| 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 | 36 | Very low | 31.7 | Very low | 232 Ų | 232 | 155.9 Ų | 155.9 | 100% | 1.143 | 83% | 0.833 | S | S | * | * | 0 | 132.8 | 0 | -79.3 | 168 | 155.4 | 0 | 0 | 108 | |||||
| 2 | N | 32.7 | Very low | 31.5 | Very low | 150 Ų | 150 | 153.9 Ų | 153.9 | 80% | 0.802 | 82% | 0.82 | S | S | * | * | trans | 40 | 103.1 | 156.6 | -49 | 1.4 | 0 | 0 | 0 | 117.3 | ||||
| 3 | S | 28 | Very low | 31.6 | Very low | 95 Ų | 95 | 159.8 Ų | 159.8 | 66% | 0.664 | 83% | 0.826 | S | S | * | * | 81 | 121.8 | 57.2 | 76.8 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 4 | L | 29.6 | Very low | 31.5 | Very low | 156 Ų | 156 | 159.6 Ų | 159.6 | 82% | 0.817 | 82% | 0.82 | S | S | * | * | trans | 65.6 | 126.8 | 152.7 | -61.8 | 159.4 | 0 | 0 | 0 | 116.6 | ||||
| 5 | N | 32.9 | Very low | 31.4 | Very low | 150 Ų | 150 | 159.7 Ų | 159.7 | 80% | 0.802 | 82% | 0.823 | S | S | * | * | -159 | 153.9 | 61 | -105.2 | -30.1 | 0 | 0 | 0 | 113.2 | |||||
| 6 | V | 30.6 | Very low | 31.4 | Very low | 138 Ų | 138 | 156.3 Ų | 156.3 | 84% | 0.836 | 82% | 0.817 | S | S | * | * | trans | -112.9 | 133 | 167.2 | 174.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 7 | M | 34.6 | Very low | 31.2 | Very low | 184 Ų | 184 | 154.5 Ų | 154.5 | 91% | 0.906 | 82% | 0.821 | S | S | * | * | trans | -106.4 | 134.1 | 165.5 | -76.6 | -146.8 | -66 | 0 | 0 | 110.1 | ||||
| 8 | G | 28.9 | Very low | 31.3 | Very low | 73 Ų | 73 | 155.2 Ų | 155.2 | 75% | 0.753 | 82% | 0.818 | S | S | * | * | trans | -83.4 | 174.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 9 | L | 34.6 | Very low | 31.3 | Very low | 173 Ų | 173 | 155.7 Ų | 155.7 | 91% | 0.906 | 82% | 0.822 | S | S | * | * | trans | -118 | 128.8 | 167.7 | -83.4 | 167.1 | 0 | 0 | 0 | 109.6 | ||||
| 10 | H | 29.2 | Very low | 31.2 | Very low | 149 Ų | 149 | 157.6 Ų | 157.6 | 69% | 0.69 | 83% | 0.826 | S | S | * | * | trans | -83.1 | 136.2 | -176.7 | -154.5 | -71.3 | 0 | 0 | 0 | 109.8 | ||||
| 11 | Y | 31.9 | Very low | 31 | Very low | 215 Ų | 215 | 157.5 Ų | 157.5 | 84% | 0.843 | 83% | 0.825 | S | S | * | * | trans | -113.8 | 131.1 | 162.6 | -96.5 | -84.3 | 0 | 0 | 0 | 109.8 | ||||
| 12 | I | 28.5 | Very low | 30.7 | Very low | 132 Ų | 132 | 153 Ų | 153 | 68% | 0.677 | 81% | 0.805 | S | S | * | * | trans | -94.4 | 135.7 | 178.6 | -62.6 | 166.9 | 0 | 0 | 0 | 107.2 | E14 | I12-E14 HydrophobicContact CG2-CG 4.48Š| ||
| 13 | Y | 33.7 | Very low | 30.7 | Very low | 230 Ų | 230 | 152.1 Ų | 152.1 | 90% | 0.902 | 80% | 0.801 | S | S | * | * | trans | -132.7 | 112.5 | 162.6 | -122.7 | -83.1 | 0 | 0 | 0 | 110.4 | ||||
| 14 | E | 29.5 | Very low | 30.7 | Very low | 158 Ų | 158 | 157.3 Ų | 157.3 | 74% | 0.738 | 81% | 0.811 | S | S | * | * | trans | -81.1 | 125.8 | 168.7 | -62.1 | 173.2 | 128.8 | 0 | 0 | 109.1 | I12 | I12-E14 HydrophobicContact CG2-CG 4.48Š| ||
| 15 | N | 30.6 | Very low | 30.9 | Very low | 161 Ų | 161 | 158 Ų | 158 | 86% | 0.861 | 81% | 0.814 | S | S | * | * | 179.1 | 162.4 | 114.5 | -105.2 | -61.2 | 0 | 0 | 0 | 116 | |||||
| 16 | S | 31.4 | Very low | 30.8 | Very low | 105 Ų | 105 | 158.1 Ų | 158.1 | 73% | 0.734 | 81% | 0.81 | S | S | * | * | trans | 81.8 | 56.3 | 159.1 | -160.2 | 0 | 0 | 0 | 0 | 118.7 | Q18 | S16-Q18 PolarHBondContact O-N 3.11Å; S16-Q18 VanDerWaalsContact O-N 3.12Å | ||
| 17 | S | 28.1 | Very low | 30.6 | Very low | 125 Ų | 125 | 161.1 Ų | 161.1 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | trans | -72.1 | 90.3 | 158.2 | 57.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 18 | Q | 32.1 | Very low | 30.4 | Very low | 167 Ų | 167 | 159.4 Ų | 159.4 | 78% | 0.78 | 80% | 0.801 | S | S | * | * | trans | -138 | 96.9 | 159.2 | -84.8 | -166.2 | -20.9 | 0 | 0 | 110 | S16 | S16-Q18 PolarHBondContact O-N 3.11Å; S16-Q18 VanDerWaalsContact O-N 3.12Å | ||
| 19 | N | 32.6 | Very low | 30.6 | Very low | 166 Ų | 166 | 162.4 Ų | 162.4 | 89% | 0.888 | 80% | 0.804 | S | S | * | * | trans | 161.1 | 61.2 | 148.5 | -82.5 | -28.8 | 0 | 0 | 0 | 111.2 | ||||
| 20 | Q | 28.4 | Very low | 30.2 | Very low | 192 Ų | 192 | 158.5 Ų | 158.5 | 90% | 0.897 | 79% | 0.791 | S | S | * | * | trans | -91.2 | 89 | 155.7 | -75.1 | -172.6 | -0.9 | 0 | 0 | 109 | ||||
| 21 | L | 27.6 | Very low | 30.2 | Very low | 156 Ų | 156 | 160 Ų | 160 | 82% | 0.817 | 80% | 0.798 | S | S | * | * | trans | 179.2 | 103.1 | 146.8 | -123.6 | 72.2 | 0 | 0 | 0 | 110.7 | ||||
| 22 | L | 29.2 | Very low | 30.2 | Very low | 137 Ų | 137 | 156.2 Ų | 156.2 | 72% | 0.717 | 80% | 0.798 | S | S | * | * | 176.6 | 145.3 | 111.3 | -116 | 68.1 | 0 | 0 | 0 | 112.6 | |||||
| 23 | N | 32.8 | Very low | 30 | Very low | 133 Ų | 133 | 156.3 Ų | 156.3 | 71% | 0.711 | 80% | 0.804 | S | S | * | * | trans | 67.2 | 80.6 | 151.3 | -60 | -6.4 | 0 | 0 | 0 | 119.7 | I25 | N23-I25 PolarHBondContact O-N 3.5Š| ||
| 24 | K | 28.7 | Very low | 29.9 | Very low | 204 Ų | 204 | 150.7 Ų | 150.7 | 89% | 0.887 | 80% | 0.799 | S | S | * | * | -49.8 | 127.6 | 122.6 | -73.2 | 174.5 | 175.1 | 174.1 | 0 | 109.5 | |||||
| 25 | I | 33.7 | Very low | 29.7 | Very low | 169 Ų | 169 | 149.8 Ų | 149.8 | 87% | 0.867 | 80% | 0.804 | S | S | * | * | -158 | 132.1 | 127.8 | -95.8 | 147.5 | 0 | 0 | 0 | 106.3 | N23 | N23-I25 PolarHBondContact O-N 3.5Š| |||
| 26 | Q | 29.4 | Very low | 29.7 | Very low | 154 Ų | 154 | 150.6 Ų | 150.6 | 72% | 0.72 | 80% | 0.803 | S | S | * | * | trans | -121 | 143.1 | -169.1 | -146.6 | -173.6 | 5.3 | 0 | 0 | 109.3 | ||||
| 27 | R | 27.6 | Very low | 29.3 | Very low | 201 Ų | 201 | 151.3 Ų | 151.3 | 76% | 0.758 | 81% | 0.808 | S | S | * | * | trans | 81.7 | 149.8 | 160.1 | -53.7 | -177.4 | -177.8 | 158.8 | 1.8 | 119.2 | ||||
| 28 | N | 29.2 | Very low | 29.3 | Very low | 148 Ų | 148 | 152.5 Ų | 152.5 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | trans | 74.2 | 132.4 | 169 | -54.8 | -11.6 | 0 | 0 | 0 | 114.1 | ||||
| 29 | T | 33.2 | Very low | 29 | Very low | 136 Ų | 136 | 149.8 Ų | 149.8 | 83% | 0.834 | 80% | 0.803 | S | S | * | * | cis | -149.6 | 166.9 | 18 | -18.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 30 | S | 27.5 | Very low | 28.7 | Very low | 90 Ų | 90 | 149.4 Ų | 149.4 | 63% | 0.629 | 80% | 0.8 | S | S | * | * | trans | -63.9 | 158.3 | -177.8 | 52.2 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 31 | H | 28.7 | Very low | 28.5 | Very low | 180 Ų | 180 | 147.4 Ų | 147.4 | 83% | 0.833 | 80% | 0.795 | S | S | * | * | trans | 55.4 | 121.1 | 152.8 | -74.9 | -73.5 | 0 | 0 | 0 | 119.2 | ||||
| 32 | V | 31.3 | Very low | 28.6 | Very low | 137 Ų | 137 | 145.1 Ų | 145.1 | 83% | 0.83 | 79% | 0.788 | S | S | * | * | -168 | 144.8 | 107 | 148.1 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 33 | T | 26 | Very low | 28.4 | Very low | 133 Ų | 133 | 144.2 Ų | 144.2 | 82% | 0.816 | 79% | 0.788 | S | S | * | * | trans | -91 | 124.4 | 175.9 | 46.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 34 | S | 29.9 | Very low | 28.2 | Very low | 113 Ų | 113 | 147.7 Ų | 147.7 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | trans | -162.9 | 142 | 147.5 | 48.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 35 | T | 26 | Very low | 28.2 | Very low | 138 Ų | 138 | 145.4 Ų | 145.4 | 85% | 0.847 | 79% | 0.79 | S | S | * | * | trans | -68.4 | 127.8 | 173.5 | 45.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 36 | E | 30.1 | Very low | 27.8 | Very low | 179 Ų | 179 | 144.3 Ų | 144.3 | 84% | 0.836 | 79% | 0.786 | S | S | * | * | trans | -151.6 | 133.5 | 153.6 | -125.9 | 166.5 | -148.2 | 0 | 0 | 111.7 | ||||
| 37 | S | 24.4 | Very low | 27.9 | Very low | 120 Ų | 120 | 145.5 Ų | 145.5 | 84% | 0.839 | 80% | 0.797 | S | S | * | * | trans | -83.6 | 111.6 | -177.9 | 51.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 38 | L | 27.6 | Very low | 27.9 | Very low | 149 Ų | 149 | 141.4 Ų | 141.4 | 78% | 0.78 | 79% | 0.794 | S | S | * | * | trans | -117 | 115 | 174.6 | -86.1 | 160.9 | 0 | 0 | 0 | 111.6 | L40 | L38-L40 PolarHBondContact O-N 2.9Š| ||
| 39 | S | 24.5 | Very low | 28 | Very low | 110 Ų | 110 | 142.4 Ų | 142.4 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | trans | -65.6 | 118.4 | 170.9 | 50.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 40 | L | 27.6 | Very low | 27.8 | Very low | 158 Ų | 158 | 142.1 Ų | 142.1 | 83% | 0.827 | 79% | 0.793 | S | S | * | * | trans | -91.5 | 107.1 | 172.5 | -83.8 | 162.8 | 0 | 0 | 0 | 110.8 | L38 V42 | L38-L40 PolarHBondContact O-N 2.9Å; L40-V42 PolarHBondContact O-N 3.26Å | ||
| 41 | N | 23.4 | Very low | 27.9 | Very low | 150 Ų | 150 | 144.7 Ų | 144.7 | 80% | 0.802 | 81% | 0.805 | S | S | * | * | trans | -66.2 | 114.9 | 160.1 | -77.1 | -27.4 | 0 | 0 | 0 | 108.4 | T43 | N41-T43 PolarHBondContact O-N 2.97Š| ||
| 42 | V | 29.1 | Very low | 27.9 | Very low | 108 Ų | 108 | 142.7 Ų | 142.7 | 66% | 0.655 | 80% | 0.799 | S | S | * | * | trans | -92 | 98.3 | 172.8 | -179.2 | 0 | 0 | 0 | 0 | 108.9 | L40 Y44 | L40-V42 PolarHBondContact O-N 3.26Å; V42-Y44 HydrophobicContact CG1-CD2 4.42Å; V42-Y44 HydrophobicContact CG1-CE2 4.28Å | ||
| 43 | T | 25.9 | Very low | 27.8 | Very low | 118 Ų | 118 | 143 Ų | 143 | 72% | 0.724 | 80% | 0.8 | S | S | * | * | trans | -71.1 | 126.1 | 161 | 36.9 | 0 | 0 | 0 | 0 | 109.3 | N41 | N41-T43 PolarHBondContact O-N 2.97Š| ||
| 44 | Y | 28.1 | Very low | 27.9 | Very low | 207 Ų | 207 | 143 Ų | 143 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | trans | -86.5 | 108.8 | 172 | -83.6 | -91.9 | 0 | 0 | 0 | 109.7 | V42 | V42-Y44 HydrophobicContact CG1-CD2 4.42Å; V42-Y44 HydrophobicContact CG1-CE2 4.28Å | ||
| 45 | D | 28.4 | Very low | 27.9 | Very low | 155 Ų | 155 | 144.2 Ų | 144.2 | 83% | 0.829 | 79% | 0.793 | S | S | * | * | trans | -79.5 | 135 | 165 | -79.5 | -45.1 | 0 | 0 | 0 | 110.5 | ||||
| 46 | N | 26.1 | Very low | 28 | Very low | 146 Ų | 146 | 144 Ų | 144 | 78% | 0.781 | 79% | 0.787 | S | S | * | * | trans | -79.1 | 126.8 | -177.9 | -67.2 | -65.8 | 0 | 0 | 0 | 110.8 | ||||
| 47 | L | 31 | Very low | 27.8 | Very low | 180 Ų | 180 | 146.5 Ų | 146.5 | 94% | 0.942 | 79% | 0.789 | S | S | * | * | trans | -113.4 | 102.3 | 155.5 | -88.3 | 161.5 | 0 | 0 | 0 | 108.4 | ||||
| 48 | T | 28.1 | Very low | 28.1 | Very low | 115 Ų | 115 | 150.2 Ų | 150.2 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | trans | -83.4 | 137.6 | 168.6 | 40.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 49 | D | 31 | Very low | 28 | Very low | 168 Ų | 168 | 150.6 Ų | 150.6 | 90% | 0.898 | 79% | 0.792 | S | S | * | * | trans | -127.2 | 121.9 | 163.4 | -130.9 | -18.5 | 0 | 0 | 0 | 108.3 | ||||
| 50 | D | 28.2 | Very low | 28.3 | Very low | 131 Ų | 131 | 150.2 Ų | 150.2 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | trans | -81 | 126.7 | -166.7 | -86.1 | -51 | 0 | 0 | 0 | 112.5 | ||||
| 51 | T | 30.8 | Very low | 28.3 | Very low | 144 Ų | 144 | 150.6 Ų | 150.6 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | trans | -137.4 | 97.7 | 150.2 | 25 | 0 | 0 | 0 | 0 | 110.7 | V53 | T51-V53 PolarHBondContact O-N 3.21Š| ||
| 52 | I | 27.8 | Very low | 28.6 | Very low | 138 Ų | 138 | 149.6 Ų | 149.6 | 71% | 0.708 | 79% | 0.787 | S | S | * | * | trans | -74.7 | 117.4 | -176.3 | -61.7 | 165.7 | 0 | 0 | 0 | 110.9 | ||||
| 53 | V | 30.8 | Very low | 28.5 | Very low | 142 Ų | 142 | 150.9 Ų | 150.9 | 86% | 0.861 | 80% | 0.795 | S | S | * | * | trans | -139.5 | 115.9 | 143.6 | -177.4 | 0 | 0 | 0 | 0 | 109.6 | T51 | T51-V53 PolarHBondContact O-N 3.21Š| ||
| 54 | N | 26 | Very low | 28.6 | Very low | 133 Ų | 133 | 150.6 Ų | 150.6 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | trans | -62.1 | 141.2 | 177.1 | -96.8 | -44.2 | 0 | 0 | 0 | 113.1 | ||||
| 55 | N | 30.1 | Very low | 28.5 | Very low | 140 Ų | 140 | 147.4 Ų | 147.4 | 75% | 0.749 | 79% | 0.785 | S | S | * | * | -175 | 114.7 | 120.1 | -96.5 | -44 | 0 | 0 | 0 | 114.7 | |||||
| 56 | N | 29.3 | Very low | 28.5 | Very low | 133 Ų | 133 | 145 Ų | 145 | 71% | 0.711 | 77% | 0.77 | S | S | * | * | trans | 57.9 | 87.2 | 142.4 | -62.6 | -41 | 0 | 0 | 0 | 121.6 | ||||
| 57 | R | 26.1 | Very low | 28.7 | Very low | 232 Ų | 232 | 145.4 Ų | 145.4 | 88% | 0.875 | 77% | 0.772 | S | S | * | * | 49.5 | 101.3 | 105.1 | -164.8 | -176.5 | -162.2 | 172.1 | 6.4 | 118.4 | |||||
| 58 | K | 29.8 | Very low | 28.6 | Very low | 197 Ų | 197 | 144.1 Ų | 144.1 | 86% | 0.857 | 76% | 0.761 | S | S | * | * | -177.9 | 126.3 | 121.2 | -104.2 | 174.7 | -177.6 | 179.7 | 0 | 113 | |||||
| 59 | D | 25.3 | Very low | 28.5 | Very low | 157 Ų | 157 | 145.1 Ų | 145.1 | 84% | 0.84 | 77% | 0.767 | S | S | * | * | trans | -65.2 | 149.2 | 171.1 | -52.2 | -80 | 0 | 0 | 0 | 112.6 | ||||
| 60 | S | 31.5 | Very low | 28.3 | Very low | 102 Ų | 102 | 144.2 Ų | 144.2 | 71% | 0.713 | 76% | 0.761 | S | S | * | * | trans | -161.1 | 93.2 | 160.7 | -63.8 | 0 | 0 | 0 | 0 | 110.3 | N62 | S60-N62 PolarHBondContact O-N 3.19Š| ||
| 61 | N | 27.5 | Very low | 28.2 | Very low | 167 Ų | 167 | 145.1 Ų | 145.1 | 89% | 0.893 | 76% | 0.764 | S | S | * | * | trans | -59 | 124.8 | 163.7 | -72.5 | -35.4 | 0 | 0 | 0 | 109.2 | ||||
| 62 | N | 29.9 | Very low | 27.9 | Very low | 128 Ų | 128 | 145.7 Ų | 145.7 | 68% | 0.684 | 76% | 0.757 | S | S | * | * | trans | -137.5 | 95.9 | 167 | -87 | -54.1 | 0 | 0 | 0 | 109.2 | S60 L64 | S60-N62 PolarHBondContact O-N 3.19Å; N62-L64 PolarHBondContact O-N 3.03Å | ||
| 63 | V | 25.9 | Very low | 27.9 | Very low | 136 Ų | 136 | 146.7 Ų | 146.7 | 82% | 0.824 | 76% | 0.763 | S | S | * | * | trans | -68.9 | 121.5 | 159.5 | 176 | 0 | 0 | 0 | 0 | 106.8 | L65 | V63-L65 HydrophobicContact CG1-CD1 4.22Š| ||
| 64 | L | 28.9 | Very low | 27.9 | Very low | 111 Ų | 111 | 147.1 Ų | 147.1 | 58% | 0.581 | 76% | 0.756 | S | S | * | * | trans | -131.4 | 96.8 | -179.5 | -125.5 | 160.8 | 0 | 0 | 0 | 108.6 | N62 M66 | N62-L64 PolarHBondContact O-N 3.03Å; L64-M66 HydrophobicContact CD2-CE 4.4Å; L64-M66 HydrophobicContact CD2-CG 4.46Å; L64-M66 PolarHBondContact O-N 3.06Å | ||
| 65 | L | 25.5 | Very low | 27.9 | Very low | 141 Ų | 141 | 147 Ų | 147 | 74% | 0.738 | 76% | 0.755 | S | S | * | * | trans | -62.3 | 131.6 | 163 | -80.7 | 80.6 | 0 | 0 | 0 | 107.9 | V63 | V63-L65 HydrophobicContact CG1-CD1 4.22Š| ||
| 66 | M | 29.1 | Very low | 27.8 | Very low | 105 Ų | 105 | 148.7 Ų | 148.7 | 52% | 0.517 | 76% | 0.762 | S | S | . | * | trans | -116.2 | 117.9 | 165 | -76.2 | -163.7 | 170.2 | 0 | 0 | 109.6 | L64 M127 L131 | L64-M66 HydrophobicContact CD2-CE 4.4Å; L64-M66 HydrophobicContact CD2-CG 4.46Å; L64-M66 PolarHBondContact O-N 3.06Å; M66-M127 HydrophobicContact CE-CE 4.2Å; M66-M127 HydrophobicContact CE-SD 4.44Å; M66-L131 HydrophobicContact CE-CD1 4.39Å; M66-L131 HydrophobicContact SD-CD1 4.17Å | ||
| 67 | N | 29.3 | Very low | 27.7 | Very low | 154 Ų | 154 | 147.8 Ų | 147.8 | 82% | 0.824 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 143.5 | 166.9 | -75.9 | -22.4 | 0 | 0 | 0 | 109.8 | ||
| 68 | H | 28.7 | Very low | 27.8 | Very low | 152 Ų | 152 | 143.3 Ų | 143.3 | 70% | 0.704 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 128.8 | 177.4 | -75 | -82.3 | 0 | 0 | 0 | 111.7 | ||
| 69 | T | 27.6 | Very low | 27.6 | Very low | 137 Ų | 137 | 140 Ų | 140 | 84% | 0.84 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -102.2 | 126 | 154.4 | 7.8 | 0 | 0 | 0 | 0 | 109 | ||
| 70 | I | 25.4 | Very low | 27.7 | Very low | 149 Ų | 149 | 140.3 Ų | 140.3 | 76% | 0.764 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 132.1 | 176.3 | -63.9 | 168.2 | 0 | 0 | 0 | 108 | Q72 | I70-Q72 HydrophobicContact CG2-CG 4.38Š|
| 71 | I | 27.8 | Very low | 27.4 | Very low | 149 Ų | 149 | 140.4 Ų | 140.4 | 76% | 0.764 | 75% | 0.754 | S | S | * | * | trans | -119.9 | 121.6 | 164 | -61.2 | 179 | 0 | 0 | 0 | 106.7 | ||||
| 72 | Q | 24.3 | Very low | 27.6 | Very low | 157 Ų | 157 | 138.5 Ų | 138.5 | 73% | 0.734 | 75% | 0.749 | S | S | * | * | trans | -88 | 128.2 | 171.4 | -67.7 | 173.2 | -46.3 | 0 | 0 | 108.5 | I70 | I70-Q72 HydrophobicContact CG2-CG 4.38Š| ||
| 73 | D | 27.9 | Very low | 27.4 | Very low | 158 Ų | 158 | 139.8 Ų | 139.8 | 85% | 0.845 | 76% | 0.756 | S | S | * | * | trans | -118.4 | 131.3 | 162.6 | -85.8 | -41.8 | 0 | 0 | 0 | 108.5 | ||||
| 74 | H | 29.9 | Very low | 27.6 | Very low | 151 Ų | 151 | 139.5 Ų | 139.5 | 70% | 0.699 | 75% | 0.754 | S | S | * | * | trans | -93.3 | 142.9 | -172.7 | -75.5 | -23.7 | 0 | 0 | 0 | 113.9 | ||||
| 75 | N | 25.3 | Very low | 27.5 | Very low | 132 Ų | 132 | 139 Ų | 139 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | trans | 36.7 | 116.4 | 142.5 | -59 | -11.7 | 0 | 0 | 0 | 120.2 | ||||
| 76 | I | 28.1 | Very low | 27.8 | Very low | 175 Ų | 175 | 136.5 Ų | 136.5 | 90% | 0.897 | 75% | 0.754 | S | S | * | * | trans | -129.7 | 99 | 135.9 | -60 | -177.7 | 0 | 0 | 0 | 108.2 | ||||
| 77 | T | 27.5 | Very low | 28 | Very low | 114 Ų | 114 | 140.5 Ų | 140.5 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 133 | 174.7 | -39.6 | 0 | 0 | 0 | 0 | 109.5 | ||
| 78 | T | 28 | Very low | 28.2 | Very low | 137 Ų | 137 | 137.5 Ų | 137.5 | 84% | 0.84 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 129.1 | 176.6 | 32.2 | 0 | 0 | 0 | 0 | 112 | ||
| 79 | V | 25.9 | Very low | 28.5 | Very low | 127 Ų | 127 | 136.3 Ų | 136.3 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 131.4 | 179.7 | 178.9 | 0 | 0 | 0 | 0 | 111.8 | P81 | V79-P81 HydrophobicContact CG1-CB 4.44Š|
| 80 | I | 27.7 | Very low | 28.9 | Very low | 164 Ų | 164 | 137.9 Ų | 137.9 | 84% | 0.841 | 76% | 0.764 | S | S | * | * | trans | -126.1 | 125.4 | 149.4 | -59.1 | 178.2 | 0 | 0 | 0 | 105.2 | ||||
