CG 4.31Å; L186-Q190 WeakPolarHBondContact O-CB 3.37Å; L186-Q190 WeakPolarHBondContact O-CG 3.47Å; L186-Q190 PolarHBondContact O-N 3.32Å; Q190-L192 PolarHBondContact O-N 3.47Å; Q190-L193 PolarHBondContact O-N 3.19Å; Q190-H194 WeakPolarHBondContact O-CB 3.37Å; Q190-H194 PolarHBondContact O-N 3.29Å; Q190-H194 PolarHBondContact O-ND1 2.86Å; Q190-H224 WeakPolarHBondContact CG-NE2 2.97Å |
| 191 | L | 98.6 | Very high | 97.8 | Very high | 19 Ų | 19 | 48.6 Ų | 48.6 | 10% | 0.099 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57.4 | -48.7 | 176 | 176 | 63.7 | 0 | 0 | 0 | 111.4 | V153 M156 R157 L160 P187 A188 L189 H194 Q195 | V153-L191 HydrophobicContact CG1-CB 4.44Å; V153-L191 HydrophobicContact CG1-CD2 3.75Å; M156-L191 HydrophobicContact CB-CD2 3.65Å; M156-L191 HydrophobicContact CE-CD2 4.19Å; R157-L191 HydrophobicContact CG-CD1 4.06Å; R157-L191 HydrophobicContact CG-CD2 3.98Å; L160-L191 HydrophobicContact CD1-CD2 4.34Å; L160-L191 HydrophobicContact CD1-CG 4.3Å; P187-L191 WeakPolarHBondContact O-CB 3.48Å; P187-L191 PolarHBondContact O-N 3.04Å; A188-L191 PolarHBondContact O-N 3.2Å; L189-L191 VanDerWaalsContact C-N 3.33Å; L189-L191 PolarHBondContact O-N 3.03Å; L191-H194 PolarHBondContact O-N 3.45Å; L191-Q195 HydrophobicContact CD1-CG 4.15Å; L191-Q195 WeakPolarHBondContact O-CB 3.36Å; L191-Q195 WeakPolarHBondContact O-CG 3.47Å; L191-Q195 PolarHBondContact O-N 3.06Å |
| 192 | L | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.7 | -46.3 | -179.8 | -68.9 | 168.1 | 0 | 0 | 0 | 111.6 | L144 M156 A176 V177 A180 A188 L189 Q190 H194 Q195 G196 A197 | L144-L192 HydrophobicContact CD1-CD2 4.26Å; L144-L192 HydrophobicContact CD2-CD2 4.27Å; L144-L192 HydrophobicContact CG-CD2 4.45Å; M156-L192 HydrophobicContact CE-CD1 3.92Å; M156-L192 HydrophobicContact CE-CD2 3.87Å; M156-L192 HydrophobicContact CE-CG 3.62Å; A176-L192 HydrophobicContact CB-CD1 3.88Å; A176-L192 HydrophobicContact CB-CD2 3.83Å; A176-L192 WeakPolarHBondContact O-CD1 3.5Å; V177-L192 HydrophobicContact CG2-CB 4.21Å; V177-L192 HydrophobicContact CG2-CD1 4.32Å; A180-L192 HydrophobicContact CB-CD1 3.85Å; A188-L192 WeakPolarHBondContact O-CG 3.4Å; A188-L192 PolarHBondContact O-N 3.31Å; A188-L192 VanDerWaalsContact O-N 3.09Å; L189-L192 PolarHBondContact O-N 3.03Å; Q190-L192 PolarHBondContact O-N 3.47Å; L192-H194 PolarHBondContact O-N 3.46Å; L192-Q195 CarbonylContact O-C 3.58Å; L192-Q195 PolarHBondContact O-N 2.77Å; L192-Q195 VanDerWaalsContact O-N 3.14Å; L192-G196 PolarHBondContact O-N 2.83Å; L192-A197 HydrophobicContact CB-CB 3.89Å; L192-A197 WeakPolarHBondContact O-CB 3.41Å; L192-A197 PolarHBondContact O-N 3.36Å |
| 193 | L | 98.1 | Very high | 97.8 | Very high | 27 Ų | 27 | 47.7 Ų | 47.7 | 14% | 0.141 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65 | -40 | 179.6 | -62.7 | -179.2 | 0 | 0 | 0 | 112 | V177 L189 Q190 Q195 G196 A197 F199 L225 | V177-L193 HydrophobicContact CG1-CD2 4.42Å; L189-L193 HydrophobicContact CD1-CD1 3.96Å; L189-L193 HydrophobicContact CD1-CD2 4.46Å; L189-L193 HydrophobicContact CD1-CG 4.04Å; L189-L193 HydrophobicContact CG-CD1 4.09Å; L189-L193 HydrophobicContact CG-CG 4.48Å; L189-L193 WeakPolarHBondContact O-CG 3.15Å; L189-L193 PolarHBondContact O-N 3.39Å; Q190-L193 PolarHBondContact O-N 3.19Å; L193-Q195 PolarHBondContact O-N 3.39Å; L193-G196 PolarHBondContact O-N 3.22Å; L193-A197 WeakPolarHBondContact CD2-O 3.48Å; L193-F199 HydrophobicContact CD2-CB 3.92Å; L193-F199 HydrophobicContact CD2-CD1 4.32Å; L193-L225 HydrophobicContact CD1-CD2 4.44Å |
| 194 | H | 97.9 | Very high | 97.8 | Very high | 152 Ų | 152 | 51.8 Ų | 51.8 | 70% | 0.704 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -62.5 | -30.9 | 173.7 | -70.6 | 165.2 | 0 | 0 | 0 | 112.8 | Q190 L191 L192 G196 | Q190-H194 WeakPolarHBondContact O-CB 3.37Å; Q190-H194 PolarHBondContact O-N 3.29Å; Q190-H194 PolarHBondContact O-ND1 2.86Å; L191-H194 PolarHBondContact O-N 3.45Å; L192-H194 PolarHBondContact O-N 3.46Å; H194-G196 PolarHBondContact O-N 3.12Å |
| 195 | Q | 97.6 | Very high | 97.8 | Very high | 107 Ų | 107 | 54.8 Ų | 54.8 | 50% | 0.5 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | 10.1 | 176.3 | -64.2 | -71.8 | -8.4 | 0 | 0 | 112.7 | L160 I166 L191 L192 L193 | L160-Q195 HydrophobicContact CD1-CB 4.41Å; L160-Q195 HydrophobicContact CD1-CG 4Å; I166-Q195 HydrophobicContact CD1-CB 3.77Å; I166-Q195 VanDerWaalsContact CD1-O 3.24Å; I166-Q195 WeakPolarHBondContact CD1-O 3.29Å; L191-Q195 HydrophobicContact CD1-CG 4.15Å; L191-Q195 WeakPolarHBondContact O-CB 3.36Å; L191-Q195 WeakPolarHBondContact O-CG 3.47Å; L191-Q195 PolarHBondContact O-N 3.06Å; L192-Q195 CarbonylContact O-C 3.58Å; L192-Q195 PolarHBondContact O-N 2.77Å; L192-Q195 VanDerWaalsContact O-N 3.14Å; L193-Q195 PolarHBondContact O-N 3.39Å |
| 196 | G | 96.3 | Very high | 97.8 | Very high | 57 Ų | 57 | 58.3 Ų | 58.3 | 59% | 0.588 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.5 | 13.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115 | L192 L193 H194 | L192-G196 PolarHBondContact O-N 2.83Å; L193-G196 PolarHBondContact O-N 3.22Å; H194-G196 PolarHBondContact O-N 3.12Å |
| 197 | A | 97.6 | Very high | 97.8 | Very high | 7 Ų | 7 | 56.5 Ų | 56.5 | 6% | 0.058 | 29% | 0.29 | C | S | . | . | trans | -64.1 | 142.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | I166 E167 V177 L192 L193 | I166-A197 HydrophobicContact CG2-CB 3.34Å; E167-A197 VanDerWaalsContact OE1-CA 3.28Å; E167-A197 WeakPolarHBondContact OE1-CA 3.25Å; V177-A197 HydrophobicContact CG2-CB 3.39Å; L192-A197 HydrophobicContact CB-CB 3.89Å; L192-A197 WeakPolarHBondContact O-CB 3.41Å; L192-A197 PolarHBondContact O-N 3.36Å; L193-A197 WeakPolarHBondContact CD2-O 3.48Å | ||
| 198 | K | 97.5 | Very high | 97.8 | Very high | 123 Ų | 123 | 53.7 Ų | 53.7 | 54% | 0.535 | 27% | 0.271 | S | S | . | . | trans | -84.7 | 118.9 | -178.9 | -65.7 | 176.1 | -176.2 | 173.7 | 0 | 111.2 | E167 T200 S201 | E167-K198 PolarHBondContact OE1-N 2.93Å; K198-T200 PolarHBondContact O-N 3.39Å; K198-S201 WeakPolarHBondContact CB-OG 3.41Å; K198-S201 PolarHBondContact O-OG 2.96Å | ||
| 199 | F | 95.7 | Very high | 97.8 | Very high | 54 Ų | 54 | 53.7 Ų | 53.7 | 24% | 0.237 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -5.3 | 170.4 | 63.6 | -98 | 0 | 0 | 0 | 113.8 | L193 P209 L225 C228 A230 | L193-F199 HydrophobicContact CD2-CB 3.92Å; L193-F199 HydrophobicContact CD2-CD1 4.32Å; F199-P209 VanDerWaalsContact O-CD 3.26Å; F199-P209 WeakPolarHBondContact O-CD 3.27Å; F199-L225 HydrophobicContact CB-CD2 3.68Å; F199-C228 HydrophobicContact CD1-CB 4.34Å; F199-C228 HydrophobicContact CE1-CB 4.25Å; F199-C228 WeakPolarHBondContact CE1-O 3.48Å; F199-C228 WeakPolarHBondContact CZ-O 3.2Å; F199-A230 HydrophobicContact CD2-CB 3.98Å; F199-A230 HydrophobicContact CE2-CB 4.29Å |
| 200 | T | 96.8 | Very high | 97.8 | Very high | 87 Ų | 87 | 53.8 Ų | 53.8 | 53% | 0.534 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -4.4 | 179.8 | 60 | 0 | 0 | 0 | 0 | 113.5 | K198 | K198-T200 PolarHBondContact O-N 3.39Š|
| 201 | S | 96.2 | Very high | 97.8 | Very high | 16 Ų | 16 | 50.6 Ų | 50.6 | 11% | 0.112 | 26% | 0.257 | C | S | . | . | trans | -56.9 | 149.6 | -179.6 | -68.7 | 0 | 0 | 0 | 0 | 111.3 | E167 H178 K198 P209 | E167-S201 PolarHBondContact OE2-OG 3.17Å; H178-S201 PolarHBondContact CE1-O 3.29Å; H178-S201 PolarHBondContact NE2-O 3.29Å; K198-S201 WeakPolarHBondContact CB-OG 3.41Å; K198-S201 PolarHBondContact O-OG 2.96Å; S201-P209 WeakPolarHBondContact O-CD 3.36Å | ||
| 202 | R | 97.9 | Very high | 97.8 | Very high | 91 Ų | 91 | 50.2 Ų | 50.2 | 34% | 0.343 | 26% | 0.255 | S | S | . | . | trans | -117.7 | 129.3 | -176.4 | -60.5 | -71.7 | -178.3 | 109.4 | 0.1 | 109.7 | K169 Q206 S207 R235 | K169-R202 PolarHBondContact NZ-O 3.37Å; R202-Q206 VanDerWaalsContact CD-O 3.24Å; R202-Q206 WeakPolarHBondContact CD-O 3.26Å; R202-Q206 PolarHBondContact NH1-O 3.49Å; R202-S207 WeakPolarHBondContact CA-O 3.27Å; R202-R235 PolarHBondContact NH1-O 3.41Å | ||
| 203 | D | 98.3 | Very high | 97.7 | Very high | 18 Ų | 18 | 50.2 Ų | 50.2 | 10% | 0.096 | 26% | 0.255 | C | S | . | . | trans | -79.2 | -177.6 | 170.3 | 77.1 | 7.9 | 0 | 0 | 0 | 111.7 | A174 L205 Q206 S207 | A174-D203 HydrophobicContact CB-CB 4.42Å; D203-L205 PolarHBondContact O-N 3.39Å; D203-L205 VanDerWaalsContact O-N 3.15Å; D203-L205 WeakPolarHBondContact OD1-CA 3.46Å; D203-L205 WeakPolarHBondContact OD1-CB 3.22Å; D203-L205 PolarHBondContact OD1-N 3.12Å; D203-Q206 WeakPolarHBondContact O-CA 3.47Å; D203-Q206 PolarHBondContact O-N 2.88Å; D203-Q206 PolarHBondContact OD1-N 3.24Å; D203-S207 VanDerWaalsContact CG-CB 3.5Å; D203-S207 PolarHBondContact N-O 3.16Å; D203-S207 WeakPolarHBondContact OD1-CA 3.22Å; D203-S207 WeakPolarHBondContact OD1-CB 3.43Å; D203-S207 PolarHBondContact OD1-N 2.99Å; D203-S207 PolarHBondContact OD1-OG 3.4Å; D203-S207 WeakPolarHBondContact OD2-CB 3.48Å; D203-S207 PolarHBondContact OD2-OG 3.47Å | ||
| 204 | K | 98 | Very high | 97.7 | Very high | 114 Ų | 114 | 48.9 Ų | 48.9 | 50% | 0.496 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -20.1 | -178.3 | -175.1 | 172.8 | -175.8 | 175.4 | 0 | 113.9 | L172 E173 Q206 | L172-K204 HydrophobicContact CD2-CD 4.45Å; L172-K204 WeakPolarHBondContact O-CB 3.39Å; L172-K204 PolarHBondContact O-N 3.34Å; E173-K204 HydrophobicContact CB-CB 4.46Å; E173-K204 HydrophobicContact CG-CB 4.49Å; K204-Q206 VanDerWaalsContact C-N 3.28Å |