| 81 | P | 25.4 | Very low | 29.3 | Very low | 104 Ų | 104 | 134.6 Ų | 134.6 | 68% | 0.675 | 76% | 0.759 | S | S | * | * | trans | -98.4 | 134.7 | -170 | 35.2 | -32 | 0 | 0 | 0 | 113.5 | V79 | V79-P81 HydrophobicContact CG1-CB 4.44Š| ||
| 82 | T | 30.9 | Very low | 29.7 | Very low | 127 Ų | 127 | 133.6 Ų | 133.6 | 78% | 0.779 | 76% | 0.755 | S | S | * | * | trans | -149.8 | 102.6 | 154.2 | 48.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 83 | D | 25.5 | Very low | 30.3 | Very low | 155 Ų | 155 | 133.3 Ų | 133.3 | 83% | 0.829 | 76% | 0.758 | S | S | * | * | trans | 50.8 | 148.1 | 141.7 | -54.6 | -37.4 | 0 | 0 | 0 | 125.1 | ||||
| 84 | V | 30.8 | Very low | 30.7 | Very low | 131 Ų | 131 | 129.9 Ų | 129.9 | 79% | 0.794 | 75% | 0.747 | S | S | * | * | trans | 89.7 | 114.8 | 157.9 | -159.4 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 85 | S | 26.3 | Very low | 31 | Very low | 100 Ų | 100 | 128.9 Ų | 128.9 | 70% | 0.699 | 75% | 0.747 | S | S | * | * | trans | -28 | 162.2 | 157.3 | 51.4 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 86 | S | 32.2 | Very low | 31.6 | Very low | 89 Ų | 89 | 128.4 Ų | 128.4 | 62% | 0.622 | 74% | 0.744 | S | S | * | * | cis | -176.5 | 155.4 | 18.5 | 21.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 87 | Q | 32.6 | Very low | 32 | Very low | 188 Ų | 188 | 125.9 Ų | 125.9 | 88% | 0.879 | 73% | 0.733 | S | S | * | * | trans | 62.4 | 152.8 | 144.1 | -69.3 | 168.5 | 14.1 | 0 | 0 | 118.8 | ||||
| 88 | S | 34.8 | Very low | 32.6 | Very low | 92 Ų | 92 | 126.7 Ų | 126.7 | 64% | 0.643 | 73% | 0.733 | S | S | * | * | cis | -170.8 | 144.3 | -8.3 | 49.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 89 | V | 34.8 | Very low | 33 | Very low | 127 Ų | 127 | 125.8 Ų | 125.8 | 77% | 0.77 | 72% | 0.723 | S | S | * | * | 64.7 | 139.2 | 109.3 | -177.1 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 90 | E | 36.7 | Very low | 33.6 | Very low | 170 Ų | 170 | 126.7 Ų | 126.7 | 79% | 0.794 | 72% | 0.723 | S | S | * | * | cis | -136.9 | -131.2 | 24.1 | -159.4 | 144.5 | -94.6 | 0 | 0 | 115.3 | ||||
| 91 | A | 33.4 | Very low | 33.9 | Very low | 79 Ų | 79 | 126.2 Ų | 126.2 | 65% | 0.653 | 72% | 0.722 | S | S | * | * | trans | -166.3 | -171.8 | -155.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 92 | N | 36.1 | Very low | 34.4 | Very low | 128 Ų | 128 | 131.2 Ų | 131.2 | 68% | 0.684 | 73% | 0.729 | S | S | * | * | trans | 106 | 141.6 | 147.8 | -64.1 | -28.2 | 0 | 0 | 0 | 123.9 | ||||
| 93 | N | 36.7 | Very low | 34.6 | Very low | 151 Ų | 151 | 131.3 Ų | 131.3 | 81% | 0.807 | 73% | 0.725 | S | S | * | * | trans | 76.3 | 154.8 | 146.3 | -68.1 | -14.6 | 0 | 0 | 0 | 122.7 | ||||
| 94 | S | 35.7 | Very low | 34.9 | Very low | 86 Ų | 86 | 128.3 Ų | 128.3 | 60% | 0.601 | 72% | 0.716 | S | S | * | * | cis | -177.7 | 164.9 | -34.7 | -154 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 95 | N | 37.6 | Very low | 35 | Very low | 131 Ų | 131 | 128.9 Ų | 128.9 | 70% | 0.701 | 72% | 0.715 | S | S | * | * | trans | 69.7 | 156.4 | 153.2 | -64.5 | -1 | 0 | 0 | 0 | 118.5 | ||||
| 96 | N | 36.2 | Very low | 35.3 | Very low | 121 Ų | 121 | 131 Ų | 131 | 65% | 0.647 | 72% | 0.724 | S | S | * | * | cis | -168.8 | 160.6 | -14.9 | -109.7 | -3.6 | 0 | 0 | 0 | 113 | ||||
| 97 | N | 38 | Very low | 35.3 | Very low | 123 Ų | 123 | 135.2 Ų | 135.2 | 66% | 0.658 | 73% | 0.733 | S | S | * | * | trans | 81.7 | 137.4 | 137.5 | -73.3 | 8.2 | 0 | 0 | 0 | 126.1 | ||||
| 98 | N | 38.7 | Very low | 35.1 | Very low | 130 Ų | 130 | 131.3 Ų | 131.3 | 70% | 0.695 | 73% | 0.726 | S | S | * | * | trans | 75.4 | 145.1 | 141.6 | -66.6 | 13.4 | 0 | 0 | 0 | 119.7 | ||||
| 99 | N | 36.5 | Very low | 34.9 | Very low | 118 Ų | 118 | 133 Ų | 133 | 63% | 0.631 | 73% | 0.733 | S | S | * | * | cis | -167 | 169.1 | -10.3 | -129 | 32.2 | 0 | 0 | 0 | 112.9 | ||||
| 100 | D | 39.6 | Very low | 34.7 | Very low | 147 Ų | 147 | 131.8 Ų | 131.8 | 79% | 0.786 | 73% | 0.726 | S | S | * | * | trans | 81.2 | 142.9 | 148.9 | -58.3 | -34.8 | 0 | 0 | 0 | 124.7 | ||||
| 101 | N | 33.8 | Very low | 34.6 | Very low | 153 Ų | 153 | 133.2 Ų | 133.2 | 82% | 0.818 | 73% | 0.732 | S | S | * | * | trans | -97.9 | 164 | -174.9 | -84 | -43.3 | 0 | 0 | 0 | 113.2 | ||||
| 102 | Y | 35.7 | Very low | 34.6 | Very low | 209 Ų | 209 | 134.3 Ų | 134.3 | 82% | 0.82 | 73% | 0.731 | S | S | * | * | 178.3 | 146.4 | 116.4 | -111.2 | -86.7 | 0 | 0 | 0 | 114.1 | |||||
| 103 | N | 35.7 | Very low | 34.7 | Very low | 130 Ų | 130 | 132 Ų | 132 | 70% | 0.695 | 73% | 0.725 | S | S | * | * | trans | 11.4 | 133.6 | 166.2 | -62 | 2.3 | 0 | 0 | 0 | 121.5 | ||||
| 104 | S | 30.7 | Very low | 34.8 | Very low | 91 Ų | 91 | 132.5 Ų | 132.5 | 64% | 0.636 | 72% | 0.723 | S | S | * | * | cis | 99.3 | 149 | 48.3 | 99 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 105 | D | 33.4 | Very low | 34.9 | Very low | 143 Ų | 143 | 134.3 Ų | 134.3 | 77% | 0.765 | 72% | 0.724 | S | S | * | * | trans | 75.6 | 126.8 | 175.4 | -47.3 | -0.4 | 0 | 0 | 0 | 114.2 | ||||
| 106 | T | 32.5 | Very low | 35.1 | Very low | 145 Ų | 145 | 131.9 Ų | 131.9 | 89% | 0.89 | 71% | 0.714 | S | S | * | * | cis | -150.7 | 173.7 | 40.4 | 0.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 107 | H | 32.8 | Very low | 35.4 | Very low | 178 Ų | 178 | 129.8 Ų | 129.8 | 82% | 0.824 | 71% | 0.706 | S | S | * | * | trans | -86.2 | 160.5 | -164.7 | -82.6 | -88.9 | 0 | 0 | 0 | 118.5 | ||||
| 108 | S | 28.3 | Very low | 35.8 | Very low | 105 Ų | 105 | 129 Ų | 129 | 73% | 0.734 | 70% | 0.702 | S | S | * | * | trans | 101.4 | 156 | 139.3 | 80.4 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 109 | V | 30.9 | Very low | 36.3 | Very low | 129 Ų | 129 | 130 Ų | 130 | 78% | 0.782 | 70% | 0.7 | S | S | * | * | trans | 71 | 114.9 | -178.8 | -161.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 110 | T | 30.3 | Very low | 36.9 | Very low | 100 Ų | 100 | 129.1 Ų | 129.1 | 61% | 0.613 | 69% | 0.694 | S | S | * | * | cis | -154.5 | 139.1 | 25.7 | -14.8 | 0 | 0 | 0 | 0 | 111.6 | T112 | T110-T112 PolarHBondContact O-N 3Å; T110-T112 VanDerWaalsContact O-N 3.11Å | ||
| 111 | Q | 33.8 | Very low | 37.5 | Very low | 200 Ų | 200 | 129 Ų | 129 | 94% | 0.935 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | 87.7 | 161.5 | -77.7 | 178 | -22.2 | 0 | 0 | 110.1 | ||
| 112 | T | 33.6 | Very low | 38.3 | Very low | 102 Ų | 102 | 128.6 Ų | 128.6 | 63% | 0.626 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -150.6 | -11.8 | 169.9 | -35.2 | 0 | 0 | 0 | 0 | 114.1 | T110 | T110-T112 PolarHBondContact O-N 3Å; T110-T112 VanDerWaalsContact O-N 3.11Å |
| 113 | S | 38.2 | Very low | 39.2 | Very low | 80 Ų | 80 | 127.8 Ų | 127.8 | 56% | 0.559 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -87.8 | -17.1 | -169.3 | 35.7 | 0 | 0 | 0 | 0 | 116.3 | T116 | S113-T116 PolarHBondContact O-OG1 2.97Š|
| 114 | Q | 38.2 | Very low | 40.2 | Very low | 162 Ų | 162 | 125.7 Ų | 125.7 | 76% | 0.757 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -81.1 | -21.6 | -176.9 | -75.2 | 176.9 | -35.4 | 0 | 0 | 114.9 | T116 T117 | Q114-T116 VanDerWaalsContact C-N 3.3Å; Q114-T116 PolarHBondContact O-N 2.97Å; Q114-T117 PolarHBondContact O-OG1 3.05Å |
| 115 | I | 39 | Very low | 41.7 | Very low | 124 Ų | 124 | 124.8 Ų | 124.8 | 64% | 0.636 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -80.8 | -16 | 179.4 | -60.7 | 175.3 | 0 | 0 | 0 | 111.6 | ||
| 116 | T | 40.7 | Very low | 43.2 | Very low | 79 Ų | 79 | 124.9 Ų | 124.9 | 49% | 0.485 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -87.6 | -28.5 | 178.1 | 31.5 | 0 | 0 | 0 | 0 | 113.9 | S113 Q114 I120 | S113-T116 PolarHBondContact O-OG1 2.97Å; Q114-T116 VanDerWaalsContact C-N 3.3Å; Q114-T116 PolarHBondContact O-N 2.97Å; T116-I120 WeakPolarHBondContact O-CD1 3.48Å; T116-I120 VanDerWaalsContact O-CG1 3.25Å; T116-I120 WeakPolarHBondContact O-CG1 3.25Å; T116-I120 PolarHBondContact O-N 3.15Å |
| 117 | T | 42.8 | Very low | 44.2 | Very low | 78 Ų | 78 | 121.7 Ų | 121.7 | 48% | 0.479 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -65.9 | -52.4 | 179.6 | 39.8 | 0 | 0 | 0 | 0 | 111.8 | Q114 K119 I120 E121 | Q114-T117 PolarHBondContact O-OG1 3.05Å; T117-K119 PolarHBondContact O-N 3.11Å; T117-I120 PolarHBondContact O-N 3.48Å; T117-E121 PolarHBondContact O-N 2.97Å |
| 118 | D | 46.3 | Very low | 45.7 | Very low | 107 Ų | 107 | 117.6 Ų | 117.6 | 57% | 0.572 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -59.9 | -35.7 | -179.3 | -61.4 | 9.4 | 0 | 0 | 0 | 112.2 | H122 | D118-H122 WeakPolarHBondContact O-CB 3.49Å; D118-H122 PolarHBondContact O-N 2.96Å |
| 119 | K | 48.5 | Very low | 47.5 | Very low | 149 Ų | 149 | 118.2 Ų | 118.2 | 65% | 0.648 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -73.3 | -25.2 | 177.5 | -73.6 | -179.3 | -179.5 | 172.2 | 0 | 113.2 | T117 R123 | T117-K119 PolarHBondContact O-N 3.11Å; K119-R123 WeakPolarHBondContact O-CB 3.39Å; K119-R123 PolarHBondContact O-N 2.92Å |
| 120 | I | 49.2 | Very low | 49 | Very low | 101 Ų | 101 | 115.7 Ų | 115.7 | 52% | 0.518 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -81.1 | -43.8 | 175.3 | -70.2 | 165.8 | 0 | 0 | 0 | 109.9 | T116 T117 R123 N124 | T116-I120 WeakPolarHBondContact O-CD1 3.48Å; T116-I120 VanDerWaalsContact O-CG1 3.25Å; T116-I120 WeakPolarHBondContact O-CG1 3.25Å; T116-I120 PolarHBondContact O-N 3.15Å; T117-I120 PolarHBondContact O-N 3.48Å; I120-R123 PolarHBondContact O-N 3.18Å; I120-R123 VanDerWaalsContact O-N 3.15Å; I120-N124 PolarHBondContact O-N 3.16Å |
| 121 | E | 52.6 | Low | 50 | Low | 143 Ų | 143 | 113.7 Ų | 113.7 | 67% | 0.668 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -58.5 | -51.8 | 174.4 | -96.8 | -172.5 | 148.9 | 0 | 0 | 111.9 | T117 R123 N124 D125 | T117-E121 PolarHBondContact O-N 2.97Å; E121-R123 PolarHBondContact O-N 3.42Å; E121-R123 VanDerWaalsContact O-N 3.11Å; E121-N124 PolarHBondContact O-N 2.84Å; E121-D125 WeakPolarHBondContact O-CB 3.37Å; E121-D125 PolarHBondContact O-N 3.3Å |
| 122 | H | 51.5 | Low | 51.2 | Low | 146 Ų | 146 | 109.1 Ų | 109.1 | 68% | 0.676 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -59.5 | -27 | 177 | -101.2 | -26.8 | 0 | 0 | 0 | 113.9 | D118 K126 | D118-H122 WeakPolarHBondContact O-CB 3.49Å; D118-H122 PolarHBondContact O-N 2.96Å; H122-K126 WeakPolarHBondContact O-CB 3.16Å; H122-K126 PolarHBondContact O-N 3.19Å; H122-K126 VanDerWaalsContact O-N 3.16Å |
| 123 | R | 53.5 | Low | 52.2 | Low | 192 Ų | 192 | 111.1 Ų | 111.1 | 73% | 0.725 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -78.9 | -40.9 | 178.5 | -160.8 | 173.5 | -170 | 174.7 | 1.2 | 111.7 | K119 I120 E121 D125 K126 M127 | K119-R123 WeakPolarHBondContact O-CB 3.39Å; K119-R123 PolarHBondContact O-N 2.92Å; I120-R123 PolarHBondContact O-N 3.18Å; I120-R123 VanDerWaalsContact O-N 3.15Å; E121-R123 PolarHBondContact O-N 3.42Å; E121-R123 VanDerWaalsContact O-N 3.11Å; R123-D125 VanDerWaalsContact C-N 3.34Å; R123-K126 PolarHBondContact O-N 3.47Å; R123-M127 PolarHBondContact O-N 2.71Å |
| 124 | N | 57.3 | Low | 52.6 | Low | 85 Ų | 85 | 112.7 Ų | 112.7 | 46% | 0.455 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.7 | -43.2 | 172.8 | -71.1 | -16.5 | 0 | 0 | 0 | 110.8 | I120 E121 K126 M127 N128 | I120-N124 PolarHBondContact O-N 3.16Å; E121-N124 PolarHBondContact O-N 2.84Å; N124-K126 VanDerWaalsContact C-N 3.35Å; N124-K126 PolarHBondContact O-N 2.96Å; N124-M127 PolarHBondContact O-N 2.84Å; N124-M127 VanDerWaalsContact O-N 3.13Å; N124-N128 WeakPolarHBondContact O-CB 3.31Å; N124-N128 PolarHBondContact O-N 3.04Å |
| 125 | D | 62.3 | Low | 53.1 | Low | 72 Ų | 72 | 110 Ų | 110 | 39% | 0.385 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64 | -38.9 | 179.3 | -147.2 | 46 | 0 | 0 | 0 | 112.3 | E121 R123 K129 | E121-D125 WeakPolarHBondContact O-CB 3.37Å; E121-D125 PolarHBondContact O-N 3.3Å; R123-D125 VanDerWaalsContact C-N 3.34Å; D125-K129 WeakPolarHBondContact O-CB 3.35Å; D125-K129 WeakPolarHBondContact O-CD 3.39Å; D125-K129 VanDerWaalsContact O-CG 3.31Å; D125-K129 WeakPolarHBondContact O-CG 3.48Å; D125-K129 PolarHBondContact O-N 3.13Å; D125-K129 IonicContact OD2-NZ 2.71Å; D125-K129 PolarHBondContact OD2-NZ 2.65Å |
| 126 | K | 64.3 | Low | 53.5 | Low | 145 Ų | 145 | 107.8 Ų | 107.8 | 63% | 0.63 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -68.2 | -36.9 | 172.3 | -171.4 | 172.9 | -178.1 | 176 | 0 | 112.4 | H122 R123 N124 N130 | H122-K126 WeakPolarHBondContact O-CB 3.16Å; H122-K126 PolarHBondContact O-N 3.19Å; H122-K126 VanDerWaalsContact O-N 3.16Å; R123-K126 PolarHBondContact O-N 3.47Å; N124-K126 VanDerWaalsContact C-N 3.35Å; N124-K126 PolarHBondContact O-N 2.96Å; K126-N130 WeakPolarHBondContact O-CB 3.34Å; K126-N130 PolarHBondContact O-N 3.42Å |
| 127 | M | 54.1 | Low | 53.5 | Low | 79 Ų | 79 | 111.2 Ų | 111.2 | 39% | 0.389 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -68.5 | -44.1 | 176.1 | -161.9 | 174.4 | 80.7 | 0 | 0 | 111.3 | M66 R123 N124 N130 L131 | M66-M127 HydrophobicContact CE-CE 4.2Å; M66-M127 HydrophobicContact CE-SD 4.44Å; R123-M127 PolarHBondContact O-N 2.71Å; N124-M127 PolarHBondContact O-N 2.84Å; N124-M127 VanDerWaalsContact O-N 3.13Å; M127-N130 CarbonylContact O-C 3.57Å; M127-N130 PolarHBondContact O-N 2.79Å; M127-N130 VanDerWaalsContact O-N 3.14Å; M127-L131 WeakPolarHBondContact O-CB 3.46Å; M127-L131 PolarHBondContact O-N 3.14Å |
| 128 | N | 63.4 | Low | 53.4 | Low | 92 Ų | 92 | 113 Ų | 113 | 49% | 0.492 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62 | -43.7 | 174.7 | -73.7 | -16.2 | 0 | 0 | 0 | 111.8 | N124 N130 L131 L132 | N124-N128 WeakPolarHBondContact O-CB 3.31Å; N124-N128 PolarHBondContact O-N 3.04Å; N128-N130 VanDerWaalsContact C-N 3.28Å; N128-N130 PolarHBondContact O-N 3.49Å; N128-L131 PolarHBondContact O-N 3.46Å; N128-L132 WeakPolarHBondContact O-CB 3.48Å; N128-L132 PolarHBondContact O-N 3.14Å |
| 129 | K | 67.8 | Low | 52.8 | Low | 118 Ų | 118 | 114.7 Ų | 114.7 | 51% | 0.513 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.7 | -35.3 | 172.9 | -77.5 | 163.6 | 179.4 | 152.7 | 0 | 112.7 | D125 K133 | D125-K129 WeakPolarHBondContact O-CB 3.35Å; D125-K129 WeakPolarHBondContact O-CD 3.39Å; D125-K129 VanDerWaalsContact O-CG 3.31Å; D125-K129 WeakPolarHBondContact O-CG 3.48Å; D125-K129 PolarHBondContact O-N 3.13Å; D125-K129 IonicContact OD2-NZ 2.71Å; D125-K129 PolarHBondContact OD2-NZ 2.65Å; K129-K133 WeakPolarHBondContact O-CB 3.38Å; K129-K133 VanDerWaalsContact O-CG 3.24Å; K129-K133 WeakPolarHBondContact O-CG 3.46Å; K129-K133 PolarHBondContact O-N 2.85Å |
| 130 | N | 60.9 | Low | 52.3 | Low | 76 Ų | 76 | 113.8 Ų | 113.8 | 41% | 0.406 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -75.9 | -37.5 | 175.6 | -76.6 | -12.8 | 0 | 0 | 0 | 112.8 | K126 M127 N128 K133 L134 | K126-N130 WeakPolarHBondContact O-CB 3.34Å; K126-N130 PolarHBondContact O-N 3.42Å; M127-N130 CarbonylContact O-C 3.57Å; M127-N130 PolarHBondContact O-N 2.79Å; M127-N130 VanDerWaalsContact O-N 3.14Å; N128-N130 VanDerWaalsContact C-N 3.28Å; N128-N130 PolarHBondContact O-N 3.49Å; N130-K133 CarbonylContact O-C 3.6Å; N130-K133 WeakPolarHBondContact O-CB 3.45Å; N130-K133 PolarHBondContact O-N 2.83Å; N130-L134 WeakPolarHBondContact O-CB 3.34Å; N130-L134 WeakPolarHBondContact O-CG 3.47Å; N130-L134 PolarHBondContact O-N 3.27Å |
| 131 | L | 52.2 | Low | 51.7 | Low | 58 Ų | 58 | 112.8 Ų | 112.8 | 30% | 0.304 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65 | -43.3 | 174.1 | -171.1 | 67.2 | 0 | 0 | 0 | 110.5 | M66 M127 N128 K133 L134 Q135 | M66-L131 HydrophobicContact CE-CD1 4.39Å; M66-L131 HydrophobicContact SD-CD1 4.17Å; M127-L131 WeakPolarHBondContact O-CB 3.46Å; M127-L131 PolarHBondContact O-N 3.14Å; N128-L131 PolarHBondContact O-N 3.46Å; L131-K133 VanDerWaalsContact C-N 3.33Å; L131-K133 PolarHBondContact O-N 3.36Å; L131-L134 PolarHBondContact O-N 3.26Å; L131-L134 VanDerWaalsContact O-N 3.16Å; L131-Q135 WeakPolarHBondContact O-CB 3.24Å; L131-Q135 WeakPolarHBondContact O-CG 3.28Å; L131-Q135 PolarHBondContact O-N 3.1Å |
| 132 | L | 58.9 | Low | 50.8 | Low | 104 Ų | 104 | 110.9 Ų | 110.9 | 55% | 0.545 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.2 | -36.5 | 173.9 | -154.7 | 81.4 | 0 | 0 | 0 | 111.6 | N128 N136 | N128-L132 WeakPolarHBondContact O-CB 3.48Å; N128-L132 PolarHBondContact O-N 3.14Å; L132-N136 WeakPolarHBondContact O-CB 3.45Å; L132-N136 PolarHBondContact O-N 2.83Å; L132-N136 PolarHBondContact O-ND2 3.03Å; L132-N136 VanDerWaalsContact O-ND2 3.12Å |
| 133 | K | 53.7 | Low | 50.1 | Low | 144 Ų | 144 | 108.6 Ų | 108.6 | 63% | 0.626 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66.1 | -38.1 | 171 | -80 | 172.8 | -179.8 | -179.4 | 0 | 112.7 | K129 N130 L131 K137 | K129-K133 WeakPolarHBondContact O-CB 3.38Å; K129-K133 VanDerWaalsContact O-CG 3.24Å; K129-K133 WeakPolarHBondContact O-CG 3.46Å; K129-K133 PolarHBondContact O-N 2.85Å; N130-K133 CarbonylContact O-C 3.6Å; N130-K133 WeakPolarHBondContact O-CB 3.45Å; N130-K133 PolarHBondContact O-N 2.83Å; L131-K133 VanDerWaalsContact C-N 3.33Å; L131-K133 PolarHBondContact O-N 3.36Å; K133-K137 VanDerWaalsContact O-CB 3.25Å; K133-K137 WeakPolarHBondContact O-CB 3.48Å; K133-K137 PolarHBondContact O-N 3.17Å |
| 134 | L | 47.9 | Very low | 49.8 | Very low | 112 Ų | 112 | 101 Ų | 101 | 59% | 0.586 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -72 | -44.8 | 177.2 | -82.1 | 160.7 | 0 | 0 | 0 | 111.7 | N130 L131 K137 H138 | N130-L134 WeakPolarHBondContact O-CB 3.34Å; N130-L134 WeakPolarHBondContact O-CG 3.47Å; N130-L134 PolarHBondContact O-N 3.27Å; L131-L134 PolarHBondContact O-N 3.26Å; L131-L134 VanDerWaalsContact O-N 3.16Å; L134-K137 CarbonylContact O-C 3.6Å; L134-K137 PolarHBondContact O-N 3.01Å; L134-K137 VanDerWaalsContact O-N 3.17Å; L134-H138 WeakPolarHBondContact O-CB 3.41Å; L134-H138 PolarHBondContact O-N 3.22Å |