| 205 | L | 97.4 | Very high | 97.7 | Very high | 84 Ų | 84 | 44.5 Ų | 44.5 | 44% | 0.44 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 15.2 | 172.8 | -60.2 | 179.2 | 0 | 0 | 0 | 111.4 | D203 S207 D236 R237 | D203-L205 PolarHBondContact O-N 3.39Å; D203-L205 VanDerWaalsContact O-N 3.15Å; D203-L205 WeakPolarHBondContact OD1-CA 3.46Å; D203-L205 WeakPolarHBondContact OD1-CB 3.22Å; D203-L205 PolarHBondContact OD1-N 3.12Å; L205-S207 WeakPolarHBondContact CB-OG 3.38Å; L205-S207 PolarHBondContact O-N 3.41Å; L205-S207 VanDerWaalsContact O-N 3.09Å; L205-D236 WeakPolarHBondContact O-CB 3.43Å; L205-R237 WeakPolarHBondContact O-CB 3.31Å; L205-R237 PolarHBondContact O-N 3.2Å |
| 206 | Q | 98.3 | Very high | 97.6 | Very high | 96 Ų | 96 | 41 Ų | 41 | 45% | 0.449 | 21% | 0.211 | S | C | . | . | trans | 54.5 | 22.5 | -172.3 | -60.6 | -71.3 | 1.1 | 0 | 0 | 113.2 | R202 D203 K204 D236 R237 | R202-Q206 VanDerWaalsContact CD-O 3.24Å; R202-Q206 WeakPolarHBondContact CD-O 3.26Å; R202-Q206 PolarHBondContact NH1-O 3.49Å; D203-Q206 WeakPolarHBondContact O-CA 3.47Å; D203-Q206 PolarHBondContact O-N 2.88Å; D203-Q206 PolarHBondContact OD1-N 3.24Å; K204-Q206 VanDerWaalsContact C-N 3.28Å; Q206-D236 WeakPolarHBondContact O-CA 3.31Å; Q206-R237 HydrophobicContact CB-CB 4.19Å; Q206-R237 HydrophobicContact CG-CB 4.27Å | ||
| 207 | S | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -78.9 | 140.5 | 179.6 | -35.3 | 0 | 0 | 0 | 0 | 109.3 | H178 R202 D203 L205 R215 | H178-S207 PolarHBondContact NE2-O 3.05Å; R202-S207 WeakPolarHBondContact CA-O 3.27Å; D203-S207 VanDerWaalsContact CG-CB 3.5Å; D203-S207 PolarHBondContact N-O 3.16Å; D203-S207 WeakPolarHBondContact OD1-CA 3.22Å; D203-S207 WeakPolarHBondContact OD1-CB 3.43Å; D203-S207 PolarHBondContact OD1-N 2.99Å; D203-S207 PolarHBondContact OD1-OG 3.4Å; D203-S207 WeakPolarHBondContact OD2-CB 3.48Å; D203-S207 PolarHBondContact OD2-OG 3.47Å; L205-S207 WeakPolarHBondContact CB-OG 3.38Å; L205-S207 PolarHBondContact O-N 3.41Å; L205-S207 VanDerWaalsContact O-N 3.09Å; S207-R215 PolarHBondContact OG-NH1 3.36Å; S207-R215 PolarHBondContact OG-NH2 2.99Å | ||
| 208 | T | 98.5 | Very high | 97.6 | Very high | 9 Ų | 9 | 41.7 Ų | 41.7 | 6% | 0.055 | 20% | 0.204 | C | C | . | . | trans | -84.2 | 164.4 | 167 | 64.6 | 0 | 0 | 0 | 0 | 110.5 | L210 H211 V212 A234 | T208-L210 PolarHBondContact O-N 3.08Å; T208-L210 VanDerWaalsContact O-N 3.11Å; T208-L210 PolarHBondContact OG1-N 2.82Å; T208-H211 PolarHBondContact N-ND1 3.49Å; T208-H211 WeakPolarHBondContact O-CB 3.46Å; T208-H211 PolarHBondContact O-N 3.42Å; T208-H211 PolarHBondContact OG1-N 2.76Å; T208-H211 PolarHBondContact OG1-ND1 2.87Å; T208-V212 PolarHBondContact O-N 3.02Å; T208-A234 HydrophobicContact CG2-CB 4.02Å | ||
| 209 | P | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -51.3 | -31.8 | 168.7 | -29.7 | 35.2 | 0 | 0 | 0 | 114 | V177 H178 F199 S201 V212 A213 L225 | V177-P209 HydrophobicContact CB-CG 4.23Å; V177-P209 HydrophobicContact CG1-CB 3.77Å; V177-P209 HydrophobicContact CG1-CG 3.69Å; H178-P209 WeakPolarHBondContact NE2-CD 3.48Å; F199-P209 VanDerWaalsContact O-CD 3.26Å; F199-P209 WeakPolarHBondContact O-CD 3.27Å; S201-P209 WeakPolarHBondContact O-CD 3.36Å; P209-V212 PolarHBondContact O-N 2.93Å; P209-A213 PolarHBondContact O-N 3.06Å; P209-L225 HydrophobicContact CB-CD1 3.97Å; P209-L225 HydrophobicContact CB-CD2 4.36Å |
| 210 | L | 98.5 | Very high | 97.7 | Very high | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.7 | -44.1 | 175.7 | -179.9 | 59.5 | 0 | 0 | 0 | 111.8 | T208 V212 A213 V214 A222 L225 I226 A230 A232 P242 | T208-L210 PolarHBondContact O-N 3.08Å; T208-L210 VanDerWaalsContact O-N 3.11Å; T208-L210 PolarHBondContact OG1-N 2.82Å; L210-V212 VanDerWaalsContact C-N 3.28Å; L210-V212 PolarHBondContact O-N 3.44Å; L210-A213 PolarHBondContact O-N 3.28Å; L210-V214 HydrophobicContact CD1-CG2 4.19Å; L210-V214 WeakPolarHBondContact O-CB 3.43Å; L210-V214 VanDerWaalsContact O-CG2 3.25Å; L210-V214 WeakPolarHBondContact O-CG2 3.39Å; L210-V214 PolarHBondContact O-N 2.89Å; L210-A222 HydrophobicContact CD1-CB 3.8Å; L210-L225 HydrophobicContact CB-CD1 4.1Å; L210-L225 HydrophobicContact CD1-CB 4.4Å; L210-L225 HydrophobicContact CD1-CD1 4.42Å; L210-I226 HydrophobicContact CD1-CD1 4.2Å; L210-I226 HydrophobicContact CD1-CG1 4.02Å; L210-I226 HydrophobicContact CD2-CG1 4.01Å; L210-A230 HydrophobicContact CB-CB 4.44Å; L210-A230 HydrophobicContact CD2-CB 4.2Å; L210-A232 HydrophobicContact CD2-CB 4.47Å; L210-P242 HydrophobicContact CD2-CB 4.45Å; L210-P242 HydrophobicContact CD2-CG 3.95Å; L210-P242 HydrophobicContact CG-CB 4.35Å; L210-P242 HydrophobicContact CG-CG 4.04Å |
| 211 | H | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -57.2 | -45.5 | 172.8 | -70.3 | 84.4 | 0 | 0 | 0 | 110.7 | T208 V214 R215 A234 D240 P242 D245 | T208-H211 PolarHBondContact N-ND1 3.49Å; T208-H211 WeakPolarHBondContact O-CB 3.46Å; T208-H211 PolarHBondContact O-N 3.42Å; T208-H211 PolarHBondContact OG1-N 2.76Å; T208-H211 PolarHBondContact OG1-ND1 2.87Å; H211-V214 PolarHBondContact O-N 3.02Å; H211-R215 WeakPolarHBondContact O-CB 3.38Å; H211-R215 VanDerWaalsContact O-CG 3.29Å; H211-R215 WeakPolarHBondContact O-CG 3.34Å; H211-R215 PolarHBondContact O-N 3.22Å; H211-A234 PolarHBondContact CE1-O 3.17Å; H211-A234 PolarHBondContact NE2-O 2.91Å; H211-D240 PolarHBondContact NE2-O 3.34Å; H211-P242 WeakPolarHBondContact NE2-CD 3.49Å; H211-D245 IonicContact CD2-OD2 2.8Å; H211-D245 PolarHBondContact CD2-OD2 3.34Å |
| 212 | V | 98.4 | Very high | 97.9 | Very high | 10 Ų | 10 | 35 Ų | 35 | 6% | 0.061 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.2 | -49.7 | 179.7 | -179.8 | 0 | 0 | 0 | 0 | 111.3 | C181 R182 T208 P209 L210 V214 R215 T216 | C181-V212 HydrophobicContact CB-CB 4.37Å; C181-V212 HydrophobicContact CB-CG1 4.33Å; R182-V212 HydrophobicContact CB-CG1 3.79Å; R182-V212 HydrophobicContact CG-CG1 4.47Å; T208-V212 PolarHBondContact O-N 3.02Å; P209-V212 PolarHBondContact O-N 2.93Å; L210-V212 VanDerWaalsContact C-N 3.28Å; L210-V212 PolarHBondContact O-N 3.44Å; V212-V214 VanDerWaalsContact C-N 3.26Å; V212-V214 PolarHBondContact O-N 3.33Å; V212-R215 PolarHBondContact O-N 3.34Å; V212-T216 PolarHBondContact O-N 3.07Å; V212-T216 PolarHBondContact O-OG1 3.18Å |
| 213 | A | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.1 | -39.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | C181 P209 L210 T216 G217 H218 C221 A222 L225 | C181-A213 HydrophobicContact CB-CB 4Å; P209-A213 PolarHBondContact O-N 3.06Å; L210-A213 PolarHBondContact O-N 3.28Å; A213-T216 PolarHBondContact O-OG1 3.3Å; A213-G217 PolarHBondContact O-N 2.9Å; A213-H218 PolarHBondContact O-N 3.29Å; A213-C221 HydrophobicContact CB-CB 4.14Å; A213-A222 HydrophobicContact CB-CB 4.09Å; A213-L225 HydrophobicContact CB-CD1 4.42Å |
| 214 | V | 98.1 | Very high | 97.9 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.7 | -52.8 | 177.1 | 168.2 | 0 | 0 | 0 | 0 | 111.3 | L210 H211 V212 T216 G217 A222 P242 D245 A246 I249 M254 L258 | L210-V214 HydrophobicContact CD1-CG2 4.19Å; L210-V214 WeakPolarHBondContact O-CB 3.43Å; L210-V214 VanDerWaalsContact O-CG2 3.25Å; L210-V214 WeakPolarHBondContact O-CG2 3.39Å; L210-V214 PolarHBondContact O-N 2.89Å; H211-V214 PolarHBondContact O-N 3.02Å; V212-V214 VanDerWaalsContact C-N 3.26Å; V212-V214 PolarHBondContact O-N 3.33Å; V214-T216 PolarHBondContact O-N 2.98Å; V214-G217 WeakPolarHBondContact O-CA 3.45Å; V214-G217 PolarHBondContact O-N 3.03Å; V214-A222 HydrophobicContact CG2-CB 4.32Å; V214-P242 WeakPolarHBondContact CG1-O 3.35Å; V214-P242 HydrophobicContact CG2-CB 4.15Å; V214-D245 HydrophobicContact CG1-CB 3.84Å; V214-A246 HydrophobicContact CG1-CB 3.75Å; V214-I249 WeakPolarHBondContact O-CD1 3.23Å; V214-M254 HydrophobicContact CB-CG 4.32Å; V214-M254 HydrophobicContact CB-SD 4.49Å; V214-M254 HydrophobicContact CG1-CG 3.91Å; V214-M254 HydrophobicContact CG2-CE 4.34Å; V214-M254 HydrophobicContact CG2-CG 3.97Å; V214-M254 HydrophobicContact CG2-SD 3.75Å; V214-L258 HydrophobicContact CG1-CD1 4.48Å; V214-L258 HydrophobicContact CG2-CD1 4.24Å |
| 215 | R | 97.1 | Very high | 98 | Very high | 59 Ų | 59 | 29.8 Ų | 29.8 | 22% | 0.223 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.5 | -32.1 | 179.5 | -69.7 | 176.8 | -155.8 | 148.4 | -1 | 112.7 | S207 H211 V212 D236 D245 | S207-R215 PolarHBondContact OG-NH1 3.36Å; S207-R215 PolarHBondContact OG-NH2 2.99Å; H211-R215 WeakPolarHBondContact O-CB 3.38Å; H211-R215 VanDerWaalsContact O-CG 3.29Å; H211-R215 WeakPolarHBondContact O-CG 3.34Å; H211-R215 PolarHBondContact O-N 3.22Å; V212-R215 PolarHBondContact O-N 3.34Å; R215-D236 IonicContact CZ-OD2 3.52Å; R215-D236 IonicContact NH2-OD2 2.75Å; R215-D236 PolarHBondContact NH2-OD2 3.38Å; R215-D245 HydrophobicContact CG-CB 3.86Å; R215-D245 VanDerWaalsContact CG-CG 3.46Å; R215-D245 WeakPolarHBondContact CG-OD2 3.25Å; R215-D245 IonicContact CZ-OD2 3.43Å; R215-D245 IonicContact NE-OD1 2.65Å; R215-D245 PolarHBondContact NE-OD1 3.21Å; R215-D245 IonicContact NE-OD2 3.15Å; R215-D245 PolarHBondContact NE-OD2 3.33Å; R215-D245 IonicContact NH2-OD2 3Å |