| 135 | Q | 47.1 | Very low | 50.3 | Low | 107 Ų | 107 | 99.1 Ų | 99.1 | 50% | 0.5 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.1 | -44.1 | 171.4 | -73.8 | 174 | -18.9 | 0 | 0 | 110.9 | L131 H138 K139 | L131-Q135 WeakPolarHBondContact O-CB 3.24Å; L131-Q135 WeakPolarHBondContact O-CG 3.28Å; L131-Q135 PolarHBondContact O-N 3.1Å; Q135-H138 PolarHBondContact O-N 3.16Å; Q135-K139 WeakPolarHBondContact O-CB 3.33Å; Q135-K139 PolarHBondContact O-N 3.32Å |
| 136 | N | 49.1 | Very low | 50.8 | Low | 77 Ų | 77 | 96.5 Ų | 96.5 | 41% | 0.412 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.3 | -38.7 | 172.8 | -76.8 | -32 | 0 | 0 | 0 | 111.9 | L132 K139 I140 | L132-N136 WeakPolarHBondContact O-CB 3.45Å; L132-N136 PolarHBondContact O-N 2.83Å; L132-N136 PolarHBondContact O-ND2 3.03Å; L132-N136 VanDerWaalsContact O-ND2 3.12Å; N136-K139 CarbonylContact O-C 3.53Å; N136-K139 PolarHBondContact O-N 3.28Å; N136-I140 VanDerWaalsContact O-CB 3.24Å; N136-I140 WeakPolarHBondContact O-CB 3.34Å; N136-I140 VanDerWaalsContact O-CD1 3.31Å; N136-I140 WeakPolarHBondContact O-CD1 3.41Å; N136-I140 WeakPolarHBondContact O-CG1 3.35Å; N136-I140 PolarHBondContact O-N 3.2Å |
| 137 | K | 40.9 | Very low | 51.7 | Low | 150 Ų | 150 | 95.2 Ų | 95.2 | 65% | 0.652 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -63.6 | -41.6 | 174.7 | -168.1 | 175.7 | -177.2 | -177.6 | 0 | 111.2 | K133 L134 I140 M141 | K133-K137 VanDerWaalsContact O-CB 3.25Å; K133-K137 WeakPolarHBondContact O-CB 3.48Å; K133-K137 PolarHBondContact O-N 3.17Å; L134-K137 CarbonylContact O-C 3.6Å; L134-K137 PolarHBondContact O-N 3.01Å; L134-K137 VanDerWaalsContact O-N 3.17Å; K137-I140 PolarHBondContact O-N 3.46Å; K137-M141 WeakPolarHBondContact O-CB 3.42Å; K137-M141 PolarHBondContact O-N 2.76Å |
| 138 | H | 38.8 | Very low | 52.9 | Low | 115 Ų | 115 | 94.2 Ų | 94.2 | 53% | 0.532 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -66.7 | -42.7 | 174.8 | -131.4 | -88.4 | 0 | 0 | 0 | 111.6 | L134 Q135 I140 M141 T142 | L134-H138 WeakPolarHBondContact O-CB 3.41Å; L134-H138 PolarHBondContact O-N 3.22Å; Q135-H138 PolarHBondContact O-N 3.16Å; H138-I140 VanDerWaalsContact C-N 3.3Å; H138-I140 PolarHBondContact O-N 2.9Å; H138-M141 CarbonylContact O-C 3.53Å; H138-M141 PolarHBondContact O-N 3.45Å; H138-M141 VanDerWaalsContact O-N 3.1Å; H138-T142 PolarHBondContact O-N 3.28Å; H138-T142 PolarHBondContact O-OG1 3.47Å |
| 139 | K | 34.1 | Very low | 54 | Low | 143 Ų | 143 | 91.5 Ų | 91.5 | 62% | 0.622 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -69.5 | -22.9 | 175.6 | -168.6 | 172.6 | -175.5 | 173.3 | 0 | 113.2 | Q135 N136 N143 | Q135-K139 WeakPolarHBondContact O-CB 3.33Å; Q135-K139 PolarHBondContact O-N 3.32Å; N136-K139 CarbonylContact O-C 3.53Å; N136-K139 PolarHBondContact O-N 3.28Å; K139-N143 WeakPolarHBondContact O-CB 3.36Å |
| 140 | I | 38.1 | Very low | 54.8 | Low | 130 Ų | 130 | 91.1 Ų | 91.1 | 67% | 0.667 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -78.1 | -36 | 168.8 | -73.5 | 161.5 | 0 | 0 | 0 | 109.9 | N136 K137 H138 N143 | N136-I140 VanDerWaalsContact O-CB 3.24Å; N136-I140 WeakPolarHBondContact O-CB 3.34Å; N136-I140 VanDerWaalsContact O-CD1 3.31Å; N136-I140 WeakPolarHBondContact O-CD1 3.41Å; N136-I140 WeakPolarHBondContact O-CG1 3.35Å; N136-I140 PolarHBondContact O-N 3.2Å; K137-I140 PolarHBondContact O-N 3.46Å; H138-I140 VanDerWaalsContact C-N 3.3Å; H138-I140 PolarHBondContact O-N 2.9Å; I140-N143 PolarHBondContact O-N 3.05Å |
| 141 | M | 36.7 | Very low | 56.2 | Low | 80 Ų | 80 | 88.9 Ų | 88.9 | 39% | 0.394 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -75.9 | -29.8 | 178.5 | -142.4 | 171.1 | 71.8 | 0 | 0 | 113.3 | K137 H138 N143 L352 | K137-M141 WeakPolarHBondContact O-CB 3.42Å; K137-M141 PolarHBondContact O-N 2.76Å; H138-M141 CarbonylContact O-C 3.53Å; H138-M141 PolarHBondContact O-N 3.45Å; H138-M141 VanDerWaalsContact O-N 3.1Å; M141-N143 VanDerWaalsContact C-N 3.33Å; M141-L352 HydrophobicContact CE-CD1 3.72Å; M141-L352 HydrophobicContact CE-CD2 3.96Å; M141-L352 HydrophobicContact CE-CG 4.39Å; M141-L352 HydrophobicContact SD-CD1 4.05Å |
| 142 | T | 35 | Very low | 57.8 | Low | 104 Ų | 104 | 88.7 Ų | 88.7 | 64% | 0.638 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | 2.5 | 171.8 | 59.1 | 0 | 0 | 0 | 0 | 113.7 | H138 | H138-T142 PolarHBondContact O-N 3.28Å; H138-T142 PolarHBondContact O-OG1 3.47Å |
| 143 | N | 35.1 | Very low | 59 | Low | 97 Ų | 97 | 86.2 Ų | 86.2 | 52% | 0.519 | 42% | 0.422 | S | S | . | . | trans | -105.3 | 41.8 | 177.6 | -160.9 | -0.6 | 0 | 0 | 0 | 111.8 | K139 I140 M141 S145 K274 | K139-N143 WeakPolarHBondContact O-CB 3.36Å; I140-N143 PolarHBondContact O-N 3.05Å; M141-N143 VanDerWaalsContact C-N 3.33Å; N143-S145 PolarHBondContact O-N 3.12Å; N143-K274 PolarHBondContact O-NZ 3.08Å | ||
| 144 | S | 47.9 | Very low | 60.8 | Low | 34 Ų | 34 | 81.3 Ų | 81.3 | 24% | 0.238 | 41% | 0.412 | C | S | . | . | trans | -69.3 | 109.2 | 151.6 | -177.1 | 0 | 0 | 0 | 0 | 107.1 | I146 | S144-I146 PolarHBondContact O-N 2.76Š| ||
| 145 | S | 67.6 | Low | 63 | Low | 45 Ų | 45 | 79 Ų | 79 | 32% | 0.315 | 40% | 0.401 | S | S | . | . | trans | -82.4 | 24.2 | -168.9 | 43.1 | 0 | 0 | 0 | 0 | 113.5 | N143 | N143-S145 PolarHBondContact O-N 3.12Š| ||
| 146 | I | 72.5 | Confident | 65.3 | Low | 17 Ų | 17 | 78 Ų | 78 | 9% | 0.087 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 127.5 | -175.4 | -164.9 | 164.2 | 0 | 0 | 0 | 110.7 | S144 F148 V220 E277 Y362 | S144-I146 PolarHBondContact O-N 2.76Å; I146-F148 HydrophobicContact CG2-CD2 4.49Å; I146-F148 HydrophobicContact CG2-CE2 3.68Å; I146-F148 HydrophobicContact CG2-CZ 4.33Å; I146-V220 HydrophobicContact CD1-CG1 3.81Å; I146-V220 HydrophobicContact CD1-CG2 4.05Å; I146-E277 CarbonylContact C-O 3.48Å; I146-E277 WeakPolarHBondContact CA-O 3.25Å; I146-E277 HydrophobicContact CB-CB 3.93Å; I146-E277 HydrophobicContact CD1-CB 4.06Å; I146-E277 HydrophobicContact CG1-CB 3.69Å; I146-Y362 HydrophobicContact CD1-CD1 4.08Å; I146-Y362 HydrophobicContact CD1-CE1 3.71Å; I146-Y362 HydrophobicContact CG2-CD1 4.05Å; I146-Y362 HydrophobicContact CG2-CE1 4.42Å |
| 147 | K | 83.7 | Confident | 67.5 | Low | 117 Ų | 117 | 74.3 Ų | 74.3 | 51% | 0.509 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 121.9 | -178.8 | -171.2 | -168.8 | 177.2 | -165.9 | 0 | 111.2 | M149 E277 Y278 Y279 | K147-M149 HydrophobicContact CD-CG 4.3Å; K147-M149 HydrophobicContact CD-SD 4.16Å; K147-M149 HydrophobicContact CG-CG 4.39Å; K147-E277 PolarHBondContact N-O 3.28Å; K147-Y278 HydrophobicContact CB-CD1 3.86Å; K147-Y278 HydrophobicContact CB-CE1 4.13Å; K147-Y278 HydrophobicContact CD-CD1 4.21Å; K147-Y278 HydrophobicContact CD-CE1 4.01Å; K147-Y278 HydrophobicContact CG-CD1 4.48Å; K147-Y278 CarbonylContact O-C 3.59Å; K147-Y278 WeakPolarHBondContact O-CA 3.24Å; K147-Y279 PolarHBondContact O-N 3.31Å |
| 148 | F | 79.6 | Confident | 70.1 | Confident | 59 Ų | 59 | 70.2 Ų | 70.2 | 26% | 0.259 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 136.2 | 176.3 | -70.9 | -106.8 | 0 | 0 | 0 | 111.1 | I146 Y279 T364 | I146-F148 HydrophobicContact CG2-CD2 4.49Å; I146-F148 HydrophobicContact CG2-CE2 3.68Å; I146-F148 HydrophobicContact CG2-CZ 4.33Å; F148-Y279 CarbonylContact C-O 3.57Å; F148-Y279 WeakPolarHBondContact CA-O 3.42Å; F148-Y279 AromaticContact CD1-CD1 3.41Å; F148-Y279 HydrophobicContact CD1-CD1 3.41Å; F148-Y279 VanDerWaalsContact CD1-CD1 3.41Å; F148-Y279 HydrophobicContact CD1-CE1 4.3Å; F148-Y279 HydrophobicContact CD1-CG 4.11Å; F148-Y279 AromaticContact CE1-CD1 3.53Å; F148-Y279 HydrophobicContact CE1-CD1 3.53Å; F148-Y279 HydrophobicContact CE1-CE1 4.34Å; F148-Y279 AromaticContact CE1-CG 3.96Å; F148-Y279 HydrophobicContact CE1-CG 3.96Å; F148-Y279 HydrophobicContact CG-CD1 4.39Å; F148-T364 HydrophobicContact CD1-CG2 3.74Å; F148-T364 HydrophobicContact CD2-CG2 3.29Å; F148-T364 HydrophobicContact CE1-CG2 3.65Å; F148-T364 HydrophobicContact CE2-CG2 3.13Å; F148-T364 HydrophobicContact CG-CG2 3.62Å; F148-T364 HydrophobicContact CZ-CG2 3.37Å |
| 149 | M | 86.4 | Confident | 72.8 | Confident | 35 Ų | 35 | 64.7 Ų | 64.7 | 17% | 0.172 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 124.8 | 179.7 | -57.7 | -166.4 | 67.8 | 0 | 0 | 109.1 | K147 Y151 L159 Y278 Y279 V280 S281 | K147-M149 HydrophobicContact CD-CG 4.3Å; K147-M149 HydrophobicContact CD-SD 4.16Å; K147-M149 HydrophobicContact CG-CG 4.39Å; M149-Y151 HydrophobicContact CB-CD2 4.42Å; M149-Y151 HydrophobicContact CB-CE2 3.71Å; M149-Y151 HydrophobicContact CE-CE2 4.29Å; M149-Y151 WeakPolarHBondContact CE-OH 3.47Å; M149-L159 HydrophobicContact SD-CD2 3.63Å; M149-Y278 HydrophobicContact SD-CD1 3.76Å; M149-Y278 HydrophobicContact SD-CE1 4.26Å; M149-Y279 PolarHBondContact N-O 2.86Å; M149-V280 WeakPolarHBondContact O-CA 3.42Å; M149-S281 PolarHBondContact O-N 2.86Å |
| 150 | R | 85.4 | Confident | 75.6 | Confident | 109 Ų | 109 | 63.5 Ų | 63.5 | 41% | 0.411 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 141 | 175.1 | 177.8 | 179.1 | 170.4 | 122.9 | -13.7 | 109.4 | S281 V283 | R150-S281 WeakPolarHBondContact CA-O 3.14Å; R150-V283 HydrophobicContact CG-CG2 4.39Å |
| 151 | Y | 88.6 | Confident | 78.1 | Confident | 30 Ų | 30 | 57.5 Ų | 57.5 | 12% | 0.118 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 150.7 | 176.1 | -67 | -82.7 | 0 | 0 | 0 | 109.2 | M149 D155 I157 Q158 V280 S281 V282 V283 | M149-Y151 HydrophobicContact CB-CD2 4.42Å; M149-Y151 HydrophobicContact CB-CE2 3.71Å; M149-Y151 HydrophobicContact CE-CE2 4.29Å; M149-Y151 WeakPolarHBondContact CE-OH 3.47Å; Y151-D155 HydrophobicContact CD1-CB 3.92Å; Y151-D155 HydrophobicContact CG-CB 4.48Å; Y151-I157 HydrophobicContact CD1-CG1 4.28Å; Y151-I157 HydrophobicContact CD2-CB 4.41Å; Y151-I157 HydrophobicContact CD2-CD1 4.49Å; Y151-I157 HydrophobicContact CD2-CG1 3.87Å; Y151-I157 HydrophobicContact CD2-CG2 4.2Å; Y151-I157 HydrophobicContact CE1-CG1 4.49Å; Y151-I157 HydrophobicContact CE2-CB 4.13Å; Y151-I157 HydrophobicContact CE2-CG1 4.11Å; Y151-I157 HydrophobicContact CE2-CG2 3.65Å; Y151-I157 HydrophobicContact CG-CG1 3.94Å; Y151-Q158 PolarHBondContact OH-N 3.02Å; Y151-Q158 VanDerWaalsContact OH-N 3.07Å; Y151-V280 HydrophobicContact CD2-CG1 4.25Å; Y151-S281 PolarHBondContact N-O 3.33Å; Y151-V282 WeakPolarHBondContact O-CA 3.43Å; Y151-V283 WeakPolarHBondContact O-CG2 2.98Å; Y151-V283 PolarHBondContact O-N 2.92Å |
| 152 | N | 86.4 | Confident | 80.6 | Confident | 53 Ų | 53 | 60.1 Ų | 60.1 | 28% | 0.283 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 158.8 | 167.5 | -64.2 | -23 | 0 | 0 | 0 | 109.5 | G154 D155 V283 | N152-G154 PolarHBondContact O-N 2.83Å; N152-D155 PolarHBondContact N-OD2 3.17Å; N152-D155 VanDerWaalsContact O-CB 3.29Å; N152-D155 WeakPolarHBondContact O-CB 3.27Å; N152-D155 PolarHBondContact O-N 2.79Å; N152-D155 VanDerWaalsContact O-N 3.14Å; N152-V283 CarbonylContact C-O 3.57Å; N152-V283 VanDerWaalsContact CA-O 3.31Å; N152-V283 WeakPolarHBondContact CA-O 3.45Å |
| 153 | T | 85.3 | Confident | 82.9 | Confident | 53 Ų | 53 | 56 Ų | 56 | 33% | 0.325 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | 136.4 | 171 | 48.3 | 0 | 0 | 0 | 0 | 110.7 | A213 L215 V282 V283 E284 P285 | T153-A213 CarbonylContact C-O 3.57Å; T153-A213 VanDerWaalsContact CA-O 3.3Å; T153-A213 WeakPolarHBondContact CA-O 3.46Å; T153-L215 HydrophobicContact CG2-CD2 3.58Å; T153-L215 HydrophobicContact CG2-CG 3.95Å; T153-V282 HydrophobicContact CG2-CG1 3.91Å; T153-V283 PolarHBondContact N-O 2.75Å; T153-E284 HydrophobicContact CG2-CG 4.48Å; T153-P285 WeakPolarHBondContact OG1-CD 3.3Å |
| 154 | G | 90.4 | Very high | 84.9 | Confident | 40 Ų | 40 | 54.5 Ų | 54.5 | 41% | 0.412 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.7 | -17.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | N152 A213 | N152-G154 PolarHBondContact O-N 2.83Å; G154-A213 PolarHBondContact N-O 2.79Å |
| 155 | D | 93.6 | Very high | 85.8 | Confident | 65 Ų | 65 | 61 Ų | 61 | 35% | 0.348 | 30% | 0.303 | S | S | . | . | trans | -62.4 | 165 | 177.9 | -78.5 | -15.1 | 0 | 0 | 0 | 112.8 | Y151 N152 N212 A213 | Y151-D155 HydrophobicContact CD1-CB 3.92Å; Y151-D155 HydrophobicContact CG-CB 4.48Å; N152-D155 PolarHBondContact N-OD2 3.17Å; N152-D155 VanDerWaalsContact O-CB 3.29Å; N152-D155 WeakPolarHBondContact O-CB 3.27Å; N152-D155 PolarHBondContact O-N 2.79Å; N152-D155 VanDerWaalsContact O-N 3.14Å; D155-N212 PolarHBondContact O-N 3.01Å; D155-A213 HydrophobicContact CB-CB 4.38Å; D155-A213 VanDerWaalsContact O-CB 3.3Å; D155-A213 WeakPolarHBondContact O-CB 3.45Å; D155-A213 PolarHBondContact O-N 2.8Å | ||
| 156 | T | 95.7 | Very high | 85.5 | Confident | 85 Ų | 85 | 67.4 Ų | 67.4 | 52% | 0.521 | 33% | 0.328 | S | S | . | . | trans | -100.8 | 113.1 | 168.8 | -60 | 0 | 0 | 0 | 0 | 111.1 | I209 I210 | T156-I209 HydrophobicContact CG2-CG2 3.66Å; T156-I210 CarbonylContact C-O 3.43Å; T156-I210 WeakPolarHBondContact CA-O 3.39Å | ||
| 157 | I | 95.5 | Very high | 84.8 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 133.5 | 178.4 | -53.6 | 175.7 | 0 | 0 | 0 | 108.8 | Y151 L159 I209 I210 A213 D217 V280 V282 | Y151-I157 HydrophobicContact CD1-CG1 4.28Å; Y151-I157 HydrophobicContact CD2-CB 4.41Å; Y151-I157 HydrophobicContact CD2-CD1 4.49Å; Y151-I157 HydrophobicContact CD2-CG1 3.87Å; Y151-I157 HydrophobicContact CD2-CG2 4.2Å; Y151-I157 HydrophobicContact CE1-CG1 4.49Å; Y151-I157 HydrophobicContact CE2-CB 4.13Å; Y151-I157 HydrophobicContact CE2-CG1 4.11Å; Y151-I157 HydrophobicContact CE2-CG2 3.65Å; Y151-I157 HydrophobicContact CG-CG1 3.94Å; I157-L159 HydrophobicContact CG2-CD2 3.85Å; I157-L159 HydrophobicContact CG2-CG 4.11Å; I157-I209 VanDerWaalsContact O-CA 3.29Å; I157-I209 WeakPolarHBondContact O-CA 3.4Å; I157-I210 HydrophobicContact CB-CB 3.97Å; I157-I210 HydrophobicContact CB-CD1 4.37Å; I157-I210 HydrophobicContact CB-CG1 4.29Å; I157-I210 HydrophobicContact CD1-CB 4.18Å; I157-I210 HydrophobicContact CD1-CD1 4.07Å; I157-I210 HydrophobicContact CG1-CB 4.37Å; I157-I210 HydrophobicContact CG2-CD1 4.26Å; I157-I210 PolarHBondContact N-O 2.79Å; I157-I210 PolarHBondContact O-N 3.26Å; I157-A213 HydrophobicContact CD1-CB 3.85Å; I157-A213 HydrophobicContact CG1-CB 3.93Å; I157-D217 HydrophobicContact CD1-CB 4Å; I157-V280 HydrophobicContact CD1-CG1 3.9Å; I157-V280 HydrophobicContact CG2-CG1 4.38Å; I157-V280 HydrophobicContact CG2-CG2 4.34Å; I157-V282 HydrophobicContact CD1-CG2 3.88Å |
| 158 | Q | 95.6 | Very high | 83.4 | Confident | 63 Ų | 63 | 70.2 Ų | 70.2 | 29% | 0.294 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 102.8 | 178.2 | -174.5 | 178.8 | 91.1 | 0 | 0 | 112.3 | Y151 K160 L208 I209 | Y151-Q158 PolarHBondContact OH-N 3.02Å; Y151-Q158 VanDerWaalsContact OH-N 3.07Å; Q158-K160 HydrophobicContact CG-CG 4.42Å; Q158-L208 WeakPolarHBondContact CA-O 3.3Å; Q158-I209 HydrophobicContact CG-CG1 4.41Å |
| 159 | L | 94.9 | Very high | 82.6 | Confident | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 121 | -178.3 | -47.8 | -174.9 | 0 | 0 | 0 | 110.6 | M149 I157 W174 N207 L208 Y221 Y278 V280 | M149-L159 HydrophobicContact SD-CD2 3.63Å; I157-L159 HydrophobicContact CG2-CD2 3.85Å; I157-L159 HydrophobicContact CG2-CG 4.11Å; L159-W174 HydrophobicContact CB-CH2 3.49Å; L159-W174 VanDerWaalsContact CB-CH2 3.49Å; L159-W174 HydrophobicContact CB-CZ2 4.33Å; L159-W174 HydrophobicContact CB-CZ3 3.93Å; L159-W174 HydrophobicContact CD1-CH2 4.46Å; L159-W174 HydrophobicContact CD1-CZ3 4.03Å; L159-N207 CarbonylContact O-C 3.52Å; L159-N207 WeakPolarHBondContact O-CA 3.23Å; L159-L208 HydrophobicContact CB-CB 4.34Å; L159-L208 HydrophobicContact CD1-CD2 4.26Å; L159-L208 PolarHBondContact N-O 3.46Å; L159-L208 PolarHBondContact O-N 3.32Å; L159-Y221 VanDerWaalsContact CD1-CB 3.5Å; L159-Y221 HydrophobicContact CD1-CD1 4.08Å; L159-Y221 HydrophobicContact CD1-CD2 4.14Å; L159-Y221 HydrophobicContact CD1-CG 3.64Å; L159-Y278 HydrophobicContact CB-CD1 4.34Å; L159-Y278 HydrophobicContact CB-CD2 4.2Å; L159-Y278 HydrophobicContact CB-CE1 4.44Å; L159-Y278 HydrophobicContact CB-CE2 4.32Å; L159-Y278 HydrophobicContact CB-CG 4.24Å; L159-Y278 HydrophobicContact CD1-CD2 4.32Å; L159-Y278 HydrophobicContact CD1-CG 4.19Å; L159-Y278 HydrophobicContact CD2-CD1 4.03Å; L159-Y278 HydrophobicContact CD2-CG 4.09Å; L159-Y278 HydrophobicContact CG-CG 4.41Å; L159-V280 HydrophobicContact CD1-CG2 4.09Å; L159-V280 HydrophobicContact CD2-CG2 3.81Å |
| 160 | K | 93.4 | Very high | 81.5 | Confident | 117 Ų | 117 | 77 Ų | 77 | 51% | 0.509 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 85.9 | -165.7 | -66.4 | 178.6 | -179.8 | 172.4 | 0 | 114.3 | Q158 N207 R276 Y278 | Q158-K160 HydrophobicContact CG-CG 4.42Å; K160-N207 WeakPolarHBondContact CA-OD1 3.43Å; K160-R276 PolarHBondContact O-NH1 3.13Å; K160-R276 VanDerWaalsContact O-NH1 3.08Å; K160-Y278 PolarHBondContact O-OH 3.42Å |
| 161 | C | 91.1 | Very high | 81.2 | Confident | 4 Ų | 4 | 76.8 Ų | 76.8 | 3% | 0.027 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 137.2 | 175.1 | -165.6 | 0 | 0 | 0 | 0 | 112.4 | W174 R205 W206 C223 | C161-W174 HydrophobicContact CB-CH2 4.03Å; C161-W174 HydrophobicContact CB-CZ2 3.56Å; C161-R205 WeakPolarHBondContact O-CA 3.32Å; C161-W206 WeakPolarHBondContact CA-O 3.45Å; C161-W206 WeakPolarHBondContact CB-O 3.16Å; C161-W206 PolarHBondContact N-O 2.68Å; C161-W206 VanDerWaalsContact N-O 3.11Å; C161-W206 PolarHBondContact O-N 2.97Å; C161-C223 HydrophobicContact CB-CB 3.48Å; C161-C223 VanDerWaalsContact CB-CB 3.48Å; C161-C223 WeakPolarHBondContact CB-SG 3.29Å; C161-C223 WeakPolarHBondContact SG-CB 3.46Å; C161-C223 CovalentContact SG-SG 2.02Å; C161-C223 PolarHBondContact SG-SG 2.8Å |