| 216 | T | 96.4 | Very high | 98 | Very high | 33 Ų | 33 | 26.8 Ų | 26.8 | 20% | 0.202 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -89.1 | -5.8 | 175.4 | 52 | 0 | 0 | 0 | 0 | 114.3 | C181 R182 V212 A213 V214 H218 | C181-T216 PolarHBondContact O-OG1 3.43Å; R182-T216 HydrophobicContact CG-CG2 4.21Å; V212-T216 PolarHBondContact O-N 3.07Å; V212-T216 PolarHBondContact O-OG1 3.18Å; A213-T216 PolarHBondContact O-OG1 3.3Å; V214-T216 PolarHBondContact O-N 2.98Å; T216-H218 PolarHBondContact OG1-CD2 3.05Å |
| 217 | G | 96.1 | Very high | 97.9 | Very high | 20 Ų | 20 | 27.9 Ų | 27.9 | 21% | 0.206 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.2 | 14.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | A213 V214 C219 | A213-G217 PolarHBondContact O-N 2.9Å; V214-G217 WeakPolarHBondContact O-CA 3.45Å; V214-G217 PolarHBondContact O-N 3.03Å; G217-C219 PolarHBondContact O-N 3.23Å |
| 218 | H | 97.8 | Very high | 97.9 | Very high | 60 Ų | 60 | 30.3 Ų | 30.3 | 28% | 0.278 | 16% | 0.155 | S | C | . | . | trans | -84.2 | 81.5 | -175.7 | -64.6 | -47.8 | 0 | 0 | 0 | 110.9 | C181 R182 G184 A213 T216 E220 C221 A222 | C181-H218 PolarHBondContact O-CD2 3.04Å; R182-H218 PolarHBondContact O-CD2 3.49Å; R182-H218 PolarHBondContact O-NE2 3.21Å; G184-H218 WeakPolarHBondContact CA-CD2 3.4Å; G184-H218 PolarHBondContact N-CD2 2.91Å; G184-H218 PolarHBondContact N-NE2 3.2Å; A213-H218 PolarHBondContact O-N 3.29Å; T216-H218 PolarHBondContact OG1-CD2 3.05Å; H218-E220 VanDerWaalsContact C-N 3.33Å; H218-E220 PolarHBondContact O-N 2.9Å; H218-C221 HydrophobicContact CB-CB 4.27Å; H218-C221 PolarHBondContact O-N 3.24Å; H218-A222 PolarHBondContact O-N 2.99Å | ||
| 219 | C | 97 | Very high | 97.8 | Very high | 17 Ų | 17 | 32.4 Ų | 32.4 | 12% | 0.115 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -57.6 | -40.7 | -172.7 | -62.3 | 0 | 0 | 0 | 0 | 113.2 | G217 A222 E223 K253 M254 | G217-C219 PolarHBondContact O-N 3.23Å; C219-A222 PolarHBondContact O-N 2.95Å; C219-E223 VanDerWaalsContact O-CB 3.3Å; C219-E223 WeakPolarHBondContact O-CB 3.44Å; C219-E223 PolarHBondContact O-N 3.45Å; C219-K253 HydrophobicContact CB-CD 4.45Å; C219-M254 HydrophobicContact CB-CE 4.24Å |
| 220 | E | 98.1 | Very high | 97.7 | Very high | 121 Ų | 121 | 33 Ų | 33 | 57% | 0.565 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -65.8 | -40.9 | -177.6 | -65.6 | 170.8 | -177.1 | 0 | 0 | 111.8 | L186 H218 H224 | L186-E220 HydrophobicContact CD2-CB 4.34Å; H218-E220 VanDerWaalsContact C-N 3.33Å; H218-E220 PolarHBondContact O-N 2.9Å; E220-H224 WeakPolarHBondContact O-CB 3.35Å; E220-H224 PolarHBondContact O-N 3.27Å |
| 221 | C | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.8 | -44 | 173.7 | -70.8 | 0 | 0 | 0 | 0 | 111.3 | L189 A213 H218 H224 L225 | L189-C221 HydrophobicContact CD2-CB 3.87Å; A213-C221 HydrophobicContact CB-CB 4.14Å; H218-C221 HydrophobicContact CB-CB 4.27Å; H218-C221 PolarHBondContact O-N 3.24Å; C221-H224 PolarHBondContact O-N 3.12Å; C221-L225 VanDerWaalsContact O-CG 3.3Å; C221-L225 WeakPolarHBondContact O-CG 3.26Å; C221-L225 PolarHBondContact O-N 2.92Å |
| 222 | A | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.9 | -46 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | L210 A213 V214 H218 C219 H224 L225 I226 M254 L257 | L210-A222 HydrophobicContact CD1-CB 3.8Å; A213-A222 HydrophobicContact CB-CB 4.09Å; V214-A222 HydrophobicContact CG2-CB 4.32Å; H218-A222 PolarHBondContact O-N 2.99Å; C219-A222 PolarHBondContact O-N 2.95Å; A222-H224 PolarHBondContact O-N 2.79Å; A222-L225 PolarHBondContact O-N 3.14Å; A222-I226 WeakPolarHBondContact O-CD1 3.5Å; A222-I226 VanDerWaalsContact O-CG1 3.27Å; A222-I226 WeakPolarHBondContact O-CG1 3.32Å; A222-I226 PolarHBondContact O-N 2.84Å; A222-M254 HydrophobicContact CB-CE 4Å; A222-M254 HydrophobicContact CB-SD 3.75Å; A222-L257 HydrophobicContact CB-CD2 3.99Å |
| 223 | E | 98.3 | Very high | 97.5 | Very high | 73 Ų | 73 | 39.8 Ų | 39.8 | 34% | 0.341 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -59.2 | -47.9 | 176.9 | -175.1 | 161.9 | -146.3 | 0 | 0 | 111.4 | C219 L225 I226 H227 L257 Y261 | C219-E223 VanDerWaalsContact O-CB 3.3Å; C219-E223 WeakPolarHBondContact O-CB 3.44Å; C219-E223 PolarHBondContact O-N 3.45Å; E223-L225 PolarHBondContact O-N 3.36Å; E223-I226 PolarHBondContact O-N 2.97Å; E223-H227 VanDerWaalsContact CG-CE1 3.48Å; E223-H227 WeakPolarHBondContact CG-CE1 3.35Å; E223-H227 PolarHBondContact O-N 2.95Å; E223-H227 PolarHBondContact O-ND1 3.02Å; E223-H227 IonicContact OE1-CE1 3.21Å; E223-L257 HydrophobicContact CB-CD1 3.83Å; E223-L257 HydrophobicContact CB-CD2 4.22Å; E223-L257 HydrophobicContact CG-CD1 4.02Å; E223-Y261 HydrophobicContact CG-CE2 4.22Å; E223-Y261 PolarHBondContact OE1-OH 3.2Å |
| 224 | H | 98.5 | Very high | 97.5 | Very high | 41 Ų | 41 | 40 Ų | 40 | 19% | 0.19 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.8 | -43.9 | 178.9 | -170.7 | 67.7 | 0 | 0 | 0 | 112.3 | L186 Q190 E220 C221 A222 I226 H227 C228 | L186-H224 HydrophobicContact CD1-CB 3.53Å; Q190-H224 WeakPolarHBondContact CG-NE2 2.97Å; E220-H224 WeakPolarHBondContact O-CB 3.35Å; E220-H224 PolarHBondContact O-N 3.27Å; C221-H224 PolarHBondContact O-N 3.12Å; A222-H224 PolarHBondContact O-N 2.79Å; H224-I226 VanDerWaalsContact C-N 3.32Å; H224-I226 PolarHBondContact O-N 3.3Å; H224-H227 WeakPolarHBondContact O-CB 3.39Å; H224-H227 PolarHBondContact O-N 2.88Å; H224-H227 VanDerWaalsContact O-N 3.16Å; H224-C228 PolarHBondContact O-N 3.37Å; H224-C228 PolarHBondContact O-SG 2.96Å |
| 225 | L | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.6 | -43.4 | 175.5 | -75.2 | 172.3 | 0 | 0 | 0 | 112.3 | L189 L193 F199 P209 L210 A213 C221 A222 E223 H227 C228 G229 A230 | L189-L225 HydrophobicContact CD1-CD2 4.13Å; L189-L225 HydrophobicContact CD2-CD2 4.35Å; L189-L225 HydrophobicContact CD2-CG 4.07Å; L193-L225 HydrophobicContact CD1-CD2 4.44Å; F199-L225 HydrophobicContact CB-CD2 3.68Å; P209-L225 HydrophobicContact CB-CD1 3.97Å; P209-L225 HydrophobicContact CB-CD2 4.36Å; L210-L225 HydrophobicContact CB-CD1 4.1Å; L210-L225 HydrophobicContact CD1-CB 4.4Å; L210-L225 HydrophobicContact CD1-CD1 4.42Å; A213-L225 HydrophobicContact CB-CD1 4.42Å; C221-L225 VanDerWaalsContact O-CG 3.3Å; C221-L225 WeakPolarHBondContact O-CG 3.26Å; C221-L225 PolarHBondContact O-N 2.92Å; A222-L225 PolarHBondContact O-N 3.14Å; E223-L225 PolarHBondContact O-N 3.36Å; L225-H227 VanDerWaalsContact C-N 3.32Å; L225-H227 PolarHBondContact O-N 3.27Å; L225-C228 CarbonylContact O-C 3.56Å; L225-C228 WeakPolarHBondContact O-CB 3.21Å; L225-C228 PolarHBondContact O-N 3.38Å; L225-G229 PolarHBondContact O-N 3.48Å; L225-A230 HydrophobicContact CB-CB 3.96Å; L225-A230 WeakPolarHBondContact O-CB 3.45Å; L225-A230 PolarHBondContact O-N 2.9Å |
| 226 | I | 97.8 | Very high | 97.5 | Very high | 21 Ų | 21 | 42.9 Ų | 42.9 | 11% | 0.108 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.5 | -41.3 | 177.2 | -68.3 | 164.3 | 0 | 0 | 0 | 110.6 | L210 A222 E223 H224 C228 G229 L257 L258 Y261 | L210-I226 HydrophobicContact CD1-CD1 4.2Å; L210-I226 HydrophobicContact CD1-CG1 4.02Å; L210-I226 HydrophobicContact CD2-CG1 4.01Å; A222-I226 WeakPolarHBondContact O-CD1 3.5Å; A222-I226 VanDerWaalsContact O-CG1 3.27Å; A222-I226 WeakPolarHBondContact O-CG1 3.32Å; A222-I226 PolarHBondContact O-N 2.84Å; E223-I226 PolarHBondContact O-N 2.97Å; H224-I226 VanDerWaalsContact C-N 3.32Å; H224-I226 PolarHBondContact O-N 3.3Å; I226-C228 VanDerWaalsContact C-N 3.27Å; I226-C228 PolarHBondContact O-N 3.17Å; I226-G229 WeakPolarHBondContact O-CA 3.13Å; I226-G229 PolarHBondContact O-N 3.27Å; I226-L257 HydrophobicContact CD1-CD2 4.11Å; I226-L258 HydrophobicContact CD1-CD2 4Å; I226-Y261 HydrophobicContact CD1-CD2 4.16Å; I226-Y261 HydrophobicContact CD1-CG 4.48Å; I226-Y261 HydrophobicContact CG2-CD1 3.81Å; I226-Y261 HydrophobicContact CG2-CD2 4.13Å; I226-Y261 HydrophobicContact CG2-CG 3.57Å |
| 227 | H | 97.3 | Very high | 97.6 | Very high | 119 Ų | 119 | 49 Ų | 49 | 55% | 0.551 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -64.1 | -33 | 175.3 | -74.4 | 54.2 | 0 | 0 | 0 | 112.5 | E223 H224 L225 G229 Y261 | E223-H227 VanDerWaalsContact CG-CE1 3.48Å; E223-H227 WeakPolarHBondContact CG-CE1 3.35Å; E223-H227 PolarHBondContact O-N 2.95Å; E223-H227 PolarHBondContact O-ND1 3.02Å; E223-H227 IonicContact OE1-CE1 3.21Å; H224-H227 WeakPolarHBondContact O-CB 3.39Å; H224-H227 PolarHBondContact O-N 2.88Å; H224-H227 VanDerWaalsContact O-N 3.16Å; L225-H227 VanDerWaalsContact C-N 3.32Å; L225-H227 PolarHBondContact O-N 3.27Å; H227-G229 PolarHBondContact O-N 3.28Å; H227-Y261 AromaticContact CE1-CE1 3.67Å; H227-Y261 AromaticContact CE1-CZ 3.47Å; H227-Y261 VanDerWaalsContact CE1-CZ 3.47Å; H227-Y261 PolarHBondContact CE1-OH 3.48Å |
| 228 | C | 96.8 | Very high | 97.6 | Very high | 51 Ų | 51 | 52.5 Ų | 52.5 | 35% | 0.345 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -2.9 | 171.9 | -63.8 | 0 | 0 | 0 | 0 | 113.4 | F199 H224 L225 I226 | F199-C228 HydrophobicContact CD1-CB 4.34Å; F199-C228 HydrophobicContact CE1-CB 4.25Å; F199-C228 WeakPolarHBondContact CE1-O 3.48Å; F199-C228 WeakPolarHBondContact CZ-O 3.2Å; H224-C228 PolarHBondContact O-N 3.37Å; H224-C228 PolarHBondContact O-SG 2.96Å; L225-C228 CarbonylContact O-C 3.56Å; L225-C228 WeakPolarHBondContact O-CB 3.21Å; L225-C228 PolarHBondContact O-N 3.38Å; I226-C228 VanDerWaalsContact C-N 3.27Å; I226-C228 PolarHBondContact O-N 3.17Å |
| 229 | G | 96.8 | Very high | 97.6 | Very high | 54 Ų | 54 | 49.8 Ų | 49.8 | 56% | 0.557 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.2 | 21.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | L225 I226 H227 D231 | L225-G229 PolarHBondContact O-N 3.48Å; I226-G229 WeakPolarHBondContact O-CA 3.13Å; I226-G229 PolarHBondContact O-N 3.27Å; H227-G229 PolarHBondContact O-N 3.28Å; G229-D231 PolarHBondContact O-N 3.4Å |
| 230 | A | 97.6 | Very high | 97.6 | Very high | 11 Ų | 11 | 49.2 Ų | 49.2 | 9% | 0.091 | 25% | 0.251 | C | S | . | . | trans | -61.9 | 134.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | F199 L210 L225 A232 | F199-A230 HydrophobicContact CD2-CB 3.98Å; F199-A230 HydrophobicContact CE2-CB 4.29Å; L210-A230 HydrophobicContact CB-CB 4.44Å; L210-A230 HydrophobicContact CD2-CB 4.2Å; L225-A230 HydrophobicContact CB-CB 3.96Å; L225-A230 WeakPolarHBondContact O-CB 3.45Å; L225-A230 PolarHBondContact O-N 2.9Å; A230-A232 PolarHBondContact O-N 3.13Å; A230-A232 VanDerWaalsContact O-N 3.12Å | ||
| 231 | D | 97.2 | Very high | 97.6 | Very high | 93 Ų | 93 | 43.5 Ų | 43.5 | 50% | 0.497 | 22% | 0.224 | S | C | . | . | trans | -69.9 | 107.6 | 178.4 | 176.8 | 14.1 | 0 | 0 | 0 | 110.9 | G229 N233 A234 | G229-D231 PolarHBondContact O-N 3.4Å; D231-N233 PolarHBondContact O-N 3.38Å; D231-N233 WeakPolarHBondContact OD1-CA 3.3Å; D231-N233 WeakPolarHBondContact OD1-CB 3.24Å; D231-N233 PolarHBondContact OD1-N 3.38Å; D231-A234 HydrophobicContact CB-CB 4.11Å; D231-A234 VanDerWaalsContact CG-N 3.3Å; D231-A234 VanDerWaalsContact O-CB 3.3Å; D231-A234 WeakPolarHBondContact O-CB 3.28Å; D231-A234 PolarHBondContact O-N 3Å; D231-A234 PolarHBondContact OD1-N 3.07Å; D231-A234 WeakPolarHBondContact OD2-CA 3.44Å; D231-A234 PolarHBondContact OD2-N 3.17Å | ||
| 232 | A | 96.7 | Very high | 97.6 | Very high | 8 Ų | 8 | 43.5 Ų | 43.5 | 7% | 0.066 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -10 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | L210 A230 P242 A263 | L210-A232 HydrophobicContact CD2-CB 4.47Å; A230-A232 PolarHBondContact O-N 3.13Å; A230-A232 VanDerWaalsContact O-N 3.12Å; A232-P242 WeakPolarHBondContact O-CD 3.36Å; A232-A263 HydrophobicContact CB-CB 4.16Å |
| 233 | N | 96.8 | Very high | 97.5 | Very high | 54 Ų | 54 | 43.5 Ų | 43.5 | 29% | 0.289 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.8 | 8.8 | 176.7 | -63.7 | -60.7 | 0 | 0 | 0 | 112.9 | D231 R235 S264 | D231-N233 PolarHBondContact O-N 3.38Å; D231-N233 WeakPolarHBondContact OD1-CA 3.3Å; D231-N233 WeakPolarHBondContact OD1-CB 3.24Å; D231-N233 PolarHBondContact OD1-N 3.38Å; N233-R235 PolarHBondContact O-N 3.14Å; N233-S264 WeakPolarHBondContact OD1-CB 3.43Å; N233-S264 PolarHBondContact OD1-N 3.36Å |
| 234 | A | 97.4 | Very high | 97.5 | Very high | 4 Ų | 4 | 40 Ų | 40 | 3% | 0.033 | 21% | 0.208 | C | C | . | . | trans | -54.4 | 139.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | T208 H211 D231 T241 P242 | T208-A234 HydrophobicContact CG2-CB 4.02Å; H211-A234 PolarHBondContact CE1-O 3.17Å; H211-A234 PolarHBondContact NE2-O 2.91Å; D231-A234 HydrophobicContact CB-CB 4.11Å; D231-A234 VanDerWaalsContact CG-N 3.3Å; D231-A234 VanDerWaalsContact O-CB 3.3Å; D231-A234 WeakPolarHBondContact O-CB 3.28Å; D231-A234 PolarHBondContact O-N 3Å; D231-A234 PolarHBondContact OD1-N 3.07Å; D231-A234 WeakPolarHBondContact OD2-CA 3.44Å; D231-A234 PolarHBondContact OD2-N 3.17Å; A234-T241 WeakPolarHBondContact O-CA 3.45Å; A234-P242 WeakPolarHBondContact O-CD 3.37Å | ||
| 235 | R | 97.6 | Very high | 97.4 | Very high | 107 Ų | 107 | 38.4 Ų | 38.4 | 40% | 0.404 | 20% | 0.201 | S | C | . | . | trans | -100.3 | 131.6 | 178 | -64.3 | 174.9 | 71.2 | 114.2 | 4.7 | 110.3 | R202 N233 D240 T241 K268 | R202-R235 PolarHBondContact NH1-O 3.41Å; N233-R235 PolarHBondContact O-N 3.14Å; R235-D240 WeakPolarHBondContact CA-O 3.42Å; R235-T241 HydrophobicContact CG-CG2 4.38Å; R235-K268 PolarHBondContact NH1-O 2.81Å; R235-K268 PolarHBondContact NH2-O 3.46Å | ||
| 236 | D | 98 | Very high | 97.3 | Very high | 14 Ų | 14 | 38.4 Ų | 38.4 | 8% | 0.075 | 20% | 0.201 | C | C | . | . | trans | -82.5 | -169.7 | 167.7 | 77.6 | 8.8 | 0 | 0 | 0 | 111.7 | L205 Q206 R215 D238 G239 D240 | L205-D236 WeakPolarHBondContact O-CB 3.43Å; Q206-D236 WeakPolarHBondContact O-CA 3.31Å; R215-D236 IonicContact CZ-OD2 3.52Å; R215-D236 IonicContact NH2-OD2 2.75Å; R215-D236 PolarHBondContact NH2-OD2 3.38Å; D236-D238 VanDerWaalsContact C-N 3.25Å; D236-D238 PolarHBondContact O-N 3.11Å; D236-D238 PolarHBondContact OD1-N 3.13Å; D236-G239 PolarHBondContact O-N 3.45Å; D236-G239 PolarHBondContact OD1-N 3.48Å; D236-D240 PolarHBondContact N-O 3.34Å; D236-D240 WeakPolarHBondContact OD1-CB 3.45Å; D236-D240 PolarHBondContact OD1-N 3.43Å | ||
| 237 | R | 98.1 | Very high | 97.1 | Very high | 161 Ų | 161 | 38.1 Ų | 38.1 | 61% | 0.608 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -32.7 | -175.6 | 179.7 | 177 | -175.6 | -178.9 | -0.7 | 112.6 | L205 Q206 G239 | L205-R237 WeakPolarHBondContact O-CB 3.31Å; L205-R237 PolarHBondContact O-N 3.2Å; Q206-R237 HydrophobicContact CB-CB 4.19Å; Q206-R237 HydrophobicContact CG-CB 4.27Å; R237-G239 PolarHBondContact O-N 3.29Å |
| 238 | D | 96.8 | Very high | 96.9 | Very high | 93 Ų | 93 | 38 Ų | 38 | 50% | 0.497 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 7.7 | 179.5 | -59.9 | -36 | 0 | 0 | 0 | 111 | D236 D240 S270 | D236-D238 VanDerWaalsContact C-N 3.25Å; D236-D238 PolarHBondContact O-N 3.11Å; D236-D238 PolarHBondContact OD1-N 3.13Å; D238-D240 PolarHBondContact O-N 2.89Å; D238-S270 VanDerWaalsContact C-OG 3.23Å; D238-S270 WeakPolarHBondContact O-CB 3.38Å; D238-S270 PolarHBondContact O-N 2.83Å; D238-S270 PolarHBondContact O-OG 3.39Å |
| 239 | G | 97.3 | Very high | 96.5 | Very high | 3 Ų | 3 | 38.1 Ų | 38.1 | 3% | 0.031 | 19% | 0.192 | C | C | . | . | S | Bend | trans | 72.5 | 5.9 | -177 | 0 | 0 | 0 | 0 | 0 | 113 | D236 R237 N269 S270 | D236-G239 PolarHBondContact O-N 3.45Å; D236-G239 PolarHBondContact OD1-N 3.48Å; R237-G239 PolarHBondContact O-N 3.29Å; G239-N269 WeakPolarHBondContact O-CA 3.33Å; G239-S270 PolarHBondContact N-OG 2.84Å |
| 240 | D | 97.6 | Very high | 96.3 | Very high | 6 Ų | 6 | 39.8 Ų | 39.8 | 3% | 0.032 | 19% | 0.188 | C | C | . | . | trans | -69.6 | 144.6 | 177.8 | -78.1 | -23.5 | 0 | 0 | 0 | 109.5 | H211 R235 D236 D238 H244 R248 N269 | H211-D240 PolarHBondContact NE2-O 3.34Å; R235-D240 WeakPolarHBondContact CA-O 3.42Å; D236-D240 PolarHBondContact N-O 3.34Å; D236-D240 WeakPolarHBondContact OD1-CB 3.45Å; D236-D240 PolarHBondContact OD1-N 3.43Å; D238-D240 PolarHBondContact O-N 2.89Å; D240-H244 HydrophobicContact CB-CB 3.8Å; D240-H244 IonicContact OD1-CD2 2.8Å; D240-H244 IonicContact OD1-CG 3.55Å; D240-R248 IonicContact OD1-NH2 3.47Å; D240-R248 PolarHBondContact OD1-NH2 2.9Å; D240-R248 IonicContact OD2-CZ 3.94Å; D240-R248 IonicContact OD2-NH1 2.66Å; D240-R248 PolarHBondContact OD2-NH1 3.24Å; D240-R248 IonicContact OD2-NH2 3.95Å; D240-R248 PolarHBondContact OD2-NH2 3.47Å; D240-N269 WeakPolarHBondContact OD1-CB 3.31Å; D240-N269 PolarHBondContact OD1-ND2 3.18Å | ||
| 241 | T | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | trans | -98.8 | 166.2 | 170.1 | 66.8 | 0 | 0 | 0 | 0 | 109.6 | A234 R235 M243 H244 D245 T267 | A234-T241 WeakPolarHBondContact O-CA 3.45Å; R235-T241 HydrophobicContact CG-CG2 4.38Å; T241-M243 PolarHBondContact O-N 3.39Å; T241-M243 PolarHBondContact OG1-N 3.44Å; T241-H244 PolarHBondContact N-ND1 2.87Å; T241-H244 VanDerWaalsContact N-ND1 3.11Å; T241-H244 WeakPolarHBondContact O-CB 3.46Å; T241-H244 PolarHBondContact O-N 3Å; T241-H244 PolarHBondContact OG1-ND1 2.91Å; T241-D245 PolarHBondContact O-N 3.26Å; T241-T267 HydrophobicContact CG2-CG2 3.68Å | ||
| 242 | P | 97.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -49.3 | -32.7 | 169.7 | -30.4 | 36.6 | 0 | 0 | 0 | 113.5 | L210 H211 V214 A232 A234 D245 A246 L258 | L210-P242 HydrophobicContact CD2-CB 4.45Å; L210-P242 HydrophobicContact CD2-CG 3.95Å; L210-P242 HydrophobicContact CG-CB 4.35Å; L210-P242 HydrophobicContact CG-CG 4.04Å; H211-P242 WeakPolarHBondContact NE2-CD 3.49Å; V214-P242 WeakPolarHBondContact CG1-O 3.35Å; V214-P242 HydrophobicContact CG2-CB 4.15Å; A232-P242 WeakPolarHBondContact O-CD 3.36Å; A234-P242 WeakPolarHBondContact O-CD 3.37Å; P242-D245 PolarHBondContact O-N 3.43Å; P242-A246 WeakPolarHBondContact O-CB 3.25Å; P242-A246 PolarHBondContact O-N 3.31Å; P242-L258 HydrophobicContact CB-CD1 4.08Å; P242-L258 HydrophobicContact CB-CD2 4.04Å; P242-L258 WeakPolarHBondContact O-CD1 3.37Å |