| 162 | R | 88.1 | Confident | 81.2 | Confident | 135 Ų | 135 | 75.5 Ų | 75.5 | 51% | 0.509 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 117.5 | 176.4 | -171.8 | 179 | -174.4 | -177.1 | -4 | 109.7 | N204 R205 | R162-N204 WeakPolarHBondContact CA-O 3.43Å; R162-R205 HydrophobicContact CG-CG 4.44Å |
| 163 | I | 83.3 | Confident | 81.4 | Confident | 18 Ų | 18 | 75.1 Ų | 75.1 | 9% | 0.092 | 37% | 0.369 | C | S | . | . | trans | -87.6 | 137.1 | -177.6 | -52.9 | -48.6 | 0 | 0 | 0 | 110.1 | Q167 V172 N204 T225 | I163-Q167 HydrophobicContact CG2-CB 3.91Å; I163-V172 HydrophobicContact CD1-CG2 4.03Å; I163-V172 HydrophobicContact CG1-CG2 3.7Å; I163-N204 HydrophobicContact CB-CB 4.38Å; I163-N204 PolarHBondContact N-O 2.55Å; I163-N204 VanDerWaalsContact O-CB 3.29Å; I163-N204 WeakPolarHBondContact O-CB 3.12Å; I163-N204 PolarHBondContact O-ND2 3.34Å; I163-T225 HydrophobicContact CD1-CG2 3.53Å; I163-T225 HydrophobicContact CG1-CG2 4.04Å; I163-T225 HydrophobicContact CG2-CG2 3.81Å | ||
| 164 | P | 77.8 | Confident | 81.8 | Confident | 66 Ų | 66 | 72.6 Ų | 72.6 | 43% | 0.429 | 35% | 0.354 | S | S | . | . | trans | -57.1 | 144 | 171.5 | -25.7 | 36 | 0 | 0 | 0 | 112.1 | E166 Q167 | P164-E166 VanDerWaalsContact C-N 3.28Å; P164-E166 PolarHBondContact O-N 2.99Å; P164-Q167 HydrophobicContact CB-CG 4.38Å; P164-Q167 WeakPolarHBondContact O-CB 3.36Å; P164-Q167 PolarHBondContact O-N 3.08Å | ||
| 165 | K | 66.4 | Low | 81.8 | Confident | 169 Ų | 169 | 72.7 Ų | 72.7 | 74% | 0.735 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -26 | -175.7 | -77.5 | -171.5 | 176.7 | -176 | 0 | 114.1 | Q167 | K165-Q167 PolarHBondContact O-N 3.24Å; K165-Q167 VanDerWaalsContact O-N 3.1Å |
| 166 | E | 62.5 | Low | 81.5 | Confident | 180 Ų | 180 | 71.3 Ų | 71.3 | 84% | 0.841 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -11.5 | 178.1 | -68.3 | 148.9 | -141.1 | 0 | 0 | 113.3 | P164 | P164-E166 VanDerWaalsContact C-N 3.28Å; P164-E166 PolarHBondContact O-N 2.99Å |
| 167 | Q | 57.7 | Low | 80.8 | Confident | 35 Ų | 35 | 71 Ų | 71 | 16% | 0.164 | 33% | 0.33 | C | S | . | . | trans | -99.8 | 93 | -173.4 | -69.6 | -176.3 | 13.8 | 0 | 0 | 110.2 | I163 P164 K165 Y169 N273 | I163-Q167 HydrophobicContact CG2-CB 3.91Å; P164-Q167 HydrophobicContact CB-CG 4.38Å; P164-Q167 WeakPolarHBondContact O-CB 3.36Å; P164-Q167 PolarHBondContact O-N 3.08Å; K165-Q167 PolarHBondContact O-N 3.24Å; K165-Q167 VanDerWaalsContact O-N 3.1Å; Q167-Y169 HydrophobicContact CB-CD2 3.47Å; Q167-Y169 VanDerWaalsContact CB-CD2 3.47Å; Q167-Y169 HydrophobicContact CB-CE2 3.47Å; Q167-Y169 VanDerWaalsContact CB-CE2 3.47Å; Q167-Y169 HydrophobicContact CB-CG 4.3Å; Q167-Y169 HydrophobicContact CG-CD2 4.03Å; Q167-Y169 HydrophobicContact CG-CE2 3.5Å; Q167-Y169 PolarHBondContact O-N 3.24Å; Q167-N273 PolarHBondContact NE2-ND2 2.88Å; Q167-N273 VanDerWaalsContact NE2-ND2 3.13Å | ||
| 168 | N | 54.1 | Low | 79.8 | Confident | 159 Ų | 159 | 73 Ų | 73 | 85% | 0.85 | 35% | 0.351 | S | S | * | . | trans | -67.7 | 38.7 | 174.4 | -90.3 | -19.7 | 0 | 0 | 0 | 113.5 | K170 | N168-K170 PolarHBondContact O-N 2.74Š| ||
| 169 | Y | 61.8 | Low | 79 | Confident | 86 Ų | 86 | 72.9 Ų | 72.9 | 34% | 0.337 | 35% | 0.352 | S | S | . | . | trans | -86.8 | 112.3 | -175.9 | -56.9 | -41.3 | 0 | 0 | 0 | 111.2 | Q167 K171 T225 S227 | Q167-Y169 HydrophobicContact CB-CD2 3.47Å; Q167-Y169 VanDerWaalsContact CB-CD2 3.47Å; Q167-Y169 HydrophobicContact CB-CE2 3.47Å; Q167-Y169 VanDerWaalsContact CB-CE2 3.47Å; Q167-Y169 HydrophobicContact CB-CG 4.3Å; Q167-Y169 HydrophobicContact CG-CD2 4.03Å; Q167-Y169 HydrophobicContact CG-CE2 3.5Å; Q167-Y169 PolarHBondContact O-N 3.24Å; Y169-K171 PolarHBondContact O-N 3.08Å; Y169-T225 HydrophobicContact CD2-CG2 3.8Å; Y169-S227 PolarHBondContact OH-OG 2.95Å | ||
| 170 | K | 64.6 | Low | 78.3 | Confident | 149 Ų | 149 | 81.4 Ų | 81.4 | 65% | 0.648 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -68.1 | -15.8 | -177 | -63.2 | -174.7 | 179.7 | -177.5 | 0 | 114.5 | N168 N231 | N168-K170 PolarHBondContact O-N 2.74Å; K170-N231 VanDerWaalsContact NZ-CG 3.29Å; K170-N231 PolarHBondContact NZ-ND2 3.45Å; K170-N231 VanDerWaalsContact NZ-ND2 3.12Å; K170-N231 PolarHBondContact NZ-OD1 3.38Å |
| 171 | K | 78.8 | Confident | 77.9 | Confident | 106 Ų | 106 | 80.3 Ų | 80.3 | 46% | 0.461 | 39% | 0.391 | S | S | . | . | trans | -140.4 | 124.7 | -175.6 | -61.3 | -174.8 | -179.1 | -177 | 0 | 111.1 | Y169 I185 G226 | Y169-K171 PolarHBondContact O-N 3.08Å; K171-I185 HydrophobicContact CB-CG2 4.38Å; K171-I185 HydrophobicContact CD-CG2 4.15Å; K171-G226 PolarHBondContact O-N 2.85Å | ||
| 172 | V | 88 | Confident | 77.8 | Confident | 2 Ų | 2 | 81.5 Ų | 81.5 | 1% | 0.012 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 143.5 | 168.5 | 169.2 | 0 | 0 | 0 | 0 | 108.8 | I163 G186 W206 C223 T225 | I163-V172 HydrophobicContact CD1-CG2 4.03Å; I163-V172 HydrophobicContact CG1-CG2 3.7Å; V172-G186 PolarHBondContact O-N 2.83Å; V172-W206 HydrophobicContact CB-CB 4.42Å; V172-W206 HydrophobicContact CB-CD2 3.79Å; V172-W206 HydrophobicContact CB-CE3 4.24Å; V172-W206 HydrophobicContact CB-CG 3.89Å; V172-W206 HydrophobicContact CG1-CB 4.05Å; V172-W206 HydrophobicContact CG1-CD2 4.38Å; V172-W206 HydrophobicContact CG1-CG 4.06Å; V172-W206 HydrophobicContact CG2-CD2 3.89Å; V172-W206 HydrophobicContact CG2-CG 3.77Å; V172-W206 HydrophobicContact CG2-CZ2 4.42Å; V172-C223 WeakPolarHBondContact CG1-SG 3.33Å; V172-T225 HydrophobicContact CG2-CG2 4.44Å |
| 173 | L | 90.9 | Very high | 78 | Confident | 45 Ų | 45 | 75.1 Ų | 75.1 | 24% | 0.236 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 125.6 | -177.6 | -172.1 | 72.6 | 0 | 0 | 0 | 108.9 | N175 P182 I185 C223 T224 | L173-N175 WeakPolarHBondContact CG-OD1 3.08Å; L173-P182 HydrophobicContact CD1-CB 3.45Å; L173-P182 VanDerWaalsContact CD1-CB 3.45Å; L173-P182 HydrophobicContact CD1-CG 3.99Å; L173-P182 HydrophobicContact CG-CB 4.16Å; L173-I185 HydrophobicContact CD1-CB 4.31Å; L173-I185 HydrophobicContact CD1-CD1 4.33Å; L173-I185 HydrophobicContact CD1-CG1 3.66Å; L173-I185 HydrophobicContact CD1-CG2 4.31Å; L173-C223 WeakPolarHBondContact O-CA 3.35Å; L173-T224 PolarHBondContact N-O 2.85Å; L173-T224 PolarHBondContact O-N 2.85Å |
| 174 | W | 93.5 | Very high | 78.5 | Confident | 1 Ų | 1 | 74.3 Ų | 74.3 | 0% | 0.004 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 127.7 | 167.4 | -79.5 | 100.7 | 0 | 0 | 0 | 109.9 | L159 C161 P182 L183 T184 W206 L208 S222 C223 Y278 | L159-W174 HydrophobicContact CB-CH2 3.49Å; L159-W174 VanDerWaalsContact CB-CH2 3.49Å; L159-W174 HydrophobicContact CB-CZ2 4.33Å; L159-W174 HydrophobicContact CB-CZ3 3.93Å; L159-W174 HydrophobicContact CD1-CH2 4.46Å; L159-W174 HydrophobicContact CD1-CZ3 4.03Å; C161-W174 HydrophobicContact CB-CH2 4.03Å; C161-W174 HydrophobicContact CB-CZ2 3.56Å; W174-P182 CarbonylContact O-C 3.56Å; W174-L183 HydrophobicContact CB-CB 4.27Å; W174-L183 HydrophobicContact CB-CD1 4.46Å; W174-L183 WeakPolarHBondContact O-CB 3.42Å; W174-L183 PolarHBondContact O-N 2.84Å; W174-T184 PolarHBondContact N-O 3.36Å; W174-T184 VanDerWaalsContact N-O 3.08Å; W174-T184 PolarHBondContact O-N 3.1Å; W174-W206 WeakPolarHBondContact CZ2-O 3.42Å; W174-L208 HydrophobicContact CD2-CB 3.83Å; W174-L208 HydrophobicContact CD2-CD2 4.31Å; W174-L208 HydrophobicContact CE3-CB 4.16Å; W174-L208 HydrophobicContact CE3-CD2 4.15Å; W174-L208 HydrophobicContact CG-CB 4.3Å; W174-L208 HydrophobicContact CG-CD1 4.49Å; W174-L208 HydrophobicContact CH2-CB 4.17Å; W174-L208 HydrophobicContact CZ2-CB 3.83Å; W174-L208 HydrophobicContact CZ3-CB 4.33Å; W174-S222 WeakPolarHBondContact CA-O 3.28Å; W174-C223 HydrophobicContact CD2-CB 3.99Å; W174-C223 HydrophobicContact CE3-CB 3.9Å; W174-C223 HydrophobicContact CH2-CB 3.8Å; W174-C223 HydrophobicContact CZ2-CB 3.89Å; W174-C223 HydrophobicContact CZ3-CB 3.8Å; W174-Y278 HydrophobicContact CH2-CD2 4.13Å; W174-Y278 AromaticContact CH2-CE2 3.75Å; W174-Y278 HydrophobicContact CH2-CE2 3.75Å; W174-Y278 AromaticContact CZ3-CD2 3.96Å; W174-Y278 HydrophobicContact CZ3-CD2 3.96Å; W174-Y278 HydrophobicContact CZ3-CE2 4.01Å |
| 175 | N | 89.8 | Confident | 79.1 | Confident | 42 Ų | 42 | 73.2 Ų | 73.2 | 23% | 0.225 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 150.5 | 177.2 | -57.5 | -38.4 | 0 | 0 | 0 | 110.1 | L173 P182 Y221 S222 | L173-N175 WeakPolarHBondContact CG-OD1 3.08Å; N175-P182 VanDerWaalsContact OD1-CB 3.31Å; N175-P182 WeakPolarHBondContact OD1-CB 3.24Å; N175-Y221 CarbonylContact O-C 3.57Å; N175-Y221 VanDerWaalsContact O-CA 3.31Å; N175-Y221 WeakPolarHBondContact O-CA 3.31Å; N175-S222 PolarHBondContact N-O 2.74Å; N175-S222 PolarHBondContact O-N 3.07Å |
| 176 | K | 88.6 | Confident | 80.1 | Confident | 35 Ų | 35 | 65.5 Ų | 65.5 | 15% | 0.152 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 133.7 | 159.6 | -163 | -170 | -175.2 | -159.7 | 0 | 107.7 | G178 L179 L183 N216 T218 V220 Y221 | K176-G178 PolarHBondContact O-N 3.34Å; K176-L179 HydrophobicContact CB-CD1 3.85Å; K176-L179 HydrophobicContact CB-CG 4.17Å; K176-L179 HydrophobicContact CD-CD1 4.42Å; K176-L179 PolarHBondContact O-N 2.78Å; K176-L183 HydrophobicContact CB-CD1 4.19Å; K176-L183 HydrophobicContact CB-CD2 4.17Å; K176-L183 HydrophobicContact CB-CG 4.36Å; K176-N216 PolarHBondContact NZ-O 3.01Å; K176-T218 VanDerWaalsContact CE-O 3.24Å; K176-T218 WeakPolarHBondContact CE-O 3.34Å; K176-T218 PolarHBondContact NZ-O 2.87Å; K176-V220 CarbonylContact C-O 3.5Å; K176-V220 WeakPolarHBondContact CA-O 3.16Å; K176-Y221 HydrophobicContact CB-CD1 4.34Å; K176-Y221 HydrophobicContact CB-CE1 4.15Å; K176-Y221 HydrophobicContact CD-CE1 4.22Å; K176-Y221 HydrophobicContact CD-CE2 4.35Å; K176-Y221 WeakPolarHBondContact CE-OH 3.37Å; K176-Y221 HydrophobicContact CG-CD1 4.3Å; K176-Y221 HydrophobicContact CG-CE1 3.94Å; K176-Y221 HydrophobicContact CG-CE2 4.15Å |
| 177 | L | 80.3 | Confident | 81.3 | Confident | 79 Ų | 79 | 63.8 Ų | 63.8 | 41% | 0.414 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | 129.7 | 172.8 | -172.5 | 66.2 | 0 | 0 | 0 | 109 | V220 S380 | L177-V220 HydrophobicContact CB-CB 3.91Å; L177-V220 HydrophobicContact CD2-CB 4.13Å; L177-V220 HydrophobicContact CD2-CG2 4.33Å; L177-V220 PolarHBondContact N-O 3.06Å; L177-S380 WeakPolarHBondContact CD2-OG 3.29Å |
| 178 | G | 75.2 | Confident | 82.7 | Confident | 43 Ų | 43 | 67.3 Ų | 67.3 | 44% | 0.443 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.6 | -0.7 | -174 | 0 | 0 | 0 | 0 | 0 | 116.2 | K176 | K176-G178 PolarHBondContact O-N 3.34Š|
| 179 | L | 78.5 | Confident | 84.6 | Confident | 60 Ų | 60 | 65 Ų | 65 | 31% | 0.314 | 32% | 0.318 | S | S | . | . | trans | -109.2 | 132.4 | 170.4 | -59.8 | -178.5 | 0 | 0 | 0 | 109.8 | K176 Y181 L183 | K176-L179 HydrophobicContact CB-CD1 3.85Å; K176-L179 HydrophobicContact CB-CG 4.17Å; K176-L179 HydrophobicContact CD-CD1 4.42Å; K176-L179 PolarHBondContact O-N 2.78Å; L179-Y181 HydrophobicContact CD1-CE2 4.31Å; L179-Y181 HydrophobicContact CD2-CE1 4.47Å; L179-Y181 PolarHBondContact O-N 3.18Å; L179-L183 HydrophobicContact CD1-CD2 3.72Å | ||
| 180 | D | 80.6 | Confident | 85.9 | Confident | 179 Ų | 179 | 66 Ų | 66 | 96% | 0.957 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -73 | -5.6 | 176.6 | -59.9 | -43.8 | 0 | 0 | 0 | 113.3 | ||
| 181 | Y | 83.9 | Confident | 87.2 | Confident | 94 Ų | 94 | 59.7 Ų | 59.7 | 37% | 0.369 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -128.6 | 148.8 | -179.6 | 62.8 | -91.7 | 0 | 0 | 0 | 111.3 | L179 I191 | L179-Y181 HydrophobicContact CD1-CE2 4.31Å; L179-Y181 HydrophobicContact CD2-CE1 4.47Å; L179-Y181 PolarHBondContact O-N 3.18Å; Y181-I191 HydrophobicContact CE2-CB 4.16Å; Y181-I191 HydrophobicContact CE2-CG1 4.43Å |
| 182 | P | 90.3 | Very high | 87.6 | Confident | 29 Ų | 29 | 59.6 Ų | 59.6 | 19% | 0.188 | 31% | 0.308 | C | S | . | . | trans | -69.9 | 150.4 | 175.9 | 30.6 | -35.6 | 0 | 0 | 0 | 111.1 | L173 W174 N175 I185 F190 | L173-P182 HydrophobicContact CD1-CB 3.45Å; L173-P182 VanDerWaalsContact CD1-CB 3.45Å; L173-P182 HydrophobicContact CD1-CG 3.99Å; L173-P182 HydrophobicContact CG-CB 4.16Å; W174-P182 CarbonylContact O-C 3.56Å; N175-P182 VanDerWaalsContact OD1-CB 3.31Å; N175-P182 WeakPolarHBondContact OD1-CB 3.24Å; P182-I185 HydrophobicContact CB-CG1 4.3Å; P182-I185 HydrophobicContact CG-CD1 3.88Å; P182-I185 HydrophobicContact CG-CG1 3.76Å; P182-F190 VanDerWaalsContact O-CB 3.23Å; P182-F190 WeakPolarHBondContact O-CB 3.33Å | ||
| 183 | L | 92.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -66.7 | -46.9 | 173.3 | -57.2 | 172.4 | 0 | 0 | 0 | 110.9 | W174 K176 L179 F190 I191 F196 L208 Y221 | W174-L183 HydrophobicContact CB-CB 4.27Å; W174-L183 HydrophobicContact CB-CD1 4.46Å; W174-L183 WeakPolarHBondContact O-CB 3.42Å; W174-L183 PolarHBondContact O-N 2.84Å; K176-L183 HydrophobicContact CB-CD1 4.19Å; K176-L183 HydrophobicContact CB-CD2 4.17Å; K176-L183 HydrophobicContact CB-CG 4.36Å; L179-L183 HydrophobicContact CD1-CD2 3.72Å; L183-F190 PolarHBondContact O-N 2.91Å; L183-I191 HydrophobicContact CB-CG2 4.43Å; L183-I191 HydrophobicContact CD2-CB 4.17Å; L183-I191 HydrophobicContact CD2-CD1 3.67Å; L183-I191 HydrophobicContact CD2-CG1 4.44Å; L183-I191 HydrophobicContact CD2-CG2 4.39Å; L183-I191 PolarHBondContact O-N 2.7Å; L183-F196 HydrophobicContact CD1-CD1 4.5Å; L183-F196 HydrophobicContact CD1-CE1 4.28Å; L183-F196 HydrophobicContact CD2-CD1 4.42Å; L183-F196 HydrophobicContact CD2-CE1 4.15Å; L183-L208 HydrophobicContact CD1-CD2 3.76Å; L183-Y221 HydrophobicContact CD1-CD1 3.56Å; L183-Y221 HydrophobicContact CD1-CE1 3.59Å |
| 184 | T | 92.7 | Very high | 87.8 | Confident | 1 Ų | 1 | 67.3 Ų | 67.3 | 1% | 0.006 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 145.1 | -179.8 | 66.9 | 0 | 0 | 0 | 0 | 111.6 | W174 N188 R189 I198 L208 | W174-T184 PolarHBondContact N-O 3.36Å; W174-T184 VanDerWaalsContact N-O 3.08Å; W174-T184 PolarHBondContact O-N 3.1Å; T184-N188 CarbonylContact C-O 3.59Å; T184-N188 WeakPolarHBondContact CA-O 3.27Å; T184-N188 WeakPolarHBondContact CB-O 3.39Å; T184-R189 HydrophobicContact CG2-CB 4.46Å; T184-R189 HydrophobicContact CG2-CG 4.36Å; T184-I198 HydrophobicContact CG2-CB 4.27Å; T184-I198 HydrophobicContact CG2-CG2 4.49Å; T184-L208 HydrophobicContact CG2-CD1 4.49Å |
| 185 | I | 89.9 | Confident | 87.9 | Confident | 44 Ų | 44 | 68.4 Ų | 68.4 | 23% | 0.226 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 107.7 | 169.7 | -44.8 | -177.3 | 0 | 0 | 0 | 108.7 | K171 L173 P182 K187 N188 F190 | K171-I185 HydrophobicContact CB-CG2 4.38Å; K171-I185 HydrophobicContact CD-CG2 4.15Å; L173-I185 HydrophobicContact CD1-CB 4.31Å; L173-I185 HydrophobicContact CD1-CD1 4.33Å; L173-I185 HydrophobicContact CD1-CG1 3.66Å; L173-I185 HydrophobicContact CD1-CG2 4.31Å; P182-I185 HydrophobicContact CB-CG1 4.3Å; P182-I185 HydrophobicContact CG-CD1 3.88Å; P182-I185 HydrophobicContact CG-CG1 3.76Å; I185-K187 PolarHBondContact O-N 3.17Å; I185-N188 PolarHBondContact N-O 2.79Å; I185-N188 PolarHBondContact O-N 2.95Å; I185-N188 VanDerWaalsContact O-N 3.12Å; I185-F190 HydrophobicContact CB-CD2 4.34Å; I185-F190 HydrophobicContact CB-CE2 3.73Å; I185-F190 HydrophobicContact CB-CZ 4.45Å; I185-F190 HydrophobicContact CD1-CD2 4.22Å; I185-F190 HydrophobicContact CD1-CE1 4.2Å; I185-F190 HydrophobicContact CD1-CE2 3.61Å; I185-F190 HydrophobicContact CD1-CZ 3.59Å; I185-F190 HydrophobicContact CG1-CD2 3.78Å; I185-F190 HydrophobicContact CG1-CE2 3.42Å; I185-F190 VanDerWaalsContact CG1-CE2 3.42Å; I185-F190 HydrophobicContact CG1-CZ 3.98Å |
| 186 | G | 87.3 | Confident | 88.1 | Confident | 6 Ų | 6 | 66.6 Ų | 66.6 | 6% | 0.062 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63.3 | -121.3 | -169.6 | 0 | 0 | 0 | 0 | 0 | 110 | V172 W206 | V172-G186 PolarHBondContact O-N 2.83Å; G186-W206 VanDerWaalsContact C-CZ3 3.4Å; G186-W206 WeakPolarHBondContact O-CZ3 3.25Å |
| 187 | K | 87.9 | Confident | 88.4 | Confident | 145 Ų | 145 | 70.2 Ų | 70.2 | 63% | 0.63 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | -9 | 175.1 | -67.4 | -174.2 | 177.4 | -175.3 | 0 | 113.6 | I185 I198 W206 | I185-K187 PolarHBondContact O-N 3.17Å; K187-I198 WeakPolarHBondContact O-CG2 3.34Å; K187-W206 HydrophobicContact CG-CZ3 4.22Å |
| 188 | N | 88.9 | Confident | 89 | Confident | 109 Ų | 109 | 67.6 Ų | 67.6 | 58% | 0.583 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 126.9 | -173 | -63.6 | 22.9 | 0 | 0 | 0 | 109.3 | T184 I185 F190 | T184-N188 CarbonylContact C-O 3.59Å; T184-N188 WeakPolarHBondContact CA-O 3.27Å; T184-N188 WeakPolarHBondContact CB-O 3.39Å; I185-N188 PolarHBondContact N-O 2.79Å; I185-N188 PolarHBondContact O-N 2.95Å; I185-N188 VanDerWaalsContact O-N 3.12Å; N188-F190 HydrophobicContact CB-CE2 3.91Å |
| 189 | R | 92.1 | Very high | 89.8 | Confident | 109 Ų | 109 | 67.9 Ų | 67.9 | 41% | 0.411 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 136.1 | 174.5 | -168 | 175.7 | 74.1 | -157.4 | 0.6 | 110.2 | T184 I191 D193 E194 F196 | T184-R189 HydrophobicContact CG2-CB 4.46Å; T184-R189 HydrophobicContact CG2-CG 4.36Å; R189-I191 HydrophobicContact CG-CG2 3.63Å; R189-I191 WeakPolarHBondContact CG-O 3.45Å; R189-I191 PolarHBondContact NE-O 3.02Å; R189-D193 PolarHBondContact NE-O 2.84Å; R189-E194 PolarHBondContact NH1-O 2.68Å; R189-E194 VanDerWaalsContact NH1-O 3.12Å; R189-F196 WeakPolarHBondContact CD-O 3.28Å; R189-F196 PolarHBondContact NH1-O 3.47Å |