| 243 | M | 97.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.7 | -40.1 | 175.4 | -171.8 | 65.6 | 78.9 | 0 | 0 | 113 | T241 D245 A246 V247 I255 L258 M259 A263 L265 P275 | T241-M243 PolarHBondContact O-N 3.39Å; T241-M243 PolarHBondContact OG1-N 3.44Å; M243-D245 VanDerWaalsContact C-N 3.32Å; M243-D245 PolarHBondContact O-N 3.33Å; M243-A246 PolarHBondContact O-N 3.01Å; M243-V247 HydrophobicContact CG-CG2 4.44Å; M243-V247 WeakPolarHBondContact O-CB 3.31Å; M243-V247 VanDerWaalsContact O-CG2 3.28Å; M243-V247 WeakPolarHBondContact O-CG2 3.38Å; M243-V247 PolarHBondContact O-N 3Å; M243-V247 HydrophobicContact SD-CG2 4.37Å; M243-I255 HydrophobicContact SD-CG2 4.01Å; M243-L258 HydrophobicContact CE-CB 3.69Å; M243-L258 HydrophobicContact SD-CB 4.34Å; M243-L258 HydrophobicContact SD-CD1 4.48Å; M243-M259 HydrophobicContact CE-CG 3.67Å; M243-A263 HydrophobicContact CE-CB 3.71Å; M243-L265 HydrophobicContact CE-CD2 3.66Å; M243-L265 HydrophobicContact CG-CD2 3.93Å; M243-L265 HydrophobicContact SD-CD2 3.97Å; M243-P275 HydrophobicContact CB-CB 4.43Å; M243-P275 HydrophobicContact CB-CG 3.95Å; M243-P275 HydrophobicContact CG-CB 3.76Å; M243-P275 HydrophobicContact CG-CG 3.64Å |
| 244 | H | 97.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.5 | -46.7 | 175 | -69.4 | 82.4 | 0 | 0 | 0 | 110.4 | D240 T241 V247 R248 T267 K273 P275 | D240-H244 HydrophobicContact CB-CB 3.8Å; D240-H244 IonicContact OD1-CD2 2.8Å; D240-H244 IonicContact OD1-CG 3.55Å; T241-H244 PolarHBondContact N-ND1 2.87Å; T241-H244 VanDerWaalsContact N-ND1 3.11Å; T241-H244 WeakPolarHBondContact O-CB 3.46Å; T241-H244 PolarHBondContact O-N 3Å; T241-H244 PolarHBondContact OG1-ND1 2.91Å; H244-V247 PolarHBondContact O-N 3.29Å; H244-R248 WeakPolarHBondContact O-CB 3.34Å; H244-R248 PolarHBondContact O-N 3.35Å; H244-T267 PolarHBondContact CE1-O 2.87Å; H244-T267 PolarHBondContact NE2-O 3.13Å; H244-K273 PolarHBondContact NE2-O 2.91Å; H244-K273 VanDerWaalsContact NE2-O 3.08Å; H244-P275 WeakPolarHBondContact NE2-CD 3.42Å |
| 245 | D | 96.3 | Very high | 95.6 | Very high | 8 Ų | 8 | 53.5 Ų | 53.5 | 4% | 0.043 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.2 | -51.5 | 176.4 | -80.6 | -31.5 | 0 | 0 | 0 | 111.5 | H211 V214 R215 T241 P242 M243 V247 R248 I249 | H211-D245 IonicContact CD2-OD2 2.8Å; H211-D245 PolarHBondContact CD2-OD2 3.34Å; V214-D245 HydrophobicContact CG1-CB 3.84Å; R215-D245 HydrophobicContact CG-CB 3.86Å; R215-D245 VanDerWaalsContact CG-CG 3.46Å; R215-D245 WeakPolarHBondContact CG-OD2 3.25Å; R215-D245 IonicContact CZ-OD2 3.43Å; R215-D245 IonicContact NE-OD1 2.65Å; R215-D245 PolarHBondContact NE-OD1 3.21Å; R215-D245 IonicContact NE-OD2 3.15Å; R215-D245 PolarHBondContact NE-OD2 3.33Å; R215-D245 IonicContact NH2-OD2 3Å; T241-D245 PolarHBondContact O-N 3.26Å; P242-D245 PolarHBondContact O-N 3.43Å; M243-D245 VanDerWaalsContact C-N 3.32Å; M243-D245 PolarHBondContact O-N 3.33Å; D245-V247 VanDerWaalsContact C-N 3.28Å; D245-V247 PolarHBondContact O-N 3.03Å; D245-R248 PolarHBondContact O-N 3.42Å; D245-R248 IonicContact OD1-NH1 3.34Å; D245-R248 PolarHBondContact OD1-NH1 3.27Å; D245-I249 VanDerWaalsContact O-CG1 3.26Å; D245-I249 WeakPolarHBondContact O-CG1 3.26Å; D245-I249 PolarHBondContact O-N 3.07Å |
| 246 | A | 96.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.3 | -38.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | V214 P242 M243 I249 N250 R251 M254 I255 L258 | V214-A246 HydrophobicContact CG1-CB 3.75Å; P242-A246 WeakPolarHBondContact O-CB 3.25Å; P242-A246 PolarHBondContact O-N 3.31Å; M243-A246 PolarHBondContact O-N 3.01Å; A246-I249 VanDerWaalsContact O-CG1 3.32Å; A246-I249 WeakPolarHBondContact O-CG1 3.48Å; A246-N250 PolarHBondContact O-N 3.49Å; A246-R251 PolarHBondContact O-N 3.29Å; A246-R251 VanDerWaalsContact O-N 3.14Å; A246-M254 HydrophobicContact CB-CB 4.29Å; A246-M254 HydrophobicContact CB-CG 3.95Å; A246-I255 HydrophobicContact CB-CG1 3.86Å; A246-L258 HydrophobicContact CB-CD1 3.69Å |
| 247 | V | 95.1 | Very high | 95.5 | Very high | 15 Ų | 15 | 57.1 Ų | 57.1 | 9% | 0.091 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -70.6 | -45.3 | 176.9 | 171.5 | 0 | 0 | 0 | 0 | 111.1 | M243 H244 D245 I249 N250 I255 P275 L279 | M243-V247 HydrophobicContact CG-CG2 4.44Å; M243-V247 WeakPolarHBondContact O-CB 3.31Å; M243-V247 VanDerWaalsContact O-CG2 3.28Å; M243-V247 WeakPolarHBondContact O-CG2 3.38Å; M243-V247 PolarHBondContact O-N 3Å; M243-V247 HydrophobicContact SD-CG2 4.37Å; H244-V247 PolarHBondContact O-N 3.29Å; D245-V247 VanDerWaalsContact C-N 3.28Å; D245-V247 PolarHBondContact O-N 3.03Å; V247-I249 VanDerWaalsContact C-N 3.31Å; V247-I249 PolarHBondContact O-N 2.86Å; V247-N250 PolarHBondContact O-N 3.23Å; V247-I255 HydrophobicContact CG2-CD1 3.97Å; V247-I255 HydrophobicContact CG2-CG1 4.14Å; V247-P275 HydrophobicContact CB-CB 4.42Å; V247-P275 WeakPolarHBondContact CG1-O 3.43Å; V247-P275 HydrophobicContact CG2-CB 3.98Å; V247-L279 HydrophobicContact CG1-CB 3.58Å; V247-L279 HydrophobicContact CG1-CD1 4.16Å; V247-L279 HydrophobicContact CG1-CD2 4.27Å; V247-L279 HydrophobicContact CG1-CG 4.21Å |
| 248 | R | 91.4 | Very high | 95.5 | Very high | 115 Ų | 115 | 49.5 Ų | 49.5 | 43% | 0.434 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -59.7 | -39.4 | 179.1 | -176.9 | -178.8 | -61.6 | 123.2 | -0.3 | 112.9 | D240 H244 D245 N250 | D240-R248 IonicContact OD1-NH2 3.47Å; D240-R248 PolarHBondContact OD1-NH2 2.9Å; D240-R248 IonicContact OD2-CZ 3.94Å; D240-R248 IonicContact OD2-NH1 2.66Å; D240-R248 PolarHBondContact OD2-NH1 3.24Å; D240-R248 IonicContact OD2-NH2 3.95Å; D240-R248 PolarHBondContact OD2-NH2 3.47Å; H244-R248 WeakPolarHBondContact O-CB 3.34Å; H244-R248 PolarHBondContact O-N 3.35Å; D245-R248 PolarHBondContact O-N 3.42Å; D245-R248 IonicContact OD1-NH1 3.34Å; D245-R248 PolarHBondContact OD1-NH1 3.27Å; R248-N250 VanDerWaalsContact C-N 3.26Å; R248-N250 PolarHBondContact O-N 2.7Å |
| 249 | I | 90 | Very high | 95.4 | Very high | 54 Ų | 54 | 49.9 Ų | 49.9 | 28% | 0.277 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -0.2 | 177.3 | 65.5 | 178.1 | 0 | 0 | 0 | 113.5 | V214 D245 A246 V247 R251 | V214-I249 WeakPolarHBondContact O-CD1 3.23Å; D245-I249 VanDerWaalsContact O-CG1 3.26Å; D245-I249 WeakPolarHBondContact O-CG1 3.26Å; D245-I249 PolarHBondContact O-N 3.07Å; A246-I249 VanDerWaalsContact O-CG1 3.32Å; A246-I249 WeakPolarHBondContact O-CG1 3.48Å; V247-I249 VanDerWaalsContact C-N 3.31Å; V247-I249 PolarHBondContact O-N 2.86Å; I249-R251 HydrophobicContact CB-CG 4.23Å; I249-R251 HydrophobicContact CD1-CB 4.02Å; I249-R251 HydrophobicContact CD1-CG 3.44Å; I249-R251 VanDerWaalsContact CD1-CG 3.44Å; I249-R251 HydrophobicContact CG1-CB 3.97Å; I249-R251 HydrophobicContact CG1-CG 3.47Å; I249-R251 VanDerWaalsContact CG1-CG 3.47Å; I249-R251 PolarHBondContact O-N 3.27Å |
| 250 | N | 90.9 | Very high | 95.4 | Very high | 90 Ų | 90 | 56.8 Ų | 56.8 | 48% | 0.481 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 46.7 | -180 | -166.1 | 28.7 | 0 | 0 | 0 | 114 | A246 V247 R248 F252 | A246-N250 PolarHBondContact O-N 3.49Å; V247-N250 PolarHBondContact O-N 3.23Å; R248-N250 VanDerWaalsContact C-N 3.26Å; R248-N250 PolarHBondContact O-N 2.7Å; N250-F252 WeakPolarHBondContact OD1-CZ 3.37Å |
| 251 | R | 89.9 | Confident | 95.2 | Very high | 144 Ų | 144 | 60.2 Ų | 60.2 | 54% | 0.543 | 27% | 0.265 | S | S | . | . | trans | -102.8 | 85.8 | -179.1 | -66.6 | -67.8 | -176.2 | 177.8 | 2.2 | 111.2 | A246 I249 K253 M254 I255 | A246-R251 PolarHBondContact O-N 3.29Å; A246-R251 VanDerWaalsContact O-N 3.14Å; I249-R251 HydrophobicContact CB-CG 4.23Å; I249-R251 HydrophobicContact CD1-CB 4.02Å; I249-R251 HydrophobicContact CD1-CG 3.44Å; I249-R251 VanDerWaalsContact CD1-CG 3.44Å; I249-R251 HydrophobicContact CG1-CB 3.97Å; I249-R251 HydrophobicContact CG1-CG 3.47Å; I249-R251 VanDerWaalsContact CG1-CG 3.47Å; I249-R251 PolarHBondContact O-N 3.27Å; R251-K253 VanDerWaalsContact C-N 3.3Å; R251-K253 PolarHBondContact O-N 3.36Å; R251-K253 VanDerWaalsContact O-N 3.17Å; R251-M254 HydrophobicContact CB-CB 3.84Å; R251-M254 WeakPolarHBondContact O-CA 3.29Å; R251-M254 WeakPolarHBondContact O-CB 3.47Å; R251-M254 PolarHBondContact O-N 3.16Å; R251-I255 WeakPolarHBondContact O-CG1 3.35Å; R251-I255 PolarHBondContact O-N 2.9Å | ||
| 252 | F | 92.9 | Very high | 94.9 | Very high | 140 Ų | 140 | 62.8 Ų | 62.8 | 61% | 0.614 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -52.4 | -40.6 | -177.6 | -59.8 | -67.4 | 0 | 0 | 0 | 114.9 | N250 M254 I255 R256 | N250-F252 WeakPolarHBondContact OD1-CZ 3.37Å; F252-M254 VanDerWaalsContact C-N 3.3Å; F252-M254 PolarHBondContact O-N 3.31Å; F252-I255 PolarHBondContact O-N 3.34Å; F252-R256 WeakPolarHBondContact O-CB 3.47Å; F252-R256 WeakPolarHBondContact O-CG 3.17Å; F252-R256 PolarHBondContact O-N 3.45Å |
| 253 | K | 95.3 | Very high | 94.8 | Very high | 145 Ų | 145 | 63.2 Ų | 63.2 | 63% | 0.63 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -60.9 | -40.8 | 176.4 | -173.6 | 178.4 | 176 | -176.2 | 0 | 111.5 | C219 R251 L257 | C219-K253 HydrophobicContact CB-CD 4.45Å; R251-K253 VanDerWaalsContact C-N 3.3Å; R251-K253 PolarHBondContact O-N 3.36Å; R251-K253 VanDerWaalsContact O-N 3.17Å; K253-L257 WeakPolarHBondContact O-CB 3.27Å; K253-L257 PolarHBondContact O-N 2.99Å |