| 190 | F | 90.7 | Very high | 90.3 | Very high | 107 Ų | 107 | 67.4 Ų | 67.4 | 47% | 0.469 | 33% | 0.328 | S | S | . | . | trans | -116.3 | -27 | 178.2 | -76.9 | -103.3 | 0 | 0 | 0 | 111.6 | P182 L183 I185 N188 | P182-F190 VanDerWaalsContact O-CB 3.23Å; P182-F190 WeakPolarHBondContact O-CB 3.33Å; L183-F190 PolarHBondContact O-N 2.91Å; I185-F190 HydrophobicContact CB-CD2 4.34Å; I185-F190 HydrophobicContact CB-CE2 3.73Å; I185-F190 HydrophobicContact CB-CZ 4.45Å; I185-F190 HydrophobicContact CD1-CD2 4.22Å; I185-F190 HydrophobicContact CD1-CE1 4.2Å; I185-F190 HydrophobicContact CD1-CE2 3.61Å; I185-F190 HydrophobicContact CD1-CZ 3.59Å; I185-F190 HydrophobicContact CG1-CD2 3.78Å; I185-F190 HydrophobicContact CG1-CE2 3.42Å; I185-F190 VanDerWaalsContact CG1-CE2 3.42Å; I185-F190 HydrophobicContact CG1-CZ 3.98Å; N188-F190 HydrophobicContact CB-CE2 3.91Å | ||
| 191 | I | 90.3 | Very high | 90.6 | Very high | 17 Ų | 17 | 63.7 Ų | 63.7 | 9% | 0.087 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -65.1 | 130.8 | 167 | -171.8 | 168.8 | 0 | 0 | 0 | 110.4 | Y181 L183 R189 D193 F196 | Y181-I191 HydrophobicContact CE2-CB 4.16Å; Y181-I191 HydrophobicContact CE2-CG1 4.43Å; L183-I191 HydrophobicContact CB-CG2 4.43Å; L183-I191 HydrophobicContact CD2-CB 4.17Å; L183-I191 HydrophobicContact CD2-CD1 3.67Å; L183-I191 HydrophobicContact CD2-CG1 4.44Å; L183-I191 HydrophobicContact CD2-CG2 4.39Å; L183-I191 PolarHBondContact O-N 2.7Å; R189-I191 HydrophobicContact CG-CG2 3.63Å; R189-I191 WeakPolarHBondContact CG-O 3.45Å; R189-I191 PolarHBondContact NE-O 3.02Å; I191-D193 VanDerWaalsContact C-N 3.26Å; I191-D193 HydrophobicContact CD1-CB 4.11Å; I191-D193 HydrophobicContact CG1-CB 3.98Å; I191-D193 PolarHBondContact O-N 3.13Å; I191-F196 HydrophobicContact CD1-CD1 4.13Å; I191-F196 HydrophobicContact CD1-CD2 3.83Å; I191-F196 HydrophobicContact CD1-CE1 3.95Å; I191-F196 HydrophobicContact CD1-CE2 3.65Å; I191-F196 HydrophobicContact CD1-CG 4.08Å; I191-F196 HydrophobicContact CD1-CZ 3.73Å; I191-F196 HydrophobicContact CG2-CB 3.68Å; I191-F196 HydrophobicContact CG2-CD1 4.15Å; I191-F196 HydrophobicContact CG2-CD2 4.35Å; I191-F196 HydrophobicContact CG2-CG 3.82Å |
| 192 | P | 88.2 | Confident | 90.6 | Very high | 104 Ų | 104 | 64.1 Ų | 64.1 | 68% | 0.675 | 32% | 0.317 | S | S | * | . | trans | -70.7 | -21.6 | -179.8 | 27 | -35.4 | 0 | 0 | 0 | 113.2 | E194 | P192-E194 PolarHBondContact O-N 2.66Š| ||
| 193 | D | 90 | Very high | 90.1 | Very high | 46 Ų | 46 | 67.4 Ų | 67.4 | 25% | 0.246 | 34% | 0.339 | C | S | . | . | trans | -62.8 | 121.3 | -179.9 | -170.3 | -25.5 | 0 | 0 | 0 | 111.8 | R189 I191 R195 F196 | R189-D193 PolarHBondContact NE-O 2.84Å; I191-D193 VanDerWaalsContact C-N 3.26Å; I191-D193 HydrophobicContact CD1-CB 4.11Å; I191-D193 HydrophobicContact CG1-CB 3.98Å; I191-D193 PolarHBondContact O-N 3.13Å; D193-R195 VanDerWaalsContact C-N 3.26Å; D193-R195 PolarHBondContact O-N 3.28Å; D193-R195 VanDerWaalsContact OD1-CB 3.23Å; D193-R195 WeakPolarHBondContact OD1-CB 3.23Å; D193-R195 VanDerWaalsContact OD1-CG 3.22Å; D193-R195 WeakPolarHBondContact OD1-CG 3.39Å; D193-R195 PolarHBondContact OD1-N 3.02Å; D193-R195 IonicContact OD1-NE 3.16Å; D193-R195 PolarHBondContact OD1-NE 2.89Å; D193-R195 VanDerWaalsContact OD1-NE 3.16Å; D193-R195 IonicContact OD2-CZ 3.25Å; D193-R195 VanDerWaalsContact OD2-CZ 3.24Å; D193-R195 IonicContact OD2-NE 2.96Å; D193-R195 PolarHBondContact OD2-NE 2.96Å; D193-R195 IonicContact OD2-NH2 2.75Å; D193-R195 PolarHBondContact OD2-NH2 3.26Å; D193-F196 HydrophobicContact CB-CD2 3.72Å; D193-F196 HydrophobicContact CB-CE2 3.99Å; D193-F196 PolarHBondContact O-N 2.91Å | ||
| 194 | E | 92.7 | Very high | 89.8 | Confident | 163 Ų | 163 | 68.1 Ų | 68.1 | 76% | 0.762 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -22.2 | -176.8 | -62.7 | -165.1 | 157 | 0 | 0 | 114.2 | R189 P192 F196 | R189-E194 PolarHBondContact NH1-O 2.68Å; R189-E194 VanDerWaalsContact NH1-O 3.12Å; P192-E194 PolarHBondContact O-N 2.66Å; E194-F196 PolarHBondContact O-N 3.24Å |
| 195 | R | 95.5 | Very high | 89.7 | Confident | 25 Ų | 25 | 74 Ų | 74 | 9% | 0.094 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -21 | -179.9 | -61.2 | 178 | -52.2 | 122 | 5.4 | 113.2 | D193 I210 S211 N212 D217 | D193-R195 VanDerWaalsContact C-N 3.26Å; D193-R195 PolarHBondContact O-N 3.28Å; D193-R195 VanDerWaalsContact OD1-CB 3.23Å; D193-R195 WeakPolarHBondContact OD1-CB 3.23Å; D193-R195 VanDerWaalsContact OD1-CG 3.22Å; D193-R195 WeakPolarHBondContact OD1-CG 3.39Å; D193-R195 PolarHBondContact OD1-N 3.02Å; D193-R195 IonicContact OD1-NE 3.16Å; D193-R195 PolarHBondContact OD1-NE 2.89Å; D193-R195 VanDerWaalsContact OD1-NE 3.16Å; D193-R195 IonicContact OD2-CZ 3.25Å; D193-R195 VanDerWaalsContact OD2-CZ 3.24Å; D193-R195 IonicContact OD2-NE 2.96Å; D193-R195 PolarHBondContact OD2-NE 2.96Å; D193-R195 IonicContact OD2-NH2 2.75Å; D193-R195 PolarHBondContact OD2-NH2 3.26Å; R195-I210 HydrophobicContact CB-CG2 4.16Å; R195-I210 WeakPolarHBondContact O-CA 3.48Å; R195-S211 WeakPolarHBondContact CA-OG 3.48Å; R195-S211 WeakPolarHBondContact CB-O 3.37Å; R195-S211 WeakPolarHBondContact CD-O 3.47Å; R195-S211 PolarHBondContact NH1-O 2.9Å; R195-S211 PolarHBondContact O-N 2.84Å; R195-S211 PolarHBondContact O-OG 3.17Å; R195-N212 PolarHBondContact NH1-O 3.16Å; R195-D217 IonicContact CZ-OD1 3.24Å; R195-D217 IonicContact CZ-OD2 3.65Å; R195-D217 IonicContact NH1-OD1 3.49Å; R195-D217 IonicContact NH1-OD2 3.62Å; R195-D217 PolarHBondContact NH1-OD2 2.89Å; R195-D217 IonicContact NH2-OD1 2.71Å; R195-D217 PolarHBondContact NH2-OD1 3.09Å; R195-D217 IonicContact NH2-OD2 2.8Å; R195-D217 PolarHBondContact NH2-OD2 2.84Å |
| 196 | F | 94.6 | Very high | 89.7 | Confident | 4 Ų | 4 | 73 Ų | 73 | 2% | 0.018 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 120 | -178.2 | -72.2 | -108.4 | 0 | 0 | 0 | 110.9 | L183 R189 I191 D193 E194 L208 I209 I210 Y221 | L183-F196 HydrophobicContact CD1-CD1 4.5Å; L183-F196 HydrophobicContact CD1-CE1 4.28Å; L183-F196 HydrophobicContact CD2-CD1 4.42Å; L183-F196 HydrophobicContact CD2-CE1 4.15Å; R189-F196 WeakPolarHBondContact CD-O 3.28Å; R189-F196 PolarHBondContact NH1-O 3.47Å; I191-F196 HydrophobicContact CD1-CD1 4.13Å; I191-F196 HydrophobicContact CD1-CD2 3.83Å; I191-F196 HydrophobicContact CD1-CE1 3.95Å; I191-F196 HydrophobicContact CD1-CE2 3.65Å; I191-F196 HydrophobicContact CD1-CG 4.08Å; I191-F196 HydrophobicContact CD1-CZ 3.73Å; I191-F196 HydrophobicContact CG2-CB 3.68Å; I191-F196 HydrophobicContact CG2-CD1 4.15Å; I191-F196 HydrophobicContact CG2-CD2 4.35Å; I191-F196 HydrophobicContact CG2-CG 3.82Å; D193-F196 HydrophobicContact CB-CD2 3.72Å; D193-F196 HydrophobicContact CB-CE2 3.99Å; D193-F196 PolarHBondContact O-N 2.91Å; E194-F196 PolarHBondContact O-N 3.24Å; F196-L208 HydrophobicContact CD1-CD1 4.37Å; F196-I209 WeakPolarHBondContact CA-O 3.23Å; F196-I210 HydrophobicContact CD1-CD1 4.07Å; F196-I210 HydrophobicContact CD1-CG1 3.81Å; F196-I210 HydrophobicContact CD2-CG2 3.98Å; F196-I210 HydrophobicContact CE1-CD1 3.41Å; F196-I210 VanDerWaalsContact CE1-CD1 3.41Å; F196-I210 HydrophobicContact CE1-CG1 3.66Å; F196-I210 HydrophobicContact CE1-CG2 4.27Å; F196-I210 HydrophobicContact CE2-CG2 3.71Å; F196-I210 HydrophobicContact CG-CG1 4.35Å; F196-I210 HydrophobicContact CG-CG2 4.36Å; F196-I210 HydrophobicContact CZ-CD1 3.73Å; F196-I210 HydrophobicContact CZ-CG1 4.09Å; F196-I210 HydrophobicContact CZ-CG2 3.86Å; F196-Y221 HydrophobicContact CE1-CE1 4.11Å |
| 197 | E | 94 | Very high | 90 | Very high | 111 Ų | 111 | 73.3 Ų | 73.3 | 52% | 0.519 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 147.7 | 177.9 | -161.7 | -150.2 | 130.5 | 0 | 0 | 111 | I209 | E197-I209 HydrophobicContact CB-CB 4.33Å; E197-I209 PolarHBondContact N-O 2.9Å; E197-I209 PolarHBondContact O-N 3.3Å |
| 198 | I | 92.5 | Very high | 90.4 | Very high | 24 Ų | 24 | 66.4 Ų | 66.4 | 12% | 0.123 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 98.5 | 177.3 | -175.6 | 61 | 0 | 0 | 0 | 111.8 | T184 K187 H200 W206 | T184-I198 HydrophobicContact CG2-CB 4.27Å; T184-I198 HydrophobicContact CG2-CG2 4.49Å; K187-I198 WeakPolarHBondContact O-CG2 3.34Å; I198-H200 PolarHBondContact O-N 3.08Å; I198-H200 VanDerWaalsContact O-N 3.14Å; I198-W206 HydrophobicContact CD1-CB 4.47Å; I198-W206 HydrophobicContact CD1-CE3 4.24Å; I198-W206 HydrophobicContact CG1-CE3 4.09Å |
| 199 | Q | 92.8 | Very high | 90.7 | Very high | 49 Ų | 49 | 62.1 Ų | 62.1 | 23% | 0.229 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 92 | 175.6 | -178.6 | -176.9 | 100.9 | 0 | 0 | 110.5 | K201 N207 I209 | Q199-K201 HydrophobicContact CG-CD 4.43Å; Q199-K201 HydrophobicContact CG-CG 4.37Å; Q199-N207 HydrophobicContact CB-CB 4.26Å; Q199-N207 PolarHBondContact N-O 3.07Å; Q199-N207 PolarHBondContact O-N 3.35Å; Q199-N207 PolarHBondContact OE1-ND2 3.41Å; Q199-I209 HydrophobicContact CB-CD1 3.74Å; Q199-I209 HydrophobicContact CB-CG1 4.38Å |
| 200 | H | 89.2 | Confident | 90.9 | Very high | 50 Ų | 50 | 56.9 Ų | 56.9 | 23% | 0.231 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 116.9 | 169.8 | 178.6 | -130.2 | 0 | 0 | 0 | 111.4 | I198 R205 W206 | I198-H200 PolarHBondContact O-N 3.08Å; I198-H200 VanDerWaalsContact O-N 3.14Å; H200-R205 WeakPolarHBondContact CA-O 2.98Å; H200-R205 PolarHBondContact CD2-O 3.26Å; H200-W206 HydrophobicContact CB-CD2 4.28Å; H200-W206 HydrophobicContact CB-CE3 3.84Å; H200-W206 HydrophobicContact CB-CH2 4.37Å; H200-W206 HydrophobicContact CB-CZ3 3.87Å; H200-W206 AromaticContact CD2-CD1 3.92Å; H200-W206 AromaticContact CD2-CD2 3.44Å; H200-W206 VanDerWaalsContact CD2-CD2 3.44Å; H200-W206 AromaticContact CD2-CE2 3.22Å; H200-W206 AromaticContact CD2-CE3 3.87Å; H200-W206 AromaticContact CD2-CG 3.92Å; H200-W206 AromaticContact CD2-CH2 3.95Å; H200-W206 AromaticContact CD2-CZ2 3.53Å; H200-W206 AromaticContact CD2-NE1 3.51Å; H200-W206 AromaticContact CE1-CZ2 3.89Å; H200-W206 AromaticContact CG-CE2 3.96Å; H200-W206 AromaticContact CG-CE3 3.95Å; H200-W206 AromaticContact CG-CH2 3.88Å; H200-W206 AromaticContact CG-CZ2 3.93Å; H200-W206 AromaticContact CG-CZ3 3.86Å; H200-W206 AromaticContact NE2-CE2 3.51Å; H200-W206 AromaticContact NE2-CZ2 3.54Å; H200-W206 AromaticContact NE2-NE1 3.62Å |
| 201 | K | 87.7 | Confident | 91.2 | Very high | 101 Ų | 101 | 54.2 Ų | 54.2 | 44% | 0.439 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 104.2 | 171 | -77.7 | 171.7 | 173.1 | 163.5 | 0 | 108.7 | Q199 R205 | Q199-K201 HydrophobicContact CG-CD 4.43Å; Q199-K201 HydrophobicContact CG-CG 4.37Å; K201-R205 HydrophobicContact CB-CB 4.03Å; K201-R205 PolarHBondContact N-O 2.84Å; K201-R205 WeakPolarHBondContact O-CB 3.48Å; K201-R205 PolarHBondContact O-N 3.16Å |
| 202 | P | 82.3 | Confident | 91.4 | Very high | 102 Ų | 102 | 57.9 Ų | 57.9 | 66% | 0.662 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | 153.8 | -179.7 | -27.2 | 34.6 | 0 | 0 | 0 | 113.4 | ||
| 203 | P | 80.5 | Confident | 91.5 | Very high | 98 Ų | 98 | 53 Ų | 53 | 64% | 0.636 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -84.5 | -13.8 | -1.3 | 34 | -35.7 | 0 | 0 | 0 | 113.8 | ||
| 204 | N | 86.2 | Confident | 91.5 | Very high | 16 Ų | 16 | 54.2 Ų | 54.2 | 9% | 0.086 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -148.2 | 12.1 | -161.2 | 71.4 | -15.6 | 0 | 0 | 0 | 117 | R162 I163 | R162-N204 WeakPolarHBondContact CA-O 3.43Å; I163-N204 HydrophobicContact CB-CB 4.38Å; I163-N204 PolarHBondContact N-O 2.55Å; I163-N204 VanDerWaalsContact O-CB 3.29Å; I163-N204 WeakPolarHBondContact O-CB 3.12Å; I163-N204 PolarHBondContact O-ND2 3.34Å |
| 205 | R | 89.4 | Confident | 90.9 | Very high | 125 Ų | 125 | 50.3 Ų | 50.3 | 47% | 0.472 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 118.9 | 177.2 | -61.5 | 176.8 | -177.7 | -178.4 | 0 | 109.8 | C161 R162 H200 K201 | C161-R205 WeakPolarHBondContact O-CA 3.32Å; R162-R205 HydrophobicContact CG-CG 4.44Å; H200-R205 WeakPolarHBondContact CA-O 2.98Å; H200-R205 PolarHBondContact CD2-O 3.26Å; K201-R205 HydrophobicContact CB-CB 4.03Å; K201-R205 PolarHBondContact N-O 2.84Å; K201-R205 WeakPolarHBondContact O-CB 3.48Å; K201-R205 PolarHBondContact O-N 3.16Å |
| 206 | W | 91.1 | Very high | 90.4 | Very high | 23 Ų | 23 | 53.9 Ų | 53.9 | 9% | 0.087 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 103.6 | 178.4 | -66 | 80.8 | 0 | 0 | 0 | 106.9 | C161 V172 W174 G186 K187 I198 H200 | C161-W206 WeakPolarHBondContact CA-O 3.45Å; C161-W206 WeakPolarHBondContact CB-O 3.16Å; C161-W206 PolarHBondContact N-O 2.68Å; C161-W206 VanDerWaalsContact N-O 3.11Å; C161-W206 PolarHBondContact O-N 2.97Å; V172-W206 HydrophobicContact CB-CB 4.42Å; V172-W206 HydrophobicContact CB-CD2 3.79Å; V172-W206 HydrophobicContact CB-CE3 4.24Å; V172-W206 HydrophobicContact CB-CG 3.89Å; V172-W206 HydrophobicContact CG1-CB 4.05Å; V172-W206 HydrophobicContact CG1-CD2 4.38Å; V172-W206 HydrophobicContact CG1-CG 4.06Å; V172-W206 HydrophobicContact CG2-CD2 3.89Å; V172-W206 HydrophobicContact CG2-CG 3.77Å; V172-W206 HydrophobicContact CG2-CZ2 4.42Å; W174-W206 WeakPolarHBondContact CZ2-O 3.42Å; G186-W206 VanDerWaalsContact C-CZ3 3.4Å; G186-W206 WeakPolarHBondContact O-CZ3 3.25Å; K187-W206 HydrophobicContact CG-CZ3 4.22Å; I198-W206 HydrophobicContact CD1-CB 4.47Å; I198-W206 HydrophobicContact CD1-CE3 4.24Å; I198-W206 HydrophobicContact CG1-CE3 4.09Å; H200-W206 HydrophobicContact CB-CD2 4.28Å; H200-W206 HydrophobicContact CB-CE3 3.84Å; H200-W206 HydrophobicContact CB-CH2 4.37Å; H200-W206 HydrophobicContact CB-CZ3 3.87Å; H200-W206 AromaticContact CD2-CD1 3.92Å; H200-W206 AromaticContact CD2-CD2 3.44Å; H200-W206 VanDerWaalsContact CD2-CD2 3.44Å; H200-W206 AromaticContact CD2-CE2 3.22Å; H200-W206 AromaticContact CD2-CE3 3.87Å; H200-W206 AromaticContact CD2-CG 3.92Å; H200-W206 AromaticContact CD2-CH2 3.95Å; H200-W206 AromaticContact CD2-CZ2 3.53Å; H200-W206 AromaticContact CD2-NE1 3.51Å; H200-W206 AromaticContact CE1-CZ2 3.89Å; H200-W206 AromaticContact CG-CE2 3.96Å; H200-W206 AromaticContact CG-CE3 3.95Å; H200-W206 AromaticContact CG-CH2 3.88Å; H200-W206 AromaticContact CG-CZ2 3.93Å; H200-W206 AromaticContact CG-CZ3 3.86Å; H200-W206 AromaticContact NE2-CE2 3.51Å; H200-W206 AromaticContact NE2-CZ2 3.54Å; H200-W206 AromaticContact NE2-NE1 3.62Å |
| 207 | N | 93.7 | Very high | 90.2 | Very high | 12 Ų | 12 | 54 Ų | 54 | 6% | 0.064 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 124.1 | -178.4 | -57 | -27.6 | 0 | 0 | 0 | 109.6 | L159 K160 Q199 | L159-N207 CarbonylContact O-C 3.52Å; L159-N207 WeakPolarHBondContact O-CA 3.23Å; K160-N207 WeakPolarHBondContact CA-OD1 3.43Å; Q199-N207 HydrophobicContact CB-CB 4.26Å; Q199-N207 PolarHBondContact N-O 3.07Å; Q199-N207 PolarHBondContact O-N 3.35Å; Q199-N207 PolarHBondContact OE1-ND2 3.41Å |
| 208 | L | 95.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 131.7 | 165.8 | -173.5 | 69.2 | 0 | 0 | 0 | 108.3 | Q158 L159 W174 L183 T184 F196 I210 Y221 | Q158-L208 WeakPolarHBondContact CA-O 3.3Å; L159-L208 HydrophobicContact CB-CB 4.34Å; L159-L208 HydrophobicContact CD1-CD2 4.26Å; L159-L208 PolarHBondContact N-O 3.46Å; L159-L208 PolarHBondContact O-N 3.32Å; W174-L208 HydrophobicContact CD2-CB 3.83Å; W174-L208 HydrophobicContact CD2-CD2 4.31Å; W174-L208 HydrophobicContact CE3-CB 4.16Å; W174-L208 HydrophobicContact CE3-CD2 4.15Å; W174-L208 HydrophobicContact CG-CB 4.3Å; W174-L208 HydrophobicContact CG-CD1 4.49Å; W174-L208 HydrophobicContact CH2-CB 4.17Å; W174-L208 HydrophobicContact CZ2-CB 3.83Å; W174-L208 HydrophobicContact CZ3-CB 4.33Å; L183-L208 HydrophobicContact CD1-CD2 3.76Å; T184-L208 HydrophobicContact CG2-CD1 4.49Å; F196-L208 HydrophobicContact CD1-CD1 4.37Å; L208-I210 HydrophobicContact CD2-CD1 4.44Å; L208-I210 HydrophobicContact CD2-CG1 4.47Å; L208-I210 HydrophobicContact CG-CG1 4.43Å; L208-Y221 HydrophobicContact CD2-CD1 3.76Å; L208-Y221 HydrophobicContact CD2-CE1 4.09Å |
| 209 | I | 96.4 | Very high | 89.4 | Confident | 18 Ų | 18 | 49.1 Ų | 49.1 | 9% | 0.092 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 135.2 | 173.5 | -58.1 | 178.7 | 0 | 0 | 0 | 107.4 | T156 I157 Q158 F196 E197 Q199 | T156-I209 HydrophobicContact CG2-CG2 3.66Å; I157-I209 VanDerWaalsContact O-CA 3.29Å; I157-I209 WeakPolarHBondContact O-CA 3.4Å; Q158-I209 HydrophobicContact CG-CG1 4.41Å; F196-I209 WeakPolarHBondContact CA-O 3.23Å; E197-I209 HydrophobicContact CB-CB 4.33Å; E197-I209 PolarHBondContact N-O 2.9Å; E197-I209 PolarHBondContact O-N 3.3Å; Q199-I209 HydrophobicContact CB-CD1 3.74Å; Q199-I209 HydrophobicContact CB-CG1 4.38Å |
| 210 | I | 96.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 112.1 | 170.4 | -42.5 | 170.5 | 0 | 0 | 0 | 106.3 | T156 I157 R195 F196 L208 Y221 | T156-I210 CarbonylContact C-O 3.43Å; T156-I210 WeakPolarHBondContact CA-O 3.39Å; I157-I210 HydrophobicContact CB-CB 3.97Å; I157-I210 HydrophobicContact CB-CD1 4.37Å; I157-I210 HydrophobicContact CB-CG1 4.29Å; I157-I210 HydrophobicContact CD1-CB 4.18Å; I157-I210 HydrophobicContact CD1-CD1 4.07Å; I157-I210 HydrophobicContact CG1-CB 4.37Å; I157-I210 HydrophobicContact CG2-CD1 4.26Å; I157-I210 PolarHBondContact N-O 2.79Å; I157-I210 PolarHBondContact O-N 3.26Å; R195-I210 HydrophobicContact CB-CG2 4.16Å; R195-I210 WeakPolarHBondContact O-CA 3.48Å; F196-I210 HydrophobicContact CD1-CD1 4.07Å; F196-I210 HydrophobicContact CD1-CG1 3.81Å; F196-I210 HydrophobicContact CD2-CG2 3.98Å; F196-I210 HydrophobicContact CE1-CD1 3.41Å; F196-I210 VanDerWaalsContact CE1-CD1 3.41Å; F196-I210 HydrophobicContact CE1-CG1 3.66Å; F196-I210 HydrophobicContact CE1-CG2 4.27Å; F196-I210 HydrophobicContact CE2-CG2 3.71Å; F196-I210 HydrophobicContact CG-CG1 4.35Å; F196-I210 HydrophobicContact CG-CG2 4.36Å; F196-I210 HydrophobicContact CZ-CD1 3.73Å; F196-I210 HydrophobicContact CZ-CG1 4.09Å; F196-I210 HydrophobicContact CZ-CG2 3.86Å; L208-I210 HydrophobicContact CD2-CD1 4.44Å; L208-I210 HydrophobicContact CD2-CG1 4.47Å; L208-I210 HydrophobicContact CG-CG1 4.43Å; I210-Y221 HydrophobicContact CD1-CE1 3.91Å |