| 254 | M | 97.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -71 | -41.5 | 178.7 | -168.4 | 64.7 | 76.7 | 0 | 0 | 111.8 | V214 C219 A222 A246 R251 F252 R256 L257 L258 | V214-M254 HydrophobicContact CB-CG 4.32Å; V214-M254 HydrophobicContact CB-SD 4.49Å; V214-M254 HydrophobicContact CG1-CG 3.91Å; V214-M254 HydrophobicContact CG2-CE 4.34Å; V214-M254 HydrophobicContact CG2-CG 3.97Å; V214-M254 HydrophobicContact CG2-SD 3.75Å; C219-M254 HydrophobicContact CB-CE 4.24Å; A222-M254 HydrophobicContact CB-CE 4Å; A222-M254 HydrophobicContact CB-SD 3.75Å; A246-M254 HydrophobicContact CB-CB 4.29Å; A246-M254 HydrophobicContact CB-CG 3.95Å; R251-M254 HydrophobicContact CB-CB 3.84Å; R251-M254 WeakPolarHBondContact O-CA 3.29Å; R251-M254 WeakPolarHBondContact O-CB 3.47Å; R251-M254 PolarHBondContact O-N 3.16Å; F252-M254 VanDerWaalsContact C-N 3.3Å; F252-M254 PolarHBondContact O-N 3.31Å; M254-R256 VanDerWaalsContact C-N 3.34Å; M254-R256 PolarHBondContact O-N 3.29Å; M254-L257 WeakPolarHBondContact O-CB 3.31Å; M254-L257 PolarHBondContact O-N 2.94Å; M254-L257 HydrophobicContact SD-CD2 3.94Å; M254-L258 HydrophobicContact CG-CD1 4.28Å; M254-L258 WeakPolarHBondContact O-CG 3.36Å; M254-L258 PolarHBondContact O-N 3.46Å |
| 255 | I | 96.6 | Very high | 94.4 | Very high | 29 Ų | 29 | 68.6 Ų | 68.6 | 15% | 0.149 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -58.4 | -48.7 | 174.4 | -63.7 | 167.7 | 0 | 0 | 0 | 109.9 | M243 A246 V247 R251 F252 L257 L258 M259 | M243-I255 HydrophobicContact SD-CG2 4.01Å; A246-I255 HydrophobicContact CB-CG1 3.86Å; V247-I255 HydrophobicContact CG2-CD1 3.97Å; V247-I255 HydrophobicContact CG2-CG1 4.14Å; R251-I255 WeakPolarHBondContact O-CG1 3.35Å; R251-I255 PolarHBondContact O-N 2.9Å; F252-I255 PolarHBondContact O-N 3.34Å; I255-L257 PolarHBondContact O-N 2.93Å; I255-L258 PolarHBondContact O-N 3.15Å; I255-M259 HydrophobicContact CG2-CG 4.42Å; I255-M259 HydrophobicContact CG2-SD 4Å; I255-M259 VanDerWaalsContact O-CG 3.29Å; I255-M259 WeakPolarHBondContact O-CG 3.26Å; I255-M259 PolarHBondContact O-N 3.45Å |
| 256 | R | 96.2 | Very high | 94.3 | Very high | 183 Ų | 183 | 72.6 Ų | 72.6 | 69% | 0.691 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -59.2 | -45.5 | 176.9 | -74.5 | -179.1 | 178.6 | -172.7 | 0.2 | 112.1 | F252 M254 M259 M260 | F252-R256 WeakPolarHBondContact O-CB 3.47Å; F252-R256 WeakPolarHBondContact O-CG 3.17Å; F252-R256 PolarHBondContact O-N 3.45Å; M254-R256 VanDerWaalsContact C-N 3.34Å; M254-R256 PolarHBondContact O-N 3.29Å; R256-M259 PolarHBondContact O-N 3.23Å; R256-M260 VanDerWaalsContact O-CG 3.31Å; R256-M260 WeakPolarHBondContact O-CG 3.35Å; R256-M260 PolarHBondContact O-N 2.7Å |
| 257 | L | 97.1 | Very high | 94.3 | Very high | 14 Ų | 14 | 74.2 Ų | 74.2 | 7% | 0.073 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -55.2 | -54.5 | 175.6 | -173.4 | 98.1 | 0 | 0 | 0 | 110.5 | A222 E223 I226 K253 M254 I255 M259 M260 Y261 | A222-L257 HydrophobicContact CB-CD2 3.99Å; E223-L257 HydrophobicContact CB-CD1 3.83Å; E223-L257 HydrophobicContact CB-CD2 4.22Å; E223-L257 HydrophobicContact CG-CD1 4.02Å; I226-L257 HydrophobicContact CD1-CD2 4.11Å; K253-L257 WeakPolarHBondContact O-CB 3.27Å; K253-L257 PolarHBondContact O-N 2.99Å; M254-L257 WeakPolarHBondContact O-CB 3.31Å; M254-L257 PolarHBondContact O-N 2.94Å; M254-L257 HydrophobicContact SD-CD2 3.94Å; I255-L257 PolarHBondContact O-N 2.93Å; L257-M259 VanDerWaalsContact C-N 3.32Å; L257-M259 PolarHBondContact O-N 2.87Å; L257-M260 WeakPolarHBondContact O-CB 3.14Å; L257-M260 PolarHBondContact O-N 2.81Å; L257-M260 VanDerWaalsContact O-N 3.14Å; L257-Y261 HydrophobicContact CD1-CD2 4.45Å; L257-Y261 HydrophobicContact CD1-CE2 3.87Å; L257-Y261 HydrophobicContact CG-CD2 4.03Å; L257-Y261 HydrophobicContact CG-CE2 3.96Å; L257-Y261 WeakPolarHBondContact O-CD2 3.28Å; L257-Y261 PolarHBondContact O-N 3.31Å; L257-Y261 VanDerWaalsContact O-N 3.16Å |
| 258 | L | 97.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 78.7 Ų | 78.7 | 0% | 0 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -61 | -39.6 | -179.2 | -70.2 | 171.7 | 0 | 0 | 0 | 112.3 | V214 I226 P242 M243 A246 M254 I255 Y261 G262 A263 | V214-L258 HydrophobicContact CG1-CD1 4.48Å; V214-L258 HydrophobicContact CG2-CD1 4.24Å; I226-L258 HydrophobicContact CD1-CD2 4Å; P242-L258 HydrophobicContact CB-CD1 4.08Å; P242-L258 HydrophobicContact CB-CD2 4.04Å; P242-L258 WeakPolarHBondContact O-CD1 3.37Å; M243-L258 HydrophobicContact CE-CB 3.69Å; M243-L258 HydrophobicContact SD-CB 4.34Å; M243-L258 HydrophobicContact SD-CD1 4.48Å; A246-L258 HydrophobicContact CB-CD1 3.69Å; M254-L258 HydrophobicContact CG-CD1 4.28Å; M254-L258 WeakPolarHBondContact O-CG 3.36Å; M254-L258 PolarHBondContact O-N 3.46Å; I255-L258 PolarHBondContact O-N 3.15Å; L258-Y261 CarbonylContact O-C 3.24Å; L258-Y261 PolarHBondContact O-N 2.87Å; L258-G262 PolarHBondContact O-N 3.5Å; L258-A263 HydrophobicContact CB-CB 3.78Å; L258-A263 WeakPolarHBondContact O-CB 3.42Å; L258-A263 PolarHBondContact O-N 3.32Å |
| 259 | M | 96.1 | Very high | 94.6 | Very high | 101 Ų | 101 | 73.6 Ų | 73.6 | 50% | 0.498 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62 | -43.4 | 174.7 | -72.8 | 177.3 | 68.8 | 0 | 0 | 112.1 | M243 I255 R256 L257 Y261 G262 L265 | M243-M259 HydrophobicContact CE-CG 3.67Å; I255-M259 HydrophobicContact CG2-CG 4.42Å; I255-M259 HydrophobicContact CG2-SD 4Å; I255-M259 VanDerWaalsContact O-CG 3.29Å; I255-M259 WeakPolarHBondContact O-CG 3.26Å; I255-M259 PolarHBondContact O-N 3.45Å; R256-M259 PolarHBondContact O-N 3.23Å; L257-M259 VanDerWaalsContact C-N 3.32Å; L257-M259 PolarHBondContact O-N 2.87Å; M259-Y261 PolarHBondContact O-N 2.84Å; M259-G262 PolarHBondContact O-N 2.77Å; M259-L265 HydrophobicContact CE-CD1 4.4Å; M259-L265 HydrophobicContact CG-CD2 4.49Å |
| 260 | M | 96.1 | Very high | 94.9 | Very high | 149 Ų | 149 | 75 Ų | 75 | 73% | 0.734 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -60.9 | -33.1 | 177.9 | -74.6 | 175.4 | 60.5 | 0 | 0 | 112.3 | R256 L257 | R256-M260 VanDerWaalsContact O-CG 3.31Å; R256-M260 WeakPolarHBondContact O-CG 3.35Å; R256-M260 PolarHBondContact O-N 2.7Å; L257-M260 WeakPolarHBondContact O-CB 3.14Å; L257-M260 PolarHBondContact O-N 2.81Å; L257-M260 VanDerWaalsContact O-N 3.14Å |
| 261 | Y | 94.7 | Very high | 95.1 | Very high | 78 Ų | 78 | 76.7 Ų | 76.7 | 31% | 0.306 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | 22.9 | 179.4 | -62.7 | -72.4 | 0 | 0 | 0 | 113.8 | E223 I226 H227 L257 L258 M259 | E223-Y261 HydrophobicContact CG-CE2 4.22Å; E223-Y261 PolarHBondContact OE1-OH 3.2Å; I226-Y261 HydrophobicContact CD1-CD2 4.16Å; I226-Y261 HydrophobicContact CD1-CG 4.48Å; I226-Y261 HydrophobicContact CG2-CD1 3.81Å; I226-Y261 HydrophobicContact CG2-CD2 4.13Å; I226-Y261 HydrophobicContact CG2-CG 3.57Å; H227-Y261 AromaticContact CE1-CE1 3.67Å; H227-Y261 AromaticContact CE1-CZ 3.47Å; H227-Y261 VanDerWaalsContact CE1-CZ 3.47Å; H227-Y261 PolarHBondContact CE1-OH 3.48Å; L257-Y261 HydrophobicContact CD1-CD2 4.45Å; L257-Y261 HydrophobicContact CD1-CE2 3.87Å; L257-Y261 HydrophobicContact CG-CD2 4.03Å; L257-Y261 HydrophobicContact CG-CE2 3.96Å; L257-Y261 WeakPolarHBondContact O-CD2 3.28Å; L257-Y261 PolarHBondContact O-N 3.31Å; L257-Y261 VanDerWaalsContact O-N 3.16Å; L258-Y261 CarbonylContact O-C 3.24Å; L258-Y261 PolarHBondContact O-N 2.87Å; M259-Y261 PolarHBondContact O-N 2.84Å |
| 262 | G | 91.1 | Very high | 95.3 | Very high | 54 Ų | 54 | 71.5 Ų | 71.5 | 56% | 0.557 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.3 | 22.5 | 167.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | L258 M259 S264 | L258-G262 PolarHBondContact O-N 3.5Å; M259-G262 PolarHBondContact O-N 2.77Å; G262-S264 PolarHBondContact O-N 3.15Å |
| 263 | A | 95.3 | Very high | 95.5 | Very high | 9 Ų | 9 | 68.3 Ų | 68.3 | 7% | 0.074 | 37% | 0.365 | C | S | . | . | trans | -64.6 | 132.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | A232 M243 L258 | A232-A263 HydrophobicContact CB-CB 4.16Å; M243-A263 HydrophobicContact CE-CB 3.71Å; L258-A263 HydrophobicContact CB-CB 3.78Å; L258-A263 WeakPolarHBondContact O-CB 3.42Å; L258-A263 PolarHBondContact O-N 3.32Å | ||
| 264 | S | 93.4 | Very high | 95.6 | Very high | 30 Ų | 30 | 62.2 Ų | 62.2 | 21% | 0.21 | 34% | 0.34 | C | S | . | . | trans | -72.7 | 131.2 | -177.4 | 176.4 | 0 | 0 | 0 | 0 | 111.7 | N233 G262 S266 T267 | N233-S264 WeakPolarHBondContact OD1-CB 3.43Å; N233-S264 PolarHBondContact OD1-N 3.36Å; G262-S264 PolarHBondContact O-N 3.15Å; S264-S266 PolarHBondContact OG-N 3.02Å; S264-S266 PolarHBondContact OG-OG 3.07Å; S264-T267 WeakPolarHBondContact CB-OG1 3.38Å; S264-T267 PolarHBondContact OG-N 3.17Å; S264-T267 PolarHBondContact OG-OG1 3.33Å | ||
| 265 | L | 93.7 | Very high | 95.4 | Very high | 82 Ų | 82 | 62.3 Ų | 62.3 | 43% | 0.429 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -89.4 | -11.9 | 172.7 | -62 | 176.2 | 0 | 0 | 0 | 112.7 | M243 M259 | M243-L265 HydrophobicContact CE-CD2 3.66Å; M243-L265 HydrophobicContact CG-CD2 3.93Å; M243-L265 HydrophobicContact SD-CD2 3.97Å; M259-L265 HydrophobicContact CE-CD1 4.4Å; M259-L265 HydrophobicContact CG-CD2 4.49Å |