| 211 | S | 96.2 | Very high | 89.3 | Confident | 51 Ų | 51 | 44.8 Ų | 44.8 | 36% | 0.357 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -80.7 | 155.3 | 176.3 | 59.1 | 0 | 0 | 0 | 0 | 111.1 | R195 | R195-S211 WeakPolarHBondContact CA-OG 3.48Å; R195-S211 WeakPolarHBondContact CB-O 3.37Å; R195-S211 WeakPolarHBondContact CD-O 3.47Å; R195-S211 PolarHBondContact NH1-O 2.9Å; R195-S211 PolarHBondContact O-N 2.84Å; R195-S211 PolarHBondContact O-OG 3.17Å |
| 212 | N | 93.8 | Very high | 89.4 | Confident | 93 Ų | 93 | 41.1 Ų | 41.1 | 50% | 0.497 | 23% | 0.226 | S | C | . | . | S | Bend | trans | 49.1 | 66 | 176.8 | -174.6 | 32.6 | 0 | 0 | 0 | 112.7 | D155 R195 Q214 | D155-N212 PolarHBondContact O-N 3.01Å; R195-N212 PolarHBondContact NH1-O 3.16Å; N212-Q214 PolarHBondContact O-N 3.2Å |
| 213 | A | 92.1 | Very high | 89.9 | Confident | 2 Ų | 2 | 36.4 Ų | 36.4 | 2% | 0.017 | 20% | 0.195 | C | C | . | . | trans | -53.1 | 134.4 | -175 | 0 | 0 | 0 | 0 | 0 | 112.8 | T153 G154 D155 I157 V282 | T153-A213 CarbonylContact C-O 3.57Å; T153-A213 VanDerWaalsContact CA-O 3.3Å; T153-A213 WeakPolarHBondContact CA-O 3.46Å; G154-A213 PolarHBondContact N-O 2.79Å; D155-A213 HydrophobicContact CB-CB 4.38Å; D155-A213 VanDerWaalsContact O-CB 3.3Å; D155-A213 WeakPolarHBondContact O-CB 3.45Å; D155-A213 PolarHBondContact O-N 2.8Å; I157-A213 HydrophobicContact CD1-CB 3.85Å; I157-A213 HydrophobicContact CG1-CB 3.93Å; A213-V282 HydrophobicContact CB-CG1 3.86Å; A213-V282 HydrophobicContact CB-CG2 4.16Å | ||
| 214 | Q | 89.7 | Confident | 90.2 | Very high | 71 Ų | 71 | 33.7 Ų | 33.7 | 33% | 0.332 | 18% | 0.177 | S | C | . | . | trans | -118.6 | 155 | 179.2 | -71 | 178.5 | 10.3 | 0 | 0 | 110.3 | N212 N216 D217 V282 | N212-Q214 PolarHBondContact O-N 3.2Å; Q214-N216 WeakPolarHBondContact CB-OD1 3.28Å; Q214-N216 PolarHBondContact O-N 2.92Å; Q214-N216 VanDerWaalsContact O-N 3.16Å; Q214-N216 PolarHBondContact OE1-ND2 2.83Å; Q214-N216 VanDerWaalsContact OE1-ND2 3.16Å; Q214-N216 PolarHBondContact OE1-OD1 3.15Å; Q214-D217 PolarHBondContact N-OD2 3.46Å; Q214-D217 VanDerWaalsContact O-CB 3.3Å; Q214-D217 WeakPolarHBondContact O-CB 3.34Å; Q214-D217 PolarHBondContact O-N 3.22Å; Q214-V282 WeakPolarHBondContact O-CB 3.41Å; Q214-V282 WeakPolarHBondContact O-CG1 3.46Å; Q214-V282 WeakPolarHBondContact O-CG2 3.07Å | ||
| 215 | L | 78.4 | Confident | 90 | Very high | 81 Ų | 81 | 33.9 Ų | 33.9 | 42% | 0.424 | 18% | 0.179 | S | C | . | . | G | 310 helix | trans | -57.3 | -33.3 | -178.9 | -60.1 | 178.1 | 0 | 0 | 0 | 112.7 | T153 D217 T218 V282 E284 | T153-L215 HydrophobicContact CG2-CD2 3.58Å; T153-L215 HydrophobicContact CG2-CG 3.95Å; L215-D217 VanDerWaalsContact C-N 3.27Å; L215-D217 PolarHBondContact O-N 3.38Å; L215-T218 WeakPolarHBondContact O-CB 3.33Å; L215-T218 PolarHBondContact O-N 2.8Å; L215-T218 VanDerWaalsContact O-N 3.15Å; L215-T218 PolarHBondContact O-OG1 2.69Å; L215-V282 VanDerWaalsContact CD2-O 3.3Å; L215-V282 WeakPolarHBondContact CD2-O 3.29Å; L215-E284 HydrophobicContact CD1-CG 3.95Å; L215-E284 HydrophobicContact CD2-CG 3.89Å; L215-E284 HydrophobicContact CG-CG 4.39Å |
| 216 | N | 86.5 | Confident | 88.8 | Confident | 101 Ų | 101 | 29.4 Ų | 29.4 | 54% | 0.54 | 17% | 0.172 | S | C | . | . | G | 310 helix | trans | -70.3 | -13.4 | 176.1 | 63.7 | 4.8 | 0 | 0 | 0 | 114.2 | K176 Q214 T218 | K176-N216 PolarHBondContact NZ-O 3.01Å; Q214-N216 WeakPolarHBondContact CB-OD1 3.28Å; Q214-N216 PolarHBondContact O-N 2.92Å; Q214-N216 VanDerWaalsContact O-N 3.16Å; Q214-N216 PolarHBondContact OE1-ND2 2.83Å; Q214-N216 VanDerWaalsContact OE1-ND2 3.16Å; Q214-N216 PolarHBondContact OE1-OD1 3.15Å; N216-T218 PolarHBondContact O-N 2.98Å |
| 217 | D | 90.1 | Very high | 86.9 | Confident | 5 Ų | 5 | 32 Ų | 32 | 3% | 0.027 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -74.2 | -11.6 | 170.2 | -61.4 | -42.9 | 0 | 0 | 0 | 111.5 | I157 R195 Q214 L215 G219 Y221 V282 | I157-D217 HydrophobicContact CD1-CB 4Å; R195-D217 IonicContact CZ-OD1 3.24Å; R195-D217 IonicContact CZ-OD2 3.65Å; R195-D217 IonicContact NH1-OD1 3.49Å; R195-D217 IonicContact NH1-OD2 3.62Å; R195-D217 PolarHBondContact NH1-OD2 2.89Å; R195-D217 IonicContact NH2-OD1 2.71Å; R195-D217 PolarHBondContact NH2-OD1 3.09Å; R195-D217 IonicContact NH2-OD2 2.8Å; R195-D217 PolarHBondContact NH2-OD2 2.84Å; Q214-D217 PolarHBondContact N-OD2 3.46Å; Q214-D217 VanDerWaalsContact O-CB 3.3Å; Q214-D217 WeakPolarHBondContact O-CB 3.34Å; Q214-D217 PolarHBondContact O-N 3.22Å; L215-D217 VanDerWaalsContact C-N 3.27Å; L215-D217 PolarHBondContact O-N 3.38Å; D217-G219 PolarHBondContact O-N 3.39Å; D217-Y221 VanDerWaalsContact O-CE2 3.24Å; D217-Y221 WeakPolarHBondContact O-CE2 3.34Å; D217-Y221 PolarHBondContact O-OH 3.07Å; D217-V282 HydrophobicContact CB-CG2 3.99Å |
| 218 | T | 85 | Confident | 84.4 | Confident | 25 Ų | 25 | 34.5 Ų | 34.5 | 15% | 0.153 | 22% | 0.222 | C | C | . | . | trans | -56.1 | 136 | 171.9 | -62.5 | 0 | 0 | 0 | 0 | 110.7 | K176 L215 N216 Y279 V280 V282 | K176-T218 VanDerWaalsContact CE-O 3.24Å; K176-T218 WeakPolarHBondContact CE-O 3.34Å; K176-T218 PolarHBondContact NZ-O 2.87Å; L215-T218 WeakPolarHBondContact O-CB 3.33Å; L215-T218 PolarHBondContact O-N 2.8Å; L215-T218 VanDerWaalsContact O-N 3.15Å; L215-T218 PolarHBondContact O-OG1 2.69Å; N216-T218 PolarHBondContact O-N 2.98Å; T218-Y279 HydrophobicContact CG2-CE2 4.24Å; T218-Y279 WeakPolarHBondContact CG2-OH 3.49Å; T218-V280 CarbonylContact C-O 3.57Å; T218-V280 VanDerWaalsContact CA-O 3.27Å; T218-V280 WeakPolarHBondContact CA-O 3.37Å; T218-V282 PolarHBondContact OG1-N 3.49Å; T218-V282 PolarHBondContact OG1-O 2.82Å | ||
| 219 | G | 85.4 | Confident | 81.7 | Confident | 8 Ų | 8 | 40 Ų | 40 | 8% | 0.082 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 146.6 | -172.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | D217 V280 | D217-G219 PolarHBondContact O-N 3.39Å; G219-V280 PolarHBondContact N-O 3.44Å; G219-V280 PolarHBondContact O-N 3.03Å |
| 220 | V | 86.6 | Confident | 78.6 | Confident | 8 Ų | 8 | 44.2 Ų | 44.2 | 5% | 0.048 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 126.1 | -179 | 177.8 | 0 | 0 | 0 | 0 | 110.6 | I146 K176 L177 Y278 Y279 Y362 F378 | I146-V220 HydrophobicContact CD1-CG1 3.81Å; I146-V220 HydrophobicContact CD1-CG2 4.05Å; K176-V220 CarbonylContact C-O 3.5Å; K176-V220 WeakPolarHBondContact CA-O 3.16Å; L177-V220 HydrophobicContact CB-CB 3.91Å; L177-V220 HydrophobicContact CD2-CB 4.13Å; L177-V220 HydrophobicContact CD2-CG2 4.33Å; L177-V220 PolarHBondContact N-O 3.06Å; V220-Y278 CarbonylContact C-O 3.51Å; V220-Y278 VanDerWaalsContact CA-O 3.3Å; V220-Y278 WeakPolarHBondContact CA-O 3.44Å; V220-Y279 HydrophobicContact CG2-CD2 4.18Å; V220-Y362 HydrophobicContact CG2-CE2 4.44Å; V220-F378 HydrophobicContact CG2-CE1 4.13Å |
| 221 | Y | 91.5 | Very high | 75.5 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 132.2 | 176.4 | -69 | -99.4 | 0 | 0 | 0 | 109.9 | L159 N175 K176 L183 F196 L208 I210 D217 E277 Y278 V280 | L159-Y221 VanDerWaalsContact CD1-CB 3.5Å; L159-Y221 HydrophobicContact CD1-CD1 4.08Å; L159-Y221 HydrophobicContact CD1-CD2 4.14Å; L159-Y221 HydrophobicContact CD1-CG 3.64Å; N175-Y221 CarbonylContact O-C 3.57Å; N175-Y221 VanDerWaalsContact O-CA 3.31Å; N175-Y221 WeakPolarHBondContact O-CA 3.31Å; K176-Y221 HydrophobicContact CB-CD1 4.34Å; K176-Y221 HydrophobicContact CB-CE1 4.15Å; K176-Y221 HydrophobicContact CD-CE1 4.22Å; K176-Y221 HydrophobicContact CD-CE2 4.35Å; K176-Y221 WeakPolarHBondContact CE-OH 3.37Å; K176-Y221 HydrophobicContact CG-CD1 4.3Å; K176-Y221 HydrophobicContact CG-CE1 3.94Å; K176-Y221 HydrophobicContact CG-CE2 4.15Å; L183-Y221 HydrophobicContact CD1-CD1 3.56Å; L183-Y221 HydrophobicContact CD1-CE1 3.59Å; F196-Y221 HydrophobicContact CE1-CE1 4.11Å; L208-Y221 HydrophobicContact CD2-CD1 3.76Å; L208-Y221 HydrophobicContact CD2-CE1 4.09Å; I210-Y221 HydrophobicContact CD1-CE1 3.91Å; D217-Y221 VanDerWaalsContact O-CE2 3.24Å; D217-Y221 WeakPolarHBondContact O-CE2 3.34Å; D217-Y221 PolarHBondContact O-OH 3.07Å; Y221-E277 CarbonylContact O-C 3.58Å; Y221-E277 WeakPolarHBondContact O-CA 3.32Å; Y221-Y278 PolarHBondContact N-O 2.73Å; Y221-Y278 PolarHBondContact O-N 2.84Å; Y221-V280 HydrophobicContact CD2-CB 4Å; Y221-V280 HydrophobicContact CD2-CG2 3.62Å; Y221-V280 HydrophobicContact CE2-CB 3.87Å; Y221-V280 HydrophobicContact CE2-CG1 4.43Å; Y221-V280 HydrophobicContact CE2-CG2 3.88Å |
| 222 | S | 91.5 | Very high | 72.3 | Confident | 25 Ų | 25 | 51.7 Ų | 51.7 | 18% | 0.175 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 137.6 | 176.5 | 66.6 | 0 | 0 | 0 | 0 | 112.1 | W174 N175 R276 | W174-S222 WeakPolarHBondContact CA-O 3.28Å; N175-S222 PolarHBondContact N-O 2.74Å; N175-S222 PolarHBondContact O-N 3.07Å; S222-R276 WeakPolarHBondContact CA-O 3.28Å |
| 223 | C | 91.3 | Very high | 69.4 | Low | 2 Ų | 2 | 55.2 Ų | 55.2 | 1% | 0.014 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 115.9 | 169.4 | 170.5 | 0 | 0 | 0 | 0 | 109.2 | C161 V172 L173 W174 G275 R276 | C161-C223 HydrophobicContact CB-CB 3.48Å; C161-C223 VanDerWaalsContact CB-CB 3.48Å; C161-C223 WeakPolarHBondContact CB-SG 3.29Å; C161-C223 WeakPolarHBondContact SG-CB 3.46Å; C161-C223 CovalentContact SG-SG 2.02Å; C161-C223 PolarHBondContact SG-SG 2.8Å; V172-C223 WeakPolarHBondContact CG1-SG 3.33Å; L173-C223 WeakPolarHBondContact O-CA 3.35Å; W174-C223 HydrophobicContact CD2-CB 3.99Å; W174-C223 HydrophobicContact CE3-CB 3.9Å; W174-C223 HydrophobicContact CH2-CB 3.8Å; W174-C223 HydrophobicContact CZ2-CB 3.89Å; W174-C223 HydrophobicContact CZ3-CB 3.8Å; C223-G275 CarbonylContact O-C 3.57Å; C223-G275 WeakPolarHBondContact O-CA 2.96Å; C223-R276 PolarHBondContact N-O 2.98Å; C223-R276 PolarHBondContact O-N 2.88Å; C223-R276 VanDerWaalsContact O-N 3.16Å |
| 224 | T | 87.8 | Confident | 66.4 | Low | 41 Ų | 41 | 60.1 Ų | 60.1 | 25% | 0.252 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 160.3 | -178.7 | 59.5 | 0 | 0 | 0 | 0 | 111.4 | L173 | L173-T224 PolarHBondContact N-O 2.85Å; L173-T224 PolarHBondContact O-N 2.85Å |
| 225 | T | 82.1 | Confident | 63.7 | Low | 20 Ų | 20 | 64.8 Ų | 64.8 | 12% | 0.123 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 126.9 | 179.1 | 51.6 | 0 | 0 | 0 | 0 | 110.8 | I163 Y169 V172 S227 | I163-T225 HydrophobicContact CD1-CG2 3.53Å; I163-T225 HydrophobicContact CG1-CG2 4.04Å; I163-T225 HydrophobicContact CG2-CG2 3.81Å; Y169-T225 HydrophobicContact CD2-CG2 3.8Å; V172-T225 HydrophobicContact CG2-CG2 4.44Å; T225-S227 VanDerWaalsContact C-N 3.33Å; T225-S227 PolarHBondContact O-N 2.87Å |
| 226 | G | 63.5 | Low | 61.6 | Low | 31 Ų | 31 | 68.8 Ų | 68.8 | 32% | 0.32 | 42% | 0.416 | S | S | . | . | trans | -69.8 | 80 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | K171 G228 | K171-G226 PolarHBondContact O-N 2.85Å; G226-G228 PolarHBondContact O-N 2.81Å | ||
| 227 | S | 50.7 | Low | 58.8 | Low | 77 Ų | 77 | 70.8 Ų | 70.8 | 54% | 0.538 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | 67.6 | 168.8 | -61.8 | 0 | 0 | 0 | 0 | 110.4 | Y169 T225 | Y169-S227 PolarHBondContact OH-OG 2.95Å; T225-S227 VanDerWaalsContact C-N 3.33Å; T225-S227 PolarHBondContact O-N 2.87Å |
| 228 | G | 41.7 | Very low | 56 | Low | 65 Ų | 65 | 80.2 Ų | 80.2 | 67% | 0.67 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 176.6 | -18.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 116 | G226 S230 | G226-G228 PolarHBondContact O-N 2.81Å; G228-S230 PolarHBondContact O-N 2.02Å; G228-S230 VanDerWaalsContact O-N 3.16Å |
| 229 | I | 38.1 | Very low | 53.4 | Low | 117 Ų | 117 | 88.7 Ų | 88.7 | 60% | 0.6 | 51% | 0.505 | S | S | * | . | trans | -91 | 64.8 | 171.8 | -47.8 | 177.4 | 0 | 0 | 0 | 108.5 | ||||
| 230 | S | 31.5 | Very low | 50.9 | Low | 105 Ų | 105 | 92.8 Ų | 92.8 | 73% | 0.734 | 53% | 0.532 | S | S | * | . | trans | -66.6 | 131.2 | 167.6 | 48 | 0 | 0 | 0 | 0 | 109.3 | G228 S232 | G228-S230 PolarHBondContact O-N 2.02Å; G228-S230 VanDerWaalsContact O-N 3.16Å; S230-S232 PolarHBondContact O-N 2.75Å; S230-S232 VanDerWaalsContact O-N 3.09Å | ||
| 231 | N | 31.1 | Very low | 48.3 | Very low | 85 Ų | 85 | 99.3 Ų | 99.3 | 46% | 0.455 | 57% | 0.567 | S | S | . | * | trans | -36.6 | 112.5 | 170.9 | -101.8 | 42 | 0 | 0 | 0 | 112.4 | K170 H233 | K170-N231 VanDerWaalsContact NZ-CG 3.29Å; K170-N231 PolarHBondContact NZ-ND2 3.45Å; K170-N231 VanDerWaalsContact NZ-ND2 3.12Å; K170-N231 PolarHBondContact NZ-OD1 3.38Å; N231-H233 HydrophobicContact CB-CB 4.14Å; N231-H233 PolarHBondContact O-N 3.16Å | ||
| 232 | S | 28.9 | Very low | 45.4 | Very low | 123 Ų | 123 | 107 Ų | 107 | 86% | 0.86 | 61% | 0.607 | S | S | * | * | trans | -73.9 | 67.2 | 154.2 | 56.3 | 0 | 0 | 0 | 0 | 108.7 | S230 | S230-S232 PolarHBondContact O-N 2.75Å; S230-S232 VanDerWaalsContact O-N 3.09Å | ||
| 233 | H | 32.9 | Very low | 42.4 | Very low | 167 Ų | 167 | 114 Ų | 114 | 77% | 0.773 | 64% | 0.637 | S | S | * | * | trans | -127.7 | 62.2 | 174.1 | -110.9 | -70.4 | 0 | 0 | 0 | 107.8 | N231 | N231-H233 HydrophobicContact CB-CB 4.14Å; N231-H233 PolarHBondContact O-N 3.16Å | ||
| 234 | S | 30.3 | Very low | 39.5 | Very low | 105 Ų | 105 | 120.2 Ų | 120.2 | 73% | 0.734 | 67% | 0.666 | S | S | * | * | trans | -157.4 | 44.5 | 173 | 65.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 235 | I | 32.7 | Very low | 36.7 | Very low | 169 Ų | 169 | 129.9 Ų | 129.9 | 87% | 0.867 | 70% | 0.699 | S | S | * | * | trans | -129.8 | 107 | 154.4 | -59.8 | -178.4 | 0 | 0 | 0 | 104.8 | ||||
| 236 | E | 33.6 | Very low | 34.2 | Very low | 166 Ų | 166 | 135 Ų | 135 | 78% | 0.776 | 72% | 0.722 | S | S | * | * | trans | -71.7 | 153.2 | 171.6 | -64.6 | 176.1 | 128.6 | 0 | 0 | 109.6 | ||||
| 237 | N | 27.8 | Very low | 32.4 | Very low | 142 Ų | 142 | 141.2 Ų | 141.2 | 76% | 0.759 | 74% | 0.743 | S | S | * | * | trans | 55.8 | 88.6 | 160.7 | -53.5 | -32.1 | 0 | 0 | 0 | 116.5 | ||||
| 238 | H | 32.3 | Very low | 31.3 | Very low | 204 Ų | 204 | 148.4 Ų | 148.4 | 94% | 0.944 | 76% | 0.759 | S | S | * | * | -152.3 | 141.9 | 111.2 | -105.7 | -76.9 | 0 | 0 | 0 | 110.8 | |||||
| 239 | K | 30.9 | Very low | 30.7 | Very low | 203 Ų | 203 | 151.8 Ų | 151.8 | 88% | 0.883 | 76% | 0.758 | S | S | * | * | trans | -112.8 | 102 | -168.8 | 170.6 | -161.6 | 176.3 | -175.8 | 0 | 109.3 | ||||
| 240 | S | 32.6 | Very low | 30.2 | Very low | 93 Ų | 93 | 152.1 Ų | 152.1 | 65% | 0.65 | 77% | 0.768 | S | S | * | * | trans | -168.1 | 160.9 | 147.1 | 67.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 241 | D | 30.7 | Very low | 30.5 | Very low | 146 Ų | 146 | 156.3 Ų | 156.3 | 78% | 0.781 | 78% | 0.775 | S | S | * | * | trans | 69 | 71.1 | 153.7 | -42.5 | -34.8 | 0 | 0 | 0 | 117.3 | ||||
| 242 | L | 30.9 | Very low | 30.5 | Very low | 160 Ų | 160 | 157.6 Ų | 157.6 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | trans | -59.9 | 160.6 | 140.3 | -158.4 | 78.3 | 0 | 0 | 0 | 109.8 | ||||
| 243 | E | 30 | Very low | 30.8 | Very low | 174 Ų | 174 | 157.5 Ų | 157.5 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | trans | 89.7 | 150.8 | 171.7 | -51.1 | -168 | 171.4 | 0 | 0 | 117.6 | ||||
| 244 | H | 29.8 | Very low | 30.7 | Very low | 132 Ų | 132 | 158.6 Ų | 158.6 | 61% | 0.611 | 79% | 0.788 | S | S | * | * | trans | 76.4 | 79.8 | 167.4 | -126.9 | 76.1 | 0 | 0 | 0 | 119.3 | Q246 | H244-Q246 PolarHBondContact CE1-NE2 3.13Å; H244-Q246 WeakPolarHBondContact NE2-CG 2.95Å; H244-Q246 PolarHBondContact NE2-OE1 3.39Å; H244-Q246 VanDerWaalsContact NE2-OE1 3.13Å | ||
| 245 | Y | 28.2 | Very low | 30.9 | Very low | 244 Ų | 244 | 161.5 Ų | 161.5 | 96% | 0.957 | 80% | 0.795 | S | S | * | * | trans | -108.2 | 83.3 | 142.2 | -94.5 | -82 | 0 | 0 | 0 | 109.4 | ||||
| 246 | Q | 29.5 | Very low | 30.7 | Very low | 128 Ų | 128 | 163.2 Ų | 163.2 | 60% | 0.598 | 80% | 0.796 | S | S | * | * | trans | -77.6 | 140.8 | 158.4 | -80.6 | -173.1 | -8 | 0 | 0 | 109.8 | H244 | H244-Q246 PolarHBondContact CE1-NE2 3.13Å; H244-Q246 WeakPolarHBondContact NE2-CG 2.95Å; H244-Q246 PolarHBondContact NE2-OE1 3.39Å; H244-Q246 VanDerWaalsContact NE2-OE1 3.13Å | ||
| 247 | E | 26.4 | Very low | 30.8 | Very low | 161 Ų | 161 | 163.9 Ų | 163.9 | 75% | 0.752 | 80% | 0.799 | S | S | * | * | trans | 23.1 | 111.8 | 136.1 | -166.2 | 165.1 | -171.6 | 0 | 0 | 117.7 | ||||
| 248 | Y | 27.4 | Very low | 30.8 | Very low | 227 Ų | 227 | 166.5 Ų | 166.5 | 89% | 0.89 | 80% | 0.804 | S | S | * | * | trans | -130.5 | 119.8 | 168.8 | -132.9 | -90 | 0 | 0 | 0 | 112.8 | ||||
| 249 | Q | 29.5 | Very low | 30.8 | Very low | 137 Ų | 137 | 163.8 Ų | 163.8 | 64% | 0.64 | 80% | 0.795 | S | S | * | * | trans | -75.9 | 144.2 | 174.7 | -68.1 | -79.6 | -23.1 | 0 | 0 | 110.6 | Q251 | Q249-Q251 PolarHBondContact O-N 2.76Š| ||
| 250 | P | 27.1 | Very low | 30.6 | Very low | 124 Ų | 124 | 161.4 Ų | 161.4 | 81% | 0.805 | 79% | 0.786 | S | S | * | * | trans | -82.1 | 107.6 | 176.4 | 32 | -31.5 | 0 | 0 | 0 | 110.7 | ||||
| 251 | Q | 38.1 | Very low | 30.5 | Very low | 192 Ų | 192 | 162.4 Ų | 162.4 | 90% | 0.897 | 79% | 0.789 | S | S | * | * | trans | -112.1 | 152.4 | 161.6 | -74.6 | -165.9 | -2 | 0 | 0 | 111.7 | Q249 | Q249-Q251 PolarHBondContact O-N 2.76Š| ||
| 252 | S | 31 | Very low | 30.3 | Very low | 113 Ų | 113 | 160.2 Ų | 160.2 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | trans | -99.7 | -170.4 | -153.5 | 57.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 253 | V | 34.9 | Very low | 30.3 | Very low | 120 Ų | 120 | 159.1 Ų | 159.1 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | 89.3 | 87.9 | 168 | -164.9 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 254 | K | 31.9 | Very low | 30.2 | Very low | 190 Ų | 190 | 157 Ų | 157 | 83% | 0.826 | 77% | 0.773 | S | S | * | * | trans | 46.3 | 99.6 | 131.1 | -57.2 | 173.7 | -175.9 | 172.9 | 0 | 117.2 | ||||