| 266 | S | 94.6 | Very high | 95.3 | Very high | 93 Ų | 93 | 65.8 Ų | 65.8 | 65% | 0.65 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -103 | -7.9 | -175.4 | 60.2 | 0 | 0 | 0 | 0 | 113.5 | S264 K268 | S264-S266 PolarHBondContact OG-N 3.02Å; S264-S266 PolarHBondContact OG-OG 3.07Å; S266-K268 PolarHBondContact O-N 3.36Å |
| 267 | T | 95.4 | Very high | 95.2 | Very high | 33 Ų | 33 | 61.1 Ų | 61.1 | 20% | 0.202 | 34% | 0.343 | C | S | . | . | trans | -64 | 128.6 | 176.8 | -59.2 | 0 | 0 | 0 | 0 | 109.5 | T241 H244 S264 P275 | T241-T267 HydrophobicContact CG2-CG2 3.68Å; H244-T267 PolarHBondContact CE1-O 2.87Å; H244-T267 PolarHBondContact NE2-O 3.13Å; S264-T267 WeakPolarHBondContact CB-OG1 3.38Å; S264-T267 PolarHBondContact OG-N 3.17Å; S264-T267 PolarHBondContact OG-OG1 3.33Å; T267-P275 WeakPolarHBondContact O-CD 3.45Å | ||
| 268 | K | 96.1 | Very high | 95 | Very high | 110 Ų | 110 | 61.4 Ų | 61.4 | 48% | 0.478 | 35% | 0.346 | S | S | . | . | trans | -94.9 | 134.7 | 177 | -68.4 | 179.2 | 168.9 | -160.7 | 0 | 111.1 | R235 S266 G272 K273 T274 | R235-K268 PolarHBondContact NH1-O 2.81Å; R235-K268 PolarHBondContact NH2-O 3.46Å; S266-K268 PolarHBondContact O-N 3.36Å; K268-G272 VanDerWaalsContact CD-O 3.26Å; K268-G272 WeakPolarHBondContact CD-O 3.3Å; K268-K273 CarbonylContact C-O 3.5Å; K268-K273 VanDerWaalsContact CA-O 3.31Å; K268-K273 WeakPolarHBondContact CA-O 3.08Å; K268-T274 HydrophobicContact CG-CG2 3.9Å | ||
| 269 | N | 96.5 | Very high | 94.7 | Very high | 8 Ų | 8 | 63.8 Ų | 63.8 | 4% | 0.043 | 36% | 0.358 | C | S | . | . | trans | -73 | -173.5 | 170.6 | 74.7 | -3.7 | 0 | 0 | 0 | 112 | G239 D240 D271 G272 K273 | G239-N269 WeakPolarHBondContact O-CA 3.33Å; D240-N269 WeakPolarHBondContact OD1-CB 3.31Å; D240-N269 PolarHBondContact OD1-ND2 3.18Å; N269-D271 PolarHBondContact O-N 3.48Å; N269-D271 WeakPolarHBondContact OD1-CA 3.41Å; N269-D271 WeakPolarHBondContact OD1-CB 3.33Å; N269-D271 PolarHBondContact OD1-N 2.79Å; N269-G272 PolarHBondContact O-N 3.5Å; N269-G272 PolarHBondContact OD1-N 3.5Å; N269-K273 PolarHBondContact N-O 2.9Å; N269-K273 PolarHBondContact OD1-N 3.44Å; N269-K273 PolarHBondContact OD1-O 3.01Å | ||
| 270 | S | 96.8 | Very high | 94.4 | Very high | 83 Ų | 83 | 64.7 Ų | 64.7 | 58% | 0.58 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -21.5 | -179.1 | -64 | 0 | 0 | 0 | 0 | 113.5 | D238 G239 G272 | D238-S270 VanDerWaalsContact C-OG 3.23Å; D238-S270 WeakPolarHBondContact O-CB 3.38Å; D238-S270 PolarHBondContact O-N 2.83Å; D238-S270 PolarHBondContact O-OG 3.39Å; G239-S270 PolarHBondContact N-OG 2.84Å; S270-G272 PolarHBondContact O-N 3.33Å |
| 271 | D | 94.4 | Very high | 94.1 | Very high | 125 Ų | 125 | 60.2 Ų | 60.2 | 67% | 0.668 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | 2.2 | 171.8 | -61.1 | -33.1 | 0 | 0 | 0 | 112.8 | N269 K273 | N269-D271 PolarHBondContact O-N 3.48Å; N269-D271 WeakPolarHBondContact OD1-CA 3.41Å; N269-D271 WeakPolarHBondContact OD1-CB 3.33Å; N269-D271 PolarHBondContact OD1-N 2.79Å; D271-K273 HydrophobicContact CB-CD 4.43Å; D271-K273 HydrophobicContact CB-CG 4.27Å; D271-K273 PolarHBondContact O-N 3.42Å |
| 272 | G | 95.9 | Very high | 93.8 | Very high | 36 Ų | 36 | 65 Ų | 65 | 37% | 0.371 | 36% | 0.358 | S | S | . | . | S | Bend | trans | 72.1 | 13.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114 | K268 N269 S270 | K268-G272 VanDerWaalsContact CD-O 3.26Å; K268-G272 WeakPolarHBondContact CD-O 3.3Å; N269-G272 PolarHBondContact O-N 3.5Å; N269-G272 PolarHBondContact OD1-N 3.5Å; S270-G272 PolarHBondContact O-N 3.33Å |
| 273 | K | 95.8 | Very high | 93.8 | Very high | 72 Ų | 72 | 66.5 Ų | 66.5 | 31% | 0.313 | 35% | 0.351 | S | S | . | . | trans | -98.4 | 139.3 | -179.7 | -63.9 | -178.6 | -178.2 | 175.7 | 0 | 110.7 | H244 K268 N269 D271 E277 S281 | H244-K273 PolarHBondContact NE2-O 2.91Å; H244-K273 VanDerWaalsContact NE2-O 3.08Å; K268-K273 CarbonylContact C-O 3.5Å; K268-K273 VanDerWaalsContact CA-O 3.31Å; K268-K273 WeakPolarHBondContact CA-O 3.08Å; N269-K273 PolarHBondContact N-O 2.9Å; N269-K273 PolarHBondContact OD1-N 3.44Å; N269-K273 PolarHBondContact OD1-O 3.01Å; D271-K273 HydrophobicContact CB-CD 4.43Å; D271-K273 HydrophobicContact CB-CG 4.27Å; D271-K273 PolarHBondContact O-N 3.42Å; K273-E277 WeakPolarHBondContact CA-OE2 3.46Å; K273-E277 HydrophobicContact CB-CB 4.2Å; K273-S281 PolarHBondContact NZ-OG 3.48Å | ||
| 274 | T | 96.8 | Very high | 93.6 | Very high | 18 Ų | 18 | 71 Ų | 71 | 11% | 0.11 | 37% | 0.373 | C | S | . | . | trans | -75.6 | 167.6 | 165.6 | 60.3 | 0 | 0 | 0 | 0 | 110.9 | K268 M276 E277 T278 | K268-T274 HydrophobicContact CG-CG2 3.9Å; T274-M276 PolarHBondContact O-N 2.97Å; T274-E277 WeakPolarHBondContact CG2-OE2 3.28Å; T274-E277 PolarHBondContact N-OE2 3.32Å; T274-E277 PolarHBondContact O-N 3.35Å; T274-E277 WeakPolarHBondContact OG1-CB 3.42Å; T274-E277 VanDerWaalsContact OG1-CD 3.29Å; T274-E277 VanDerWaalsContact OG1-CG 3.24Å; T274-E277 WeakPolarHBondContact OG1-CG 3.27Å; T274-E277 PolarHBondContact OG1-N 2.85Å; T274-E277 VanDerWaalsContact OG1-N 3.17Å; T274-E277 PolarHBondContact OG1-OE2 3.23Å; T274-T278 PolarHBondContact O-N 2.9Å; T274-T278 PolarHBondContact O-OG1 3.08Å | ||
| 275 | P | 94.7 | Very high | 93.5 | Very high | 1 Ų | 1 | 71.2 Ų | 71.2 | 1% | 0.006 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -55 | -41.2 | 173.4 | -25 | 33.1 | 0 | 0 | 0 | 112.2 | M243 H244 V247 T267 T278 L279 | M243-P275 HydrophobicContact CB-CB 4.43Å; M243-P275 HydrophobicContact CB-CG 3.95Å; M243-P275 HydrophobicContact CG-CB 3.76Å; M243-P275 HydrophobicContact CG-CG 3.64Å; H244-P275 WeakPolarHBondContact NE2-CD 3.42Å; V247-P275 HydrophobicContact CB-CB 4.42Å; V247-P275 WeakPolarHBondContact CG1-O 3.43Å; V247-P275 HydrophobicContact CG2-CB 3.98Å; T267-P275 WeakPolarHBondContact O-CD 3.45Å; P275-T278 WeakPolarHBondContact O-CB 3.42Å; P275-T278 PolarHBondContact O-N 3.3Å; P275-L279 PolarHBondContact O-N 3.44Å; P275-L279 VanDerWaalsContact O-N 3.13Å |
| 276 | M | 93.4 | Very high | 93.3 | Very high | 103 Ų | 103 | 68.6 Ų | 68.6 | 51% | 0.507 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -69.3 | -42.9 | -179.9 | -174.7 | 177.9 | -75 | 0 | 0 | 112.3 | T274 T278 L279 Y280 | T274-M276 PolarHBondContact O-N 2.97Å; M276-T278 VanDerWaalsContact C-N 3.26Å; M276-T278 PolarHBondContact O-N 2.97Å; M276-L279 WeakPolarHBondContact O-CB 3.32Å; M276-L279 PolarHBondContact O-N 3.49Å; M276-Y280 HydrophobicContact CG-CD2 3.94Å; M276-Y280 HydrophobicContact CG-CE2 3.4Å; M276-Y280 VanDerWaalsContact CG-CE2 3.4Å; M276-Y280 VanDerWaalsContact O-CD2 3.25Å; M276-Y280 WeakPolarHBondContact O-CD2 3.43Å; M276-Y280 PolarHBondContact O-N 2.98Å; M276-Y280 HydrophobicContact SD-CE2 3.86Å |
| 277 | E | 94.9 | Very high | 93.2 | Very high | 84 Ų | 84 | 70.9 Ų | 70.9 | 39% | 0.393 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.6 | -34.2 | 174.9 | -72.4 | 163.7 | 156.5 | 0 | 0 | 111.8 | K273 T274 L279 Y280 S281 | K273-E277 WeakPolarHBondContact CA-OE2 3.46Å; K273-E277 HydrophobicContact CB-CB 4.2Å; T274-E277 WeakPolarHBondContact CG2-OE2 3.28Å; T274-E277 PolarHBondContact N-OE2 3.32Å; T274-E277 PolarHBondContact O-N 3.35Å; T274-E277 WeakPolarHBondContact OG1-CB 3.42Å; T274-E277 VanDerWaalsContact OG1-CD 3.29Å; T274-E277 VanDerWaalsContact OG1-CG 3.24Å; T274-E277 WeakPolarHBondContact OG1-CG 3.27Å; T274-E277 PolarHBondContact OG1-N 2.85Å; T274-E277 VanDerWaalsContact OG1-N 3.17Å; T274-E277 PolarHBondContact OG1-OE2 3.23Å; E277-L279 VanDerWaalsContact C-N 3.35Å; E277-Y280 PolarHBondContact O-N 3.03Å; E277-S281 VanDerWaalsContact O-CB 3.31Å; E277-S281 WeakPolarHBondContact O-CB 3.34Å; E277-S281 PolarHBondContact O-N 3.48Å |
| 278 | T | 91.5 | Very high | 93 | Very high | 21 Ų | 21 | 72.3 Ų | 72.3 | 13% | 0.129 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -62.7 | -42 | 173.9 | -56.2 | 0 | 0 | 0 | 0 | 111.3 | T274 P275 M276 S281 W282 | T274-T278 PolarHBondContact O-N 2.9Å; T274-T278 PolarHBondContact O-OG1 3.08Å; P275-T278 WeakPolarHBondContact O-CB 3.42Å; P275-T278 PolarHBondContact O-N 3.3Å; M276-T278 VanDerWaalsContact C-N 3.26Å; M276-T278 PolarHBondContact O-N 2.97Å; T278-S281 PolarHBondContact O-N 3.36Å; T278-W282 PolarHBondContact O-N 3.42Å; T278-W282 VanDerWaalsContact O-N 3.11Å |
| 279 | L | 91 | Very high | 92.9 | Very high | 49 Ų | 49 | 73.1 Ų | 73.1 | 26% | 0.257 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.2 | -50.7 | 174.3 | -176.8 | 60.2 | 0 | 0 | 0 | 111.9 | V247 P275 M276 E277 S281 W282 Q283 | V247-L279 HydrophobicContact CG1-CB 3.58Å; V247-L279 HydrophobicContact CG1-CD1 4.16Å; V247-L279 HydrophobicContact CG1-CD2 4.27Å; V247-L279 HydrophobicContact CG1-CG 4.21Å; P275-L279 PolarHBondContact O-N 3.44Å; P275-L279 VanDerWaalsContact O-N 3.13Å; M276-L279 WeakPolarHBondContact O-CB 3.32Å; M276-L279 PolarHBondContact O-N 3.49Å; E277-L279 VanDerWaalsContact C-N 3.35Å; L279-S281 VanDerWaalsContact C-N 3.33Å; L279-S281 PolarHBondContact O-N 3.01Å; L279-W282 PolarHBondContact O-N 3.26Å; L279-Q283 HydrophobicContact CD1-CG 4.28Å; L279-Q283 HydrophobicContact CG-CG 4.42Å; L279-Q283 WeakPolarHBondContact O-CG 3.39Å; L279-Q283 PolarHBondContact O-N 3.11Å |