| 255 | N | 34.4 | Very low | 30 | Very low | 167 Ų | 167 | 156.7 Ų | 156.7 | 89% | 0.893 | 78% | 0.776 | S | S | * | * | trans | -142.6 | 121.7 | 132.3 | -105.8 | -33.9 | 0 | 0 | 0 | 111.8 | H257 | N255-H257 PolarHBondContact O-N 3.15Š| ||
| 256 | K | 27.5 | Very low | 29.9 | Very low | 204 Ų | 204 | 149.4 Ų | 149.4 | 89% | 0.887 | 76% | 0.761 | S | S | * | * | trans | -75.2 | 111.4 | 174.3 | -77.8 | 177 | 173.2 | 176.3 | 0 | 108.7 | ||||
| 257 | H | 35.4 | Very low | 29.9 | Very low | 180 Ų | 180 | 148.9 Ų | 148.9 | 83% | 0.833 | 77% | 0.766 | S | S | * | * | trans | -126 | 121.5 | 154.4 | -95.8 | 39.2 | 0 | 0 | 0 | 109.4 | N255 I259 | N255-H257 PolarHBondContact O-N 3.15Å; H257-I259 PolarHBondContact O-N 2.87Å | ||
| 258 | K | 28.1 | Very low | 30 | Very low | 197 Ų | 197 | 146.1 Ų | 146.1 | 86% | 0.857 | 76% | 0.76 | S | S | * | * | trans | -64.4 | 113.2 | 177.3 | -87.4 | 175.4 | 165.2 | -179.9 | 0 | 109.2 | ||||
| 259 | I | 32.9 | Very low | 30 | Very low | 148 Ų | 148 | 142.3 Ų | 142.3 | 76% | 0.759 | 76% | 0.761 | S | S | * | * | trans | -108.8 | 106.3 | 154.2 | -60.7 | -179 | 0 | 0 | 0 | 106.5 | H257 T261 | H257-I259 PolarHBondContact O-N 2.87Å; I259-T261 VanDerWaalsContact C-N 3.26Å; I259-T261 PolarHBondContact O-N 2.9Å | ||
| 260 | H | 27.5 | Very low | 29.9 | Very low | 153 Ų | 153 | 146.4 Ų | 146.4 | 71% | 0.708 | 77% | 0.771 | S | S | * | * | trans | -82.5 | 73.3 | -177.6 | -141.3 | -82.8 | 0 | 0 | 0 | 108.8 | T262 | H260-T262 VanDerWaalsContact C-N 3.3Å; H260-T262 PolarHBondContact O-N 3.16Å | ||
| 261 | T | 29.5 | Very low | 29.9 | Very low | 114 Ų | 114 | 150.7 Ų | 150.7 | 70% | 0.699 | 78% | 0.777 | S | S | * | * | trans | -70.4 | 92.6 | 172.8 | -49.7 | 0 | 0 | 0 | 0 | 108.1 | I259 V263 | I259-T261 VanDerWaalsContact C-N 3.26Å; I259-T261 PolarHBondContact O-N 2.9Å; T261-V263 PolarHBondContact O-N 3.27Å | ||
| 262 | T | 27 | Very low | 29.7 | Very low | 99 Ų | 99 | 149.9 Ų | 149.9 | 61% | 0.607 | 77% | 0.773 | S | S | * | * | trans | -61.4 | 107.1 | 175.1 | 39.4 | 0 | 0 | 0 | 0 | 109.2 | H260 I264 | H260-T262 VanDerWaalsContact C-N 3.3Å; H260-T262 PolarHBondContact O-N 3.16Å; T262-I264 VanDerWaalsContact C-N 3.29Å; T262-I264 PolarHBondContact O-N 2.86Å | ||
| 263 | V | 29.8 | Very low | 30.3 | Very low | 137 Ų | 137 | 148.7 Ų | 148.7 | 83% | 0.83 | 76% | 0.758 | S | S | * | * | trans | -64.6 | 97.2 | 163.9 | 178.9 | 0 | 0 | 0 | 0 | 106.2 | T261 D265 | T261-V263 PolarHBondContact O-N 3.27Å; V263-D265 VanDerWaalsContact C-N 3.34Å; V263-D265 PolarHBondContact O-N 3.22Å | ||
| 264 | I | 28.6 | Very low | 31 | Very low | 131 Ų | 131 | 149.6 Ų | 149.6 | 67% | 0.672 | 75% | 0.752 | S | S | * | * | trans | -71.1 | 98.7 | 174 | -62 | 176.9 | 0 | 0 | 0 | 106.6 | T262 S266 | T262-I264 VanDerWaalsContact C-N 3.29Å; T262-I264 PolarHBondContact O-N 2.86Å; I264-S266 VanDerWaalsContact C-N 3.29Å; I264-S266 PolarHBondContact O-N 3.39Å; I264-S266 PolarHBondContact O-OG 2.93Å | ||
| 265 | D | 24.6 | Very low | 32.5 | Very low | 125 Ų | 125 | 141.2 Ų | 141.2 | 67% | 0.668 | 72% | 0.72 | S | S | * | * | trans | -57.5 | 93.2 | 169.5 | -169 | 4 | 0 | 0 | 0 | 108.7 | V263 T267 | V263-D265 VanDerWaalsContact C-N 3.34Å; V263-D265 PolarHBondContact O-N 3.22Å; D265-T267 PolarHBondContact O-N 3.05Å; D265-T267 VanDerWaalsContact O-N 3.16Å | ||
| 266 | S | 27.9 | Very low | 34.6 | Very low | 90 Ų | 90 | 138.9 Ų | 138.9 | 63% | 0.629 | 70% | 0.698 | S | S | * | * | trans | -95 | 48.6 | -165.6 | 29.6 | 0 | 0 | 0 | 0 | 111.2 | I264 T268 | I264-S266 VanDerWaalsContact C-N 3.29Å; I264-S266 PolarHBondContact O-N 3.39Å; I264-S266 PolarHBondContact O-OG 2.93Å; S266-T268 PolarHBondContact O-N 3.22Å | ||
| 267 | T | 28.8 | Very low | 37.4 | Very low | 118 Ų | 118 | 131.3 Ų | 131.3 | 72% | 0.724 | 67% | 0.666 | S | S | * | * | trans | -69.7 | 31.2 | 166.5 | 44.9 | 0 | 0 | 0 | 0 | 112.8 | D265 | D265-T267 PolarHBondContact O-N 3.05Å; D265-T267 VanDerWaalsContact O-N 3.16Å | ||
| 268 | T | 28 | Very low | 40 | Very low | 102 Ų | 102 | 123.1 Ų | 123.1 | 63% | 0.626 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -140.7 | 102.8 | 174.2 | 36.8 | 0 | 0 | 0 | 0 | 112.3 | S266 R270 | S266-T268 PolarHBondContact O-N 3.22Å; T268-R270 PolarHBondContact O-N 3.19Å; T268-R270 VanDerWaalsContact O-N 3.16Å |
| 269 | T | 27.1 | Very low | 42.7 | Very low | 147 Ų | 147 | 114 Ų | 114 | 90% | 0.902 | 59% | 0.588 | S | S | * | * | trans | 49.2 | 49.6 | 145.4 | 57.6 | 0 | 0 | 0 | 0 | 119 | ||||
| 270 | R | 27.7 | Very low | 45.4 | Very low | 223 Ų | 223 | 106.9 Ų | 106.9 | 84% | 0.842 | 55% | 0.552 | S | S | * | * | trans | -90.7 | 117.6 | 150.4 | -87.5 | -174.4 | 171.7 | -176.8 | -1.5 | 109.9 | T268 Q272 | T268-R270 PolarHBondContact O-N 3.19Å; T268-R270 VanDerWaalsContact O-N 3.16Å; R270-Q272 PolarHBondContact O-N 3.09Å | ||
| 271 | K | 26.8 | Very low | 48.1 | Very low | 215 Ų | 215 | 99.9 Ų | 99.9 | 94% | 0.935 | 52% | 0.52 | S | S | * | . | trans | -65.2 | 80.2 | 162.7 | -75.8 | 179.5 | 176.3 | 174.5 | 0 | 108.5 | N273 | K271-N273 PolarHBondContact O-N 3.5Š| ||
| 272 | Q | 35.6 | Very low | 50.7 | Low | 174 Ų | 174 | 94.7 Ų | 94.7 | 81% | 0.813 | 49% | 0.488 | S | S | * | . | trans | -60.4 | 128.2 | 168 | -66 | -168.9 | 8.3 | 0 | 0 | 107.8 | R270 K274 | R270-Q272 PolarHBondContact O-N 3.09Å; Q272-K274 PolarHBondContact O-N 3.06Å | ||
| 273 | N | 42.6 | Very low | 53.2 | Low | 88 Ų | 88 | 91.4 Ų | 91.4 | 47% | 0.471 | 47% | 0.468 | S | S | . | . | trans | -58.3 | 112.7 | 175.7 | -117.3 | -36 | 0 | 0 | 0 | 107.5 | Q167 K271 G275 | Q167-N273 PolarHBondContact NE2-ND2 2.88Å; Q167-N273 VanDerWaalsContact NE2-ND2 3.13Å; K271-N273 PolarHBondContact O-N 3.5Å; N273-G275 PolarHBondContact O-N 2.94Å | ||
| 274 | K | 49.4 | Very low | 55.4 | Low | 139 Ų | 139 | 91.3 Ų | 91.3 | 60% | 0.604 | 46% | 0.458 | S | S | * | . | trans | -56.9 | 105.6 | -179.3 | -97.5 | -172.7 | 165.3 | -169.1 | 0 | 108.9 | N143 Q272 | N143-K274 PolarHBondContact O-NZ 3.08Å; Q272-K274 PolarHBondContact O-N 3.06Å | ||
| 275 | G | 62.8 | Low | 57.3 | Low | 15 Ų | 15 | 88.1 Ų | 88.1 | 16% | 0.155 | 45% | 0.446 | C | S | . | . | P | Polyproline II helix | trans | -59.3 | 160.7 | 169 | 0 | 0 | 0 | 0 | 0 | 110.5 | C223 N273 E277 | C223-G275 CarbonylContact O-C 3.57Å; C223-G275 WeakPolarHBondContact O-CA 2.96Å; N273-G275 PolarHBondContact O-N 2.94Å; G275-E277 PolarHBondContact O-N 3.35Å |
| 276 | R | 79.3 | Confident | 58.9 | Low | 118 Ų | 118 | 87.9 Ų | 87.9 | 45% | 0.445 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 121 | 168.5 | -72.4 | -175.3 | 178.5 | -166.5 | -9.5 | 108.3 | K160 S222 C223 Y278 | K160-R276 PolarHBondContact O-NH1 3.13Å; K160-R276 VanDerWaalsContact O-NH1 3.08Å; S222-R276 WeakPolarHBondContact CA-O 3.28Å; C223-R276 PolarHBondContact N-O 2.98Å; C223-R276 PolarHBondContact O-N 2.88Å; C223-R276 VanDerWaalsContact O-N 3.16Å; R276-Y278 HydrophobicContact CB-CE2 3.73Å; R276-Y278 WeakPolarHBondContact CD-OH 3.34Å |
| 277 | E | 85.8 | Confident | 60.1 | Low | 44 Ų | 44 | 89.3 Ų | 89.3 | 21% | 0.206 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 145.4 | 176.1 | -63.1 | 166.6 | 143.8 | 0 | 0 | 108.5 | I146 K147 Y221 G275 | I146-E277 CarbonylContact C-O 3.48Å; I146-E277 WeakPolarHBondContact CA-O 3.25Å; I146-E277 HydrophobicContact CB-CB 3.93Å; I146-E277 HydrophobicContact CD1-CB 4.06Å; I146-E277 HydrophobicContact CG1-CB 3.69Å; K147-E277 PolarHBondContact N-O 3.28Å; Y221-E277 CarbonylContact O-C 3.58Å; Y221-E277 WeakPolarHBondContact O-CA 3.32Å; G275-E277 PolarHBondContact O-N 3.35Å |
| 278 | Y | 89.6 | Confident | 61 | Low | 8 Ų | 8 | 87.3 Ų | 87.3 | 3% | 0.031 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 134 | 177 | -59.8 | -96.1 | 0 | 0 | 0 | 107.7 | K147 M149 L159 K160 W174 V220 Y221 R276 | K147-Y278 HydrophobicContact CB-CD1 3.86Å; K147-Y278 HydrophobicContact CB-CE1 4.13Å; K147-Y278 HydrophobicContact CD-CD1 4.21Å; K147-Y278 HydrophobicContact CD-CE1 4.01Å; K147-Y278 HydrophobicContact CG-CD1 4.48Å; K147-Y278 CarbonylContact O-C 3.59Å; K147-Y278 WeakPolarHBondContact O-CA 3.24Å; M149-Y278 HydrophobicContact SD-CD1 3.76Å; M149-Y278 HydrophobicContact SD-CE1 4.26Å; L159-Y278 HydrophobicContact CB-CD1 4.34Å; L159-Y278 HydrophobicContact CB-CD2 4.2Å; L159-Y278 HydrophobicContact CB-CE1 4.44Å; L159-Y278 HydrophobicContact CB-CE2 4.32Å; L159-Y278 HydrophobicContact CB-CG 4.24Å; L159-Y278 HydrophobicContact CD1-CD2 4.32Å; L159-Y278 HydrophobicContact CD1-CG 4.19Å; L159-Y278 HydrophobicContact CD2-CD1 4.03Å; L159-Y278 HydrophobicContact CD2-CG 4.09Å; L159-Y278 HydrophobicContact CG-CG 4.41Å; K160-Y278 PolarHBondContact O-OH 3.42Å; W174-Y278 HydrophobicContact CH2-CD2 4.13Å; W174-Y278 AromaticContact CH2-CE2 3.75Å; W174-Y278 HydrophobicContact CH2-CE2 3.75Å; W174-Y278 AromaticContact CZ3-CD2 3.96Å; W174-Y278 HydrophobicContact CZ3-CD2 3.96Å; W174-Y278 HydrophobicContact CZ3-CE2 4.01Å; V220-Y278 CarbonylContact C-O 3.51Å; V220-Y278 VanDerWaalsContact CA-O 3.3Å; V220-Y278 WeakPolarHBondContact CA-O 3.44Å; Y221-Y278 PolarHBondContact N-O 2.73Å; Y221-Y278 PolarHBondContact O-N 2.84Å; R276-Y278 HydrophobicContact CB-CE2 3.73Å; R276-Y278 WeakPolarHBondContact CD-OH 3.34Å |
| 279 | Y | 86.2 | Confident | 61.8 | Low | 5 Ų | 5 | 90.8 Ų | 90.8 | 2% | 0.02 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 122.8 | 161 | 174.5 | -107.7 | 0 | 0 | 0 | 108.1 | K147 F148 M149 T218 V220 E322 F378 | K147-Y279 PolarHBondContact O-N 3.31Å; F148-Y279 CarbonylContact C-O 3.57Å; F148-Y279 WeakPolarHBondContact CA-O 3.42Å; F148-Y279 AromaticContact CD1-CD1 3.41Å; F148-Y279 HydrophobicContact CD1-CD1 3.41Å; F148-Y279 VanDerWaalsContact CD1-CD1 3.41Å; F148-Y279 HydrophobicContact CD1-CE1 4.3Å; F148-Y279 HydrophobicContact CD1-CG 4.11Å; F148-Y279 AromaticContact CE1-CD1 3.53Å; F148-Y279 HydrophobicContact CE1-CD1 3.53Å; F148-Y279 HydrophobicContact CE1-CE1 4.34Å; F148-Y279 AromaticContact CE1-CG 3.96Å; F148-Y279 HydrophobicContact CE1-CG 3.96Å; F148-Y279 HydrophobicContact CG-CD1 4.39Å; M149-Y279 PolarHBondContact N-O 2.86Å; T218-Y279 HydrophobicContact CG2-CE2 4.24Å; T218-Y279 WeakPolarHBondContact CG2-OH 3.49Å; V220-Y279 HydrophobicContact CG2-CD2 4.18Å; Y279-E322 WeakPolarHBondContact CE1-OE2 3.2Å; Y279-E322 PolarHBondContact OH-OE2 3.39Å; Y279-F378 AromaticContact CD2-CD1 3.66Å; Y279-F378 HydrophobicContact CD2-CD1 3.66Å; Y279-F378 HydrophobicContact CD2-CD2 4.43Å; Y279-F378 AromaticContact CD2-CE1 3.54Å; Y279-F378 HydrophobicContact CD2-CE1 3.54Å; Y279-F378 HydrophobicContact CD2-CE2 4.35Å; Y279-F378 HydrophobicContact CD2-CG 4.13Å; Y279-F378 AromaticContact CD2-CZ 3.94Å; Y279-F378 HydrophobicContact CD2-CZ 3.94Å; Y279-F378 HydrophobicContact CE1-CD2 4.27Å; Y279-F378 HydrophobicContact CE1-CG 4.26Å; Y279-F378 AromaticContact CE2-CD1 3.57Å; Y279-F378 HydrophobicContact CE2-CD1 3.57Å; Y279-F378 AromaticContact CE2-CD2 3.55Å; Y279-F378 HydrophobicContact CE2-CD2 3.55Å; Y279-F378 AromaticContact CE2-CE1 3.34Å; Y279-F378 HydrophobicContact CE2-CE1 3.34Å; Y279-F378 AromaticContact CE2-CE2 3.33Å; Y279-F378 HydrophobicContact CE2-CE2 3.33Å; Y279-F378 AromaticContact CE2-CG 3.67Å; Y279-F378 HydrophobicContact CE2-CG 3.67Å; Y279-F378 AromaticContact CE2-CZ 3.24Å; Y279-F378 HydrophobicContact CE2-CZ 3.24Å; Y279-F378 HydrophobicContact CG-CD1 4.33Å; Y279-F378 AromaticContact CZ-CD2 3.41Å; Y279-F378 VanDerWaalsContact CZ-CD2 3.41Å; Y279-F378 AromaticContact CZ-CE2 3.56Å; Y279-F378 AromaticContact CZ-CG 3.72Å; Y279-F378 AromaticContact CZ-CZ 3.99Å; Y279-F378 WeakPolarHBondContact OH-CD2 3.14Å; Y279-F378 VanDerWaalsContact OH-CE2 3.27Å; Y279-F378 WeakPolarHBondContact OH-CE2 3.39Å |
| 280 | V | 88.7 | Confident | 62.5 | Low | 0 Ų | 0 | 94.9 Ų | 94.9 | 0% | 0 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 125.9 | 177.8 | 173.2 | 0 | 0 | 0 | 0 | 107.4 | M149 Y151 I157 L159 T218 G219 Y221 V282 | M149-V280 WeakPolarHBondContact O-CA 3.42Å; Y151-V280 HydrophobicContact CD2-CG1 4.25Å; I157-V280 HydrophobicContact CD1-CG1 3.9Å; I157-V280 HydrophobicContact CG2-CG1 4.38Å; I157-V280 HydrophobicContact CG2-CG2 4.34Å; L159-V280 HydrophobicContact CD1-CG2 4.09Å; L159-V280 HydrophobicContact CD2-CG2 3.81Å; T218-V280 CarbonylContact C-O 3.57Å; T218-V280 VanDerWaalsContact CA-O 3.27Å; T218-V280 WeakPolarHBondContact CA-O 3.37Å; G219-V280 PolarHBondContact N-O 3.44Å; G219-V280 PolarHBondContact O-N 3.03Å; Y221-V280 HydrophobicContact CD2-CB 4Å; Y221-V280 HydrophobicContact CD2-CG2 3.62Å; Y221-V280 HydrophobicContact CE2-CB 3.87Å; Y221-V280 HydrophobicContact CE2-CG1 4.43Å; Y221-V280 HydrophobicContact CE2-CG2 3.88Å; V280-V282 HydrophobicContact CG1-CG2 4Å |
| 281 | S | 84.1 | Confident | 62.9 | Low | 5 Ų | 5 | 93.1 Ų | 93.1 | 4% | 0.035 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 113.4 | 172.4 | -179 | 0 | 0 | 0 | 0 | 107.7 | M149 R150 Y151 E322 | M149-S281 PolarHBondContact O-N 2.86Å; R150-S281 WeakPolarHBondContact CA-O 3.14Å; Y151-S281 PolarHBondContact N-O 3.33Å; S281-E322 WeakPolarHBondContact CB-OE2 3.1Å; S281-E322 PolarHBondContact OG-OE2 3.44Å |
| 282 | V | 84.3 | Confident | 63.3 | Low | 6 Ų | 6 | 91 Ų | 91 | 4% | 0.036 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 122.3 | 172.7 | -173.3 | 0 | 0 | 0 | 0 | 107.9 | Y151 T153 I157 A213 Q214 L215 D217 T218 V280 | Y151-V282 WeakPolarHBondContact O-CA 3.43Å; T153-V282 HydrophobicContact CG2-CG1 3.91Å; I157-V282 HydrophobicContact CD1-CG2 3.88Å; A213-V282 HydrophobicContact CB-CG1 3.86Å; A213-V282 HydrophobicContact CB-CG2 4.16Å; Q214-V282 WeakPolarHBondContact O-CB 3.41Å; Q214-V282 WeakPolarHBondContact O-CG1 3.46Å; Q214-V282 WeakPolarHBondContact O-CG2 3.07Å; L215-V282 VanDerWaalsContact CD2-O 3.3Å; L215-V282 WeakPolarHBondContact CD2-O 3.29Å; D217-V282 HydrophobicContact CB-CG2 3.99Å; T218-V282 PolarHBondContact OG1-N 3.49Å; T218-V282 PolarHBondContact OG1-O 2.82Å; V280-V282 HydrophobicContact CG1-CG2 4Å |
| 283 | V | 79.7 | Confident | 63.5 | Low | 30 Ų | 30 | 88.9 Ų | 88.9 | 18% | 0.182 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 153.5 | -179 | -64.8 | 0 | 0 | 0 | 0 | 110.7 | R150 Y151 N152 T153 | R150-V283 HydrophobicContact CG-CG2 4.39Å; Y151-V283 WeakPolarHBondContact O-CG2 2.98Å; Y151-V283 PolarHBondContact O-N 2.92Å; N152-V283 CarbonylContact C-O 3.57Å; N152-V283 VanDerWaalsContact CA-O 3.31Å; N152-V283 WeakPolarHBondContact CA-O 3.45Å; T153-V283 PolarHBondContact N-O 2.75Å |
| 284 | E | 75.8 | Confident | 63.1 | Low | 135 Ų | 135 | 91.4 Ų | 91.4 | 63% | 0.631 | 45% | 0.445 | S | S | * | . | P | Polyproline II helix | trans | -66.2 | 138.1 | 163.9 | -56.6 | -167.8 | 146.3 | 0 | 0 | 109 | T153 L215 L286 | T153-E284 HydrophobicContact CG2-CG 4.48Å; L215-E284 HydrophobicContact CD1-CG 3.95Å; L215-E284 HydrophobicContact CD2-CG 3.89Å; L215-E284 HydrophobicContact CG-CG 4.39Å; E284-L286 PolarHBondContact O-N 2.86Å |
| 285 | P | 68.6 | Low | 62.6 | Low | 64 Ų | 64 | 90 Ų | 90 | 42% | 0.416 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -60.6 | 128.3 | 170.5 | 26.3 | -33.2 | 0 | 0 | 0 | 108.4 | T153 | T153-P285 WeakPolarHBondContact OG1-CD 3.3Š|
| 286 | L | 57.9 | Low | 61.4 | Low | 120 Ų | 120 | 94.5 Ų | 94.5 | 63% | 0.628 | 47% | 0.474 | S | S | * | . | P | Polyproline II helix | trans | -56.1 | 137.3 | 178.4 | -71.5 | 168.4 | 0 | 0 | 0 | 109.2 | E284 S288 | E284-L286 PolarHBondContact O-N 2.86Å; L286-S288 PolarHBondContact O-N 2.83Å |
| 287 | P | 52.7 | Low | 59.4 | Low | 120 Ų | 120 | 95 Ų | 95 | 78% | 0.779 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | 2.5 | 177.4 | -26.5 | 35.3 | 0 | 0 | 0 | 115.8 | ||
| 288 | S | 47.8 | Very low | 57 | Low | 76 Ų | 76 | 98.8 Ų | 98.8 | 53% | 0.531 | 51% | 0.511 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | -14.2 | -166.3 | -44.1 | 0 | 0 | 0 | 0 | 114.8 | L286 R290 | L286-S288 PolarHBondContact O-N 2.83Å; S288-R290 VanDerWaalsContact C-N 3.27Å; S288-R290 PolarHBondContact O-N 2.78Å |
| 289 | E | 46.4 | Very low | 54.4 | Low | 174 Ų | 174 | 108.2 Ų | 108.2 | 81% | 0.813 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -79.3 | -6.2 | 177.8 | -74.2 | -173.6 | 174.2 | 0 | 0 | 113.8 | ||
| 290 | R | 40.7 | Very low | 52.1 | Low | 233 Ų | 233 | 114.6 Ų | 114.6 | 88% | 0.879 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -112.2 | -3.9 | 175 | -123.9 | -169.5 | -64.3 | -159.2 | 1.8 | 115.4 | S288 | S288-R290 VanDerWaalsContact C-N 3.27Å; S288-R290 PolarHBondContact O-N 2.78Å |
| 291 | Y | 37.5 | Very low | 49.3 | Very low | 186 Ų | 186 | 117 Ų | 117 | 73% | 0.729 | 61% | 0.61 | S | S | * | * | trans | -137.3 | 81.7 | 168.7 | -83.5 | -86 | 0 | 0 | 0 | 108.7 | I293 | Y291-I293 HydrophobicContact CD1-CG1 4.48Å; Y291-I293 PolarHBondContact O-N 2.76Å | ||
| 292 | Q | 33.5 | Very low | 47.4 | Very low | 172 Ų | 172 | 121.7 Ų | 121.7 | 80% | 0.804 | 63% | 0.633 | S | S | * | * | trans | -67.8 | 82.3 | 150.4 | -75.9 | -177.2 | -16.1 | 0 | 0 | 107.1 | D294 | Q292-D294 PolarHBondContact O-N 2.83Š| ||
| 293 | I | 39.5 | Very low | 45.9 | Very low | 129 Ų | 129 | 130.5 Ų | 130.5 | 66% | 0.662 | 67% | 0.671 | S | S | * | * | trans | -71.8 | 110.8 | 151.7 | -63.1 | 171.4 | 0 | 0 | 0 | 103.7 | Y291 V295 | Y291-I293 HydrophobicContact CD1-CG1 4.48Å; Y291-I293 PolarHBondContact O-N 2.76Å; I293-V295 PolarHBondContact O-N 2.86Å | ||
| 294 | D | 35.3 | Very low | 45.5 | Very low | 140 Ų | 140 | 135.2 Ų | 135.2 | 75% | 0.749 | 70% | 0.695 | S | S | * | * | trans | -63.1 | 78 | 170.7 | -70.8 | -45.8 | 0 | 0 | 0 | 109.1 | Q292 P296 | Q292-D294 PolarHBondContact O-N 2.83Å; D294-P296 VanDerWaalsContact O-CD 3.27Å; D294-P296 WeakPolarHBondContact O-CD 3.41Å | ||