| 280 | Y | 91.3 | Very high | 92.6 | Very high | 120 Ų | 120 | 78.5 Ų | 78.5 | 47% | 0.471 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -62.9 | -41 | -179.4 | -70.4 | -51.3 | 0 | 0 | 0 | 112 | M276 E277 W282 Q283 N284 | M276-Y280 HydrophobicContact CG-CD2 3.94Å; M276-Y280 HydrophobicContact CG-CE2 3.4Å; M276-Y280 VanDerWaalsContact CG-CE2 3.4Å; M276-Y280 VanDerWaalsContact O-CD2 3.25Å; M276-Y280 WeakPolarHBondContact O-CD2 3.43Å; M276-Y280 PolarHBondContact O-N 2.98Å; M276-Y280 HydrophobicContact SD-CE2 3.86Å; E277-Y280 PolarHBondContact O-N 3.03Å; Y280-W282 VanDerWaalsContact C-N 3.29Å; Y280-W282 PolarHBondContact O-N 3.39Å; Y280-Q283 PolarHBondContact O-N 3.37Å; Y280-N284 VanDerWaalsContact O-CB 3.31Å; Y280-N284 WeakPolarHBondContact O-CB 3.44Å; Y280-N284 PolarHBondContact O-N 3.47Å; Y280-N284 PolarHBondContact O-ND2 2.9Å |
| 281 | S | 89.7 | Confident | 92.3 | Very high | 56 Ų | 56 | 77.4 Ų | 77.4 | 39% | 0.392 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -57.2 | -43.6 | 175.3 | -173.9 | 0 | 0 | 0 | 0 | 111.4 | K273 E277 T278 L279 G285 | K273-S281 PolarHBondContact NZ-OG 3.48Å; E277-S281 VanDerWaalsContact O-CB 3.31Å; E277-S281 WeakPolarHBondContact O-CB 3.34Å; E277-S281 PolarHBondContact O-N 3.48Å; T278-S281 PolarHBondContact O-N 3.36Å; L279-S281 VanDerWaalsContact C-N 3.33Å; L279-S281 PolarHBondContact O-N 3.01Å; S281-G285 PolarHBondContact O-N 3.01Å; S281-G285 VanDerWaalsContact O-N 3.13Å |
| 282 | W | 88.4 | Confident | 91.8 | Very high | 178 Ų | 178 | 75.7 Ų | 75.7 | 67% | 0.674 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -69.7 | -46.1 | 177.9 | -179.5 | 84.5 | 0 | 0 | 0 | 112.3 | T278 L279 Y280 N284 G285 A286 | T278-W282 PolarHBondContact O-N 3.42Å; T278-W282 VanDerWaalsContact O-N 3.11Å; L279-W282 PolarHBondContact O-N 3.26Å; Y280-W282 VanDerWaalsContact C-N 3.29Å; Y280-W282 PolarHBondContact O-N 3.39Å; W282-N284 VanDerWaalsContact C-N 3.35Å; W282-N284 PolarHBondContact O-N 3.49Å; W282-G285 PolarHBondContact O-N 2.6Å; W282-A286 WeakPolarHBondContact O-CB 3.48Å; W282-A286 PolarHBondContact O-N 2.87Å |
| 283 | Q | 91 | Very high | 90.9 | Very high | 86 Ų | 86 | 81.6 Ų | 81.6 | 40% | 0.402 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -60.4 | -43.1 | 178.7 | -73.5 | 178.4 | -15.6 | 0 | 0 | 112.2 | L279 Y280 A286 K287 | L279-Q283 HydrophobicContact CD1-CG 4.28Å; L279-Q283 HydrophobicContact CG-CG 4.42Å; L279-Q283 WeakPolarHBondContact O-CG 3.39Å; L279-Q283 PolarHBondContact O-N 3.11Å; Y280-Q283 PolarHBondContact O-N 3.37Å; Q283-A286 PolarHBondContact O-N 3.01Å; Q283-K287 VanDerWaalsContact O-CB 3.27Å; Q283-K287 WeakPolarHBondContact O-CB 3.25Å; Q283-K287 PolarHBondContact O-N 3.25Å |
| 284 | N | 91.1 | Very high | 89.4 | Confident | 104 Ų | 104 | 84.8 Ų | 84.8 | 56% | 0.556 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -66.1 | -41.9 | 177.4 | -70.8 | -21.7 | 0 | 0 | 0 | 111.6 | Y280 W282 K287 S288 | Y280-N284 VanDerWaalsContact O-CB 3.31Å; Y280-N284 WeakPolarHBondContact O-CB 3.44Å; Y280-N284 PolarHBondContact O-N 3.47Å; Y280-N284 PolarHBondContact O-ND2 2.9Å; W282-N284 VanDerWaalsContact C-N 3.35Å; W282-N284 PolarHBondContact O-N 3.49Å; N284-K287 PolarHBondContact O-N 3.09Å; N284-S288 WeakPolarHBondContact O-CB 3.47Å; N284-S288 PolarHBondContact O-N 2.92Å |
| 285 | G | 90.4 | Very high | 87.6 | Confident | 33 Ų | 33 | 91.6 Ų | 91.6 | 34% | 0.34 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.9 | -47.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | S281 W282 K287 S288 L289 | S281-G285 PolarHBondContact O-N 3.01Å; S281-G285 VanDerWaalsContact O-N 3.13Å; W282-G285 PolarHBondContact O-N 2.6Å; G285-K287 PolarHBondContact O-N 3.14Å; G285-S288 PolarHBondContact O-N 2.79Å; G285-L289 WeakPolarHBondContact O-CG 3.46Å; G285-L289 PolarHBondContact O-N 3.41Å |
| 286 | A | 89.8 | Confident | 85.8 | Confident | 28 Ų | 28 | 99.4 Ų | 99.4 | 23% | 0.231 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -61.6 | -44.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | W282 Q283 L289 L290 | W282-A286 WeakPolarHBondContact O-CB 3.48Å; W282-A286 PolarHBondContact O-N 2.87Å; Q283-A286 PolarHBondContact O-N 3.01Å; A286-L289 PolarHBondContact O-N 3.41Å; A286-L290 WeakPolarHBondContact O-CB 3.34Å; A286-L290 VanDerWaalsContact O-CG 3.26Å; A286-L290 WeakPolarHBondContact O-CG 3.26Å; A286-L290 PolarHBondContact O-N 3.44Å |
| 287 | K | 91.8 | Very high | 84.1 | Confident | 141 Ų | 141 | 103.2 Ų | 103.2 | 61% | 0.613 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -59.4 | -47.8 | 175.6 | -176.9 | -179.3 | 177.8 | -176.4 | 0 | 111.5 | Q283 N284 G285 L289 L290 C291 | Q283-K287 VanDerWaalsContact O-CB 3.27Å; Q283-K287 WeakPolarHBondContact O-CB 3.25Å; Q283-K287 PolarHBondContact O-N 3.25Å; N284-K287 PolarHBondContact O-N 3.09Å; G285-K287 PolarHBondContact O-N 3.14Å; K287-L289 VanDerWaalsContact C-N 3.33Å; K287-L289 PolarHBondContact O-N 3.16Å; K287-L290 PolarHBondContact O-N 2.82Å; K287-C291 WeakPolarHBondContact O-CB 3.35Å; K287-C291 PolarHBondContact O-N 2.92Å; K287-C291 PolarHBondContact O-SG 3.24Å |
| 288 | S | 92.6 | Very high | 82.4 | Confident | 62 Ų | 62 | 108.8 Ų | 108.8 | 43% | 0.434 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -59.3 | -44 | 178.7 | -174.6 | 0 | 0 | 0 | 0 | 111.8 | N284 G285 N292 | N284-S288 WeakPolarHBondContact O-CB 3.47Å; N284-S288 PolarHBondContact O-N 2.92Å; G285-S288 PolarHBondContact O-N 2.79Å; S288-N292 WeakPolarHBondContact O-CB 3.5Å; S288-N292 PolarHBondContact O-N 3.29Å; S288-N292 VanDerWaalsContact O-N 3.07Å; S288-N292 PolarHBondContact O-ND2 3.46Å; S288-N292 PolarHBondContact O-OD1 2.88Å |
| 289 | L | 92.5 | Very high | 81.9 | Confident | 127 Ų | 127 | 113.2 Ų | 113.2 | 67% | 0.665 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -63 | -44.4 | 178 | -72.4 | 169.1 | 0 | 0 | 0 | 112 | G285 A286 K287 F293 | G285-L289 WeakPolarHBondContact O-CG 3.46Å; G285-L289 PolarHBondContact O-N 3.41Å; A286-L289 PolarHBondContact O-N 3.41Å; K287-L289 VanDerWaalsContact C-N 3.33Å; K287-L289 PolarHBondContact O-N 3.16Å; L289-F293 PolarHBondContact O-N 2.9Å |
| 290 | L | 91.6 | Very high | 81.4 | Confident | 122 Ų | 122 | 116.6 Ų | 116.6 | 64% | 0.639 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -72.1 | -36.6 | -178.3 | -67.3 | 172.3 | 0 | 0 | 0 | 112.8 | A286 K287 | A286-L290 WeakPolarHBondContact O-CB 3.34Å; A286-L290 VanDerWaalsContact O-CG 3.26Å; A286-L290 WeakPolarHBondContact O-CG 3.26Å; A286-L290 PolarHBondContact O-N 3.44Å; K287-L290 PolarHBondContact O-N 2.82Å |
| 291 | C | 88.9 | Confident | 80.9 | Confident | 60 Ų | 60 | 116.4 Ų | 116.4 | 41% | 0.405 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -67.9 | -44.6 | 176.3 | -72 | 0 | 0 | 0 | 0 | 111.5 | K287 F293 N294 | K287-C291 WeakPolarHBondContact O-CB 3.35Å; K287-C291 PolarHBondContact O-N 2.92Å; K287-C291 PolarHBondContact O-SG 3.24Å; C291-F293 PolarHBondContact O-N 2.91Å; C291-N294 PolarHBondContact O-N 3.41Å; C291-N294 VanDerWaalsContact O-N 3.15Å |
| 292 | N | 84.9 | Confident | 80.4 | Confident | 88 Ų | 88 | 119.9 Ų | 119.9 | 47% | 0.471 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -66 | -27.3 | -179.7 | -64.2 | -1 | 0 | 0 | 0 | 112.3 | S288 N294 E295 | S288-N292 WeakPolarHBondContact O-CB 3.5Å; S288-N292 PolarHBondContact O-N 3.29Å; S288-N292 VanDerWaalsContact O-N 3.07Å; S288-N292 PolarHBondContact O-ND2 3.46Å; S288-N292 PolarHBondContact O-OD1 2.88Å; N292-N294 VanDerWaalsContact C-N 3.26Å; N292-N294 PolarHBondContact O-N 3.35Å; N292-E295 PolarHBondContact O-N 3.06Å |
| 293 | F | 77.8 | Confident | 79.9 | Confident | 161 Ų | 161 | 116.3 Ų | 116.3 | 71% | 0.706 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -67.7 | -23.7 | 176.4 | -144.4 | -89.9 | 0 | 0 | 0 | 113.6 | L289 C291 | L289-F293 PolarHBondContact O-N 2.9Å; C291-F293 PolarHBondContact O-N 2.91Å |
| 294 | N | 62.9 | Low | 79.1 | Confident | 139 Ų | 139 | 118.3 Ų | 118.3 | 74% | 0.743 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -84.9 | -15.1 | 177.4 | -78.2 | -19.2 | 0 | 0 | 0 | 113 | C291 N292 | C291-N294 PolarHBondContact O-N 3.41Å; C291-N294 VanDerWaalsContact O-N 3.15Å; N292-N294 VanDerWaalsContact C-N 3.26Å; N292-N294 PolarHBondContact O-N 3.35Å |
| 295 | E | 60.6 | Low | 78.3 | Confident | 160 Ų | 160 | 119.4 Ų | 119.4 | 75% | 0.748 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -91.3 | -17.4 | 179.4 | -64.9 | -177.8 | 178.3 | 0 | 0 | 112.1 | N292 K297 | N292-E295 PolarHBondContact O-N 3.06Å; E295-K297 PolarHBondContact O-N 3.08Å |
| 296 | E | 56.8 | Low | 77.3 | Confident | 165 Ų | 165 | 126 Ų | 126 | 77% | 0.771 | 66% | 0.656 | S | S | * | * | trans | -89 | 79.9 | 169 | -68.5 | -174.6 | 174.6 | 0 | 0 | 110.8 | ||||
| 297 | K | 56.3 | Low | 76.3 | Confident | 184 Ų | 184 | 134.2 Ų | 134.2 | 80% | 0.8 | 69% | 0.692 | S | S | * | * | trans | -121.1 | 140.1 | 152.9 | -90.1 | -175.5 | 179.4 | 175.9 | 0 | 109.6 | E295 | E295-K297 PolarHBondContact O-N 3.08Š| ||
| 298 | P | 58.8 | Low | 74.9 | Confident | 201 Ų | 201 | 133.5 Ų | 133.5 | 100% | 1.305 | 70% | 0.699 | S | S | * | * | trans | -65.8 | 0 | -170.1 | 28.9 | -36.6 | 0 | 0 | 0 | 114 |
Retrieved 298 of 298 residues in 216.3 ms
(Link to these results)