| 295 | V | 39.1 | Very low | 45.7 | Very low | 110 Ų | 110 | 130.9 Ų | 130.9 | 67% | 0.667 | 67% | 0.674 | S | S | * | * | trans | -57.1 | 120.5 | 157.6 | 179.4 | 0 | 0 | 0 | 0 | 104.4 | I293 V297 | I293-V295 PolarHBondContact O-N 2.86Å; V295-V297 PolarHBondContact O-N 2.79Å | ||
| 296 | P | 37.8 | Very low | 46.7 | Very low | 110 Ų | 110 | 131.4 Ų | 131.4 | 71% | 0.714 | 68% | 0.676 | S | S | * | * | trans | -59.9 | 106.4 | 176.6 | -20.5 | 32.3 | 0 | 0 | 0 | 106.8 | D294 N298 | D294-P296 VanDerWaalsContact O-CD 3.27Å; D294-P296 WeakPolarHBondContact O-CD 3.41Å; P296-N298 PolarHBondContact O-N 2.98Å | ||
| 297 | V | 37.5 | Very low | 48.4 | Very low | 128 Ų | 128 | 126.5 Ų | 126.5 | 78% | 0.776 | 65% | 0.65 | S | S | * | * | trans | -65.8 | 86.7 | 161.3 | -180 | 0 | 0 | 0 | 0 | 103.9 | V295 K299 | V295-V297 PolarHBondContact O-N 2.79Å; V297-K299 PolarHBondContact O-N 2.8Å | ||
| 298 | N | 34.5 | Very low | 50.4 | Low | 123 Ų | 123 | 124 Ų | 124 | 66% | 0.658 | 63% | 0.633 | S | S | * | * | trans | -45.5 | 119.3 | 157.6 | -93 | -18 | 0 | 0 | 0 | 104.3 | P296 I300 | P296-N298 PolarHBondContact O-N 2.98Å; N298-I300 HydrophobicContact CB-CD1 4.49Å; N298-I300 HydrophobicContact CB-CG1 3.87Å; N298-I300 PolarHBondContact O-N 2.79Å | ||
| 299 | K | 34.4 | Very low | 52.6 | Low | 206 Ų | 206 | 121 Ų | 121 | 90% | 0.896 | 61% | 0.612 | S | S | * | * | trans | -68 | 64.4 | 165.5 | -70.9 | 179.7 | 176.5 | 177.4 | 0 | 107.5 | V297 G301 | V297-K299 PolarHBondContact O-N 2.8Å; K299-G301 PolarHBondContact O-N 2.81Å | ||
| 300 | I | 37.6 | Very low | 54.9 | Low | 140 Ų | 140 | 116 Ų | 116 | 72% | 0.718 | 59% | 0.593 | S | S | * | * | trans | -58.9 | 97.9 | 155.5 | -53.8 | 177.5 | 0 | 0 | 0 | 102.2 | N298 M302 | N298-I300 HydrophobicContact CB-CD1 4.49Å; N298-I300 HydrophobicContact CB-CG1 3.87Å; N298-I300 PolarHBondContact O-N 2.79Å; I300-M302 PolarHBondContact O-N 3.07Å | ||
| 301 | G | 30 | Very low | 57.3 | Low | 50 Ų | 50 | 106.7 Ų | 106.7 | 52% | 0.515 | 57% | 0.57 | S | S | . | * | trans | -50.7 | 124.5 | -177 | 0 | 0 | 0 | 0 | 0 | 107.8 | K299 K303 | K299-G301 PolarHBondContact O-N 2.81Å; G301-K303 PolarHBondContact O-N 2.84Å | ||
| 302 | M | 44.4 | Very low | 59.8 | Low | 104 Ų | 104 | 100.7 Ų | 100.7 | 51% | 0.512 | 55% | 0.553 | S | S | . | * | trans | -65.2 | 81.9 | -179.8 | -76.3 | -173.6 | 166.7 | 0 | 0 | 108.4 | I300 N304 S328 P330 | I300-M302 PolarHBondContact O-N 3.07Å; M302-N304 VanDerWaalsContact C-N 3.34Å; M302-S328 VanDerWaalsContact CE-OG 3.28Å; M302-S328 WeakPolarHBondContact CE-OG 3.22Å; M302-P330 WeakPolarHBondContact O-CA 3.43Å; M302-P330 WeakPolarHBondContact O-CB 3.4Å | ||
| 303 | K | 53.6 | Low | 62.5 | Low | 190 Ų | 190 | 97.9 Ų | 97.9 | 83% | 0.826 | 54% | 0.544 | S | S | * | . | trans | -80.8 | -23.9 | 174.9 | -71.8 | -174.8 | 174.9 | -175.8 | 0 | 111 | G301 | G301-K303 PolarHBondContact O-N 2.84Š| ||
| 304 | N | 70.9 | Confident | 64.9 | Low | 129 Ų | 129 | 95.4 Ų | 95.4 | 69% | 0.69 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -119.9 | 134.4 | -176.3 | -61.6 | 11.8 | 0 | 0 | 0 | 109.5 | M302 | M302-N304 VanDerWaalsContact C-N 3.34Š|
| 305 | K | 80.6 | Confident | 67.4 | Low | 45 Ų | 45 | 89.1 Ų | 89.1 | 20% | 0.196 | 50% | 0.499 | C | S | . | . | trans | -65.3 | 139.4 | 166.5 | 170.7 | -178.4 | 146 | -154.6 | 0 | 109.4 | S328 F329 E394 V451 | K305-S328 VanDerWaalsContact CA-O 3.32Å; K305-S328 WeakPolarHBondContact CA-O 3.27Å; K305-F329 HydrophobicContact CD-CD1 4.05Å; K305-F329 HydrophobicContact CD-CE1 3.89Å; K305-F329 HydrophobicContact CG-CD1 4.29Å; K305-F329 HydrophobicContact CG-CE1 4.4Å; K305-E394 VanDerWaalsContact CE-CD 3.41Å; K305-E394 WeakPolarHBondContact CE-OE1 3.44Å; K305-E394 IonicContact NZ-OE1 3.26Å; K305-E394 PolarHBondContact NZ-OE1 3.24Å; K305-E394 IonicContact NZ-OE2 2.86Å; K305-E394 PolarHBondContact NZ-OE2 3.22Å; K305-V451 HydrophobicContact CD-CB 4.49Å; K305-V451 HydrophobicContact CD-CG2 4.4Å; K305-V451 HydrophobicContact CG-CG1 4.3Å | ||
| 306 | T | 89.6 | Confident | 69.8 | Low | 75 Ų | 75 | 88.6 Ų | 88.6 | 46% | 0.46 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 154 | 174.8 | 64 | 0 | 0 | 0 | 0 | 110.4 | A327 S328 | T306-A327 CarbonylContact O-C 3.6Å; T306-A327 VanDerWaalsContact O-CA 3.25Å; T306-A327 WeakPolarHBondContact O-CA 3.29Å; T306-S328 PolarHBondContact N-O 3.12Å; T306-S328 PolarHBondContact O-N 3.03Å; T306-S328 WeakPolarHBondContact OG1-CB 3.5Å |
| 307 | I | 92.3 | Very high | 72.1 | Confident | 16 Ų | 16 | 89.4 Ų | 89.4 | 8% | 0.082 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 139.1 | 171.8 | -167.7 | 168.9 | 0 | 0 | 0 | 108.1 | R326 A327 L342 C392 E394 V451 D453 | I307-R326 CarbonylContact C-O 3.53Å; I307-R326 VanDerWaalsContact CA-O 3.28Å; I307-R326 WeakPolarHBondContact CA-O 3.5Å; I307-A327 HydrophobicContact CB-CB 4.48Å; I307-A327 HydrophobicContact CG1-CB 4.24Å; I307-L342 HydrophobicContact CD1-CD2 4Å; I307-C392 HydrophobicContact CD1-CB 4.48Å; I307-E394 HydrophobicContact CD1-CB 4.3Å; I307-V451 HydrophobicContact CB-CG1 4.1Å; I307-V451 HydrophobicContact CG2-CG1 3.59Å; I307-D453 HydrophobicContact CG2-CB 3.97Å |
| 308 | T | 95.1 | Very high | 74.2 | Confident | 67 Ų | 67 | 84.1 Ų | 84.1 | 41% | 0.411 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 137.9 | 179.3 | 56.2 | 0 | 0 | 0 | 0 | 110.5 | C325 R326 D453 | T308-C325 CarbonylContact O-C 3.57Å; T308-C325 VanDerWaalsContact O-CA 3.28Å; T308-C325 WeakPolarHBondContact O-CA 3.46Å; T308-R326 PolarHBondContact N-O 2.91Å; T308-R326 PolarHBondContact O-N 2.92Å; T308-D453 WeakPolarHBondContact CA-OD2 3.33Å |
| 309 | V | 94 | Very high | 76.6 | Confident | 15 Ų | 15 | 80.6 Ų | 80.6 | 9% | 0.091 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 130.2 | 173 | 178 | 0 | 0 | 0 | 0 | 109.1 | C325 W344 C392 D453 I455 | V309-C325 HydrophobicContact CG2-CB 4.27Å; V309-W344 HydrophobicContact CG1-CH2 3.96Å; V309-W344 HydrophobicContact CG1-CZ3 3.96Å; V309-W344 HydrophobicContact CG2-CH2 4.46Å; V309-W344 HydrophobicContact CG2-CZ3 4.42Å; V309-C392 HydrophobicContact CG2-CB 3.4Å; V309-C392 VanDerWaalsContact CG2-CB 3.4Å; V309-D453 HydrophobicContact CG2-CB 4.09Å; V309-D453 PolarHBondContact N-OD2 2.84Å; V309-I455 HydrophobicContact CG1-CB 3.84Å; V309-I455 HydrophobicContact CG1-CG2 3.53Å |
| 310 | T | 94.4 | Very high | 79.2 | Confident | 67 Ų | 67 | 73.7 Ų | 73.7 | 41% | 0.411 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 148.6 | -177.4 | 56.1 | 0 | 0 | 0 | 0 | 110 | I324 | T310-I324 PolarHBondContact N-O 2.83Å; T310-I324 PolarHBondContact O-N 3.16Å; T310-I324 PolarHBondContact OG1-O 3.27Å |
| 311 | G | 92.3 | Very high | 81.6 | Confident | 39 Ų | 39 | 67 Ų | 67 | 40% | 0.402 | 37% | 0.374 | S | S | . | . | S | Bend | trans | 156.9 | 175.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 312 | P | 90.1 | Very high | 84.6 | Confident | 59 Ų | 59 | 66.2 Ų | 66.2 | 38% | 0.383 | 36% | 0.356 | S | S | . | . | trans | -68.2 | 136.8 | 172.9 | 30.9 | -34.8 | 0 | 0 | 0 | 109.9 | V315 L321 I457 | P312-V315 HydrophobicContact CB-CG2 4.16Å; P312-V315 HydrophobicContact CG-CG2 3.88Å; P312-L321 HydrophobicContact CG-CD1 3.48Å; P312-L321 VanDerWaalsContact CG-CD1 3.48Å; P312-I457 WeakPolarHBondContact O-CD1 3.08Å | ||
| 313 | N | 89.3 | Confident | 87 | Confident | 114 Ų | 114 | 61.2 Ų | 61.2 | 61% | 0.61 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -88.7 | -12.5 | 172.9 | 62.1 | -35.7 | 0 | 0 | 0 | 113 | E458 | N313-E458 PolarHBondContact O-N 2.92Š|
| 314 | L | 90.1 | Very high | 88.9 | Confident | 77 Ų | 77 | 53.4 Ų | 53.4 | 40% | 0.403 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 127.8 | -179.4 | 179.9 | 161.9 | 0 | 0 | 0 | 108 | E458 I460 | L314-E458 WeakPolarHBondContact CA-O 3.36Å; L314-I460 HydrophobicContact CD1-CD1 3.69Å; L314-I460 HydrophobicContact CD2-CD1 3.94Å; L314-I460 HydrophobicContact CG-CD1 3.79Å; L314-I460 HydrophobicContact CG-CG1 4.32Å |
| 315 | V | 88.8 | Confident | 90.1 | Very high | 8 Ų | 8 | 47.3 Ų | 47.3 | 5% | 0.048 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 145.8 | -171.3 | -174.6 | 0 | 0 | 0 | 0 | 109.2 | P312 T319 L321 V382 I457 E458 I459 I460 | P312-V315 HydrophobicContact CB-CG2 4.16Å; P312-V315 HydrophobicContact CG-CG2 3.88Å; V315-T319 WeakPolarHBondContact CG1-OG1 3.49Å; V315-L321 HydrophobicContact CG2-CD1 3.92Å; V315-V382 HydrophobicContact CG1-CB 4.33Å; V315-V382 HydrophobicContact CG1-CG1 4.24Å; V315-V382 HydrophobicContact CG1-CG2 4.18Å; V315-I457 HydrophobicContact CG2-CG2 3.96Å; V315-E458 PolarHBondContact N-O 3.34Å; V315-I459 CarbonylContact O-C 3.58Å; V315-I459 VanDerWaalsContact O-CA 3.29Å; V315-I459 WeakPolarHBondContact O-CA 3.22Å; V315-I460 PolarHBondContact O-N 3.41Å |
| 316 | F | 87.5 | Confident | 90.8 | Very high | 99 Ų | 99 | 49.6 Ų | 49.6 | 43% | 0.434 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 144.2 | 174.6 | -66.4 | -76.5 | 0 | 0 | 0 | 111.4 | G318 T319 I460 I462 | F316-G318 PolarHBondContact O-N 3.06Å; F316-T319 HydrophobicContact CB-CG2 3.76Å; F316-T319 PolarHBondContact N-OG1 2.61Å; F316-T319 WeakPolarHBondContact O-CB 3.3Å; F316-T319 PolarHBondContact O-N 2.94Å; F316-T319 PolarHBondContact O-OG1 3Å; F316-I460 CarbonylContact C-O 3.52Å; F316-I460 VanDerWaalsContact CA-O 3.31Å; F316-I460 WeakPolarHBondContact CA-O 2.99Å; F316-I460 HydrophobicContact CD1-CB 4.21Å; F316-I460 HydrophobicContact CD1-CG2 4.25Å; F316-I460 HydrophobicContact CE1-CB 4.44Å; F316-I460 HydrophobicContact CE1-CG2 4.21Å; F316-I462 HydrophobicContact CD1-CG1 4.13Å |
| 317 | Y | 86.6 | Confident | 91 | Very high | 126 Ų | 126 | 46 Ų | 46 | 49% | 0.494 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | 140.5 | 174.4 | -179.6 | -82 | 0 | 0 | 0 | 111.6 | T319 I460 D461 | Y317-T319 PolarHBondContact O-N 2.96Å; Y317-I460 PolarHBondContact N-O 2.94Å; Y317-D461 WeakPolarHBondContact CB-OD1 3.35Å; Y317-D461 WeakPolarHBondContact CD2-OD1 3.47Å; Y317-D461 VanDerWaalsContact CG-OD1 3.31Å |
| 318 | G | 82 | Confident | 91 | Very high | 17 Ų | 17 | 46 Ų | 46 | 18% | 0.175 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.5 | -5.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115 | F316 W381 V382 | F316-G318 PolarHBondContact O-N 3.06Å; G318-W381 WeakPolarHBondContact O-CZ3 3.29Å; G318-V382 PolarHBondContact N-O 3.42Å |
| 319 | T | 84.6 | Confident | 90.7 | Very high | 49 Ų | 49 | 43.3 Ų | 43.3 | 30% | 0.301 | 24% | 0.235 | S | C | . | . | trans | -82.1 | 154 | 176.6 | 63.6 | 0 | 0 | 0 | 0 | 111.8 | V315 F316 Y317 V382 | V315-T319 WeakPolarHBondContact CG1-OG1 3.49Å; F316-T319 HydrophobicContact CB-CG2 3.76Å; F316-T319 PolarHBondContact N-OG1 2.61Å; F316-T319 WeakPolarHBondContact O-CB 3.3Å; F316-T319 PolarHBondContact O-N 2.94Å; F316-T319 PolarHBondContact O-OG1 3Å; Y317-T319 PolarHBondContact O-N 2.96Å; T319-V382 VanDerWaalsContact O-CB 3.29Å; T319-V382 WeakPolarHBondContact O-CB 3.48Å; T319-V382 VanDerWaalsContact O-CG2 3.29Å; T319-V382 WeakPolarHBondContact O-CG2 3.46Å; T319-V382 PolarHBondContact O-N 2.79Å | ||
| 320 | P | 88.5 | Confident | 90.3 | Very high | 61 Ų | 61 | 46 Ų | 46 | 40% | 0.396 | 25% | 0.253 | S | S | . | . | trans | -73.4 | 144 | 174.2 | 28.4 | -34.8 | 0 | 0 | 0 | 111.9 | F378 I379 | P320-F378 HydrophobicContact CB-CE2 3.65Å; P320-F378 HydrophobicContact CB-CZ 3.66Å; P320-I379 WeakPolarHBondContact CA-O 3.49Å | ||
| 321 | L | 89.1 | Confident | 89.6 | Confident | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 124.2 | -179.8 | 169.8 | 58 | 0 | 0 | 0 | 111.5 | P312 V315 L323 F378 I379 V382 I457 | P312-L321 HydrophobicContact CG-CD1 3.48Å; P312-L321 VanDerWaalsContact CG-CD1 3.48Å; V315-L321 HydrophobicContact CG2-CD1 3.92Å; L321-L323 HydrophobicContact CD1-CD2 3.68Å; L321-L323 HydrophobicContact CD1-CG 4.13Å; L321-L323 HydrophobicContact CG-CD2 4.34Å; L321-L323 HydrophobicContact CG-CG 4.26Å; L321-F378 CarbonylContact O-C 3.56Å; L321-F378 VanDerWaalsContact O-CA 3.29Å; L321-F378 WeakPolarHBondContact O-CA 3.01Å; L321-F378 WeakPolarHBondContact O-CD2 3.49Å; L321-I379 HydrophobicContact CB-CB 4.39Å; L321-I379 HydrophobicContact CD2-CD1 4.28Å; L321-I379 PolarHBondContact N-O 2.87Å; L321-I379 PolarHBondContact O-N 2.89Å; L321-V382 HydrophobicContact CB-CG2 3.38Å; L321-V382 HydrophobicContact CD2-CG2 4Å; L321-V382 HydrophobicContact CG-CG2 4.35Å; L321-I457 HydrophobicContact CD2-CG2 4.14Å |
| 322 | E | 93.2 | Very high | 89.3 | Confident | 32 Ų | 32 | 46 Ų | 46 | 15% | 0.15 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 120.1 | 169.6 | -169.7 | 173.4 | 155.8 | 0 | 0 | 109.9 | Y279 S281 I324 R376 L377 F378 | Y279-E322 WeakPolarHBondContact CE1-OE2 3.2Å; Y279-E322 PolarHBondContact OH-OE2 3.39Å; S281-E322 WeakPolarHBondContact CB-OE2 3.1Å; S281-E322 PolarHBondContact OG-OE2 3.44Å; E322-I324 HydrophobicContact CG-CG1 4.33Å; E322-R376 WeakPolarHBondContact OE1-CD 3.19Å; E322-R376 IonicContact OE1-CZ 2.66Å; E322-R376 IonicContact OE1-NE 3.52Å; E322-R376 IonicContact OE1-NH1 3.09Å; E322-R376 PolarHBondContact OE1-NH1 3.35Å; E322-L377 CarbonylContact C-O 3.57Å; E322-L377 WeakPolarHBondContact CA-O 3.4Å; E322-F378 HydrophobicContact CB-CD2 4.22Å |
| 323 | L | 93.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 136.6 | 168.8 | -57 | -175.4 | 0 | 0 | 0 | 109.5 | L321 W344 R376 L377 W390 I455 I457 | L321-L323 HydrophobicContact CD1-CD2 3.68Å; L321-L323 HydrophobicContact CD1-CG 4.13Å; L321-L323 HydrophobicContact CG-CD2 4.34Å; L321-L323 HydrophobicContact CG-CG 4.26Å; L323-W344 HydrophobicContact CB-CH2 3.57Å; L323-W344 HydrophobicContact CB-CZ2 4.34Å; L323-W344 HydrophobicContact CB-CZ3 3.92Å; L323-W344 HydrophobicContact CD1-CZ3 4.07Å; L323-R376 CarbonylContact O-C 3.56Å; L323-R376 WeakPolarHBondContact O-CA 3.24Å; L323-L377 HydrophobicContact CB-CB 4.3Å; L323-L377 HydrophobicContact CB-CD2 4.22Å; L323-L377 HydrophobicContact CD1-CD2 3.8Å; L323-L377 HydrophobicContact CG-CD2 4.14Å; L323-L377 PolarHBondContact N-O 2.95Å; L323-L377 PolarHBondContact O-N 3.29Å; L323-W390 HydrophobicContact CD1-CB 3.89Å; L323-W390 HydrophobicContact CD1-CD2 4.22Å; L323-W390 HydrophobicContact CD1-CG 3.87Å; L323-I455 HydrophobicContact CD1-CG2 3.76Å; L323-I455 HydrophobicContact CD2-CD1 4.32Å; L323-I455 HydrophobicContact CD2-CG2 4.31Å; L323-I457 HydrophobicContact CD1-CD1 4.25Å; L323-I457 HydrophobicContact CD1-CG1 4.45Å; L323-I457 HydrophobicContact CD2-CD1 3.86Å |
| 324 | I | 95.1 | Very high | 88.7 | Confident | 26 Ų | 26 | 43.4 Ų | 43.4 | 13% | 0.133 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 118.5 | -177.3 | -54.5 | 178.3 | 0 | 0 | 0 | 108.8 | T310 E322 R326 E374 R376 | T310-I324 PolarHBondContact N-O 2.83Å; T310-I324 PolarHBondContact O-N 3.16Å; T310-I324 PolarHBondContact OG1-O 3.27Å; E322-I324 HydrophobicContact CG-CG1 4.33Å; I324-R326 HydrophobicContact CG2-CG 4.22Å; I324-E374 HydrophobicContact CG2-CG 3.68Å; I324-E374 WeakPolarHBondContact CG2-OE2 3.27Å; I324-R376 HydrophobicContact CG1-CG 4.26Å; I324-R376 HydrophobicContact CG2-CG 4.45Å |
| 325 | C | 95.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 132.2 | 172.6 | 175.4 | 0 | 0 | 0 | 0 | 109.8 | T308 V309 W344 E374 S375 C392 | T308-C325 CarbonylContact O-C 3.57Å; T308-C325 VanDerWaalsContact O-CA 3.28Å; T308-C325 WeakPolarHBondContact O-CA 3.46Å; V309-C325 HydrophobicContact CG2-CB 4.27Å; C325-W344 HydrophobicContact CB-CH2 3.69Å; C325-W344 HydrophobicContact CB-CZ2 3.36Å; C325-E374 CarbonylContact O-C 3.5Å; C325-E374 WeakPolarHBondContact O-CA 3.39Å; C325-S375 PolarHBondContact N-O 3.03Å; C325-S375 PolarHBondContact O-N 3.02Å; C325-C392 HydrophobicContact CB-CB 3.53Å; C325-C392 WeakPolarHBondContact CB-SG 3.45Å; C325-C392 WeakPolarHBondContact SG-CB 3.3Å; C325-C392 CovalentContact SG-SG 2.02Å; C325-C392 PolarHBondContact SG-SG 2.71Å |
| 326 | R | 95.6 | Very high | 88.3 | Confident | 94 Ų | 94 | 50.9 Ų | 50.9 | 36% | 0.355 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 129.3 | 177.5 | -71.8 | 176.3 | 173.6 | -176.9 | -4.6 | 109.9 | I307 T308 I324 L372 L373 E374 | I307-R326 CarbonylContact C-O 3.53Å; I307-R326 VanDerWaalsContact CA-O 3.28Å; I307-R326 WeakPolarHBondContact CA-O 3.5Å; T308-R326 PolarHBondContact N-O 2.91Å; T308-R326 PolarHBondContact O-N 2.92Å; I324-R326 HydrophobicContact CG2-CG 4.22Å; R326-L372 HydrophobicContact CB-CD1 4.38Å; R326-L373 CarbonylContact C-O 3.57Å; R326-L373 WeakPolarHBondContact CA-O 3.31Å; R326-E374 HydrophobicContact CG-CB 4.3Å; R326-E374 HydrophobicContact CG-CG 4.06Å; R326-E374 IonicContact CZ-OE2 3.59Å; R326-E374 VanDerWaalsContact CZ-OE2 3.25Å; R326-E374 IonicContact NE-OE2 3.87Å; R326-E374 PolarHBondContact NE-OE2 3Å; R326-E374 IonicContact NH2-OE2 2.71Å; R326-E374 PolarHBondContact NH2-OE2 3.46Å |
| 327 | A | 93.2 | Very high | 88 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 124.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | T306 I307 F329 L342 L373 | T306-A327 CarbonylContact O-C 3.6Å; T306-A327 VanDerWaalsContact O-CA 3.25Å; T306-A327 WeakPolarHBondContact O-CA 3.29Å; I307-A327 HydrophobicContact CB-CB 4.48Å; I307-A327 HydrophobicContact CG1-CB 4.24Å; A327-F329 HydrophobicContact CB-CE2 3.82Å; A327-F329 HydrophobicContact CB-CZ 3.94Å; A327-L342 HydrophobicContact CB-CD1 4.23Å; A327-L342 HydrophobicContact CB-CD2 3.75Å; A327-L373 PolarHBondContact N-O 3.42Å; A327-L373 PolarHBondContact O-N 3.3Å |
| 328 | S | 91.8 | Very high | 87.8 | Confident | 15 Ų | 15 | 47.3 Ų | 47.3 | 11% | 0.105 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 127.8 | 173.6 | -161.9 | 0 | 0 | 0 | 0 | 109.5 | M302 K305 T306 H371 | M302-S328 VanDerWaalsContact CE-OG 3.28Å; M302-S328 WeakPolarHBondContact CE-OG 3.22Å; K305-S328 VanDerWaalsContact CA-O 3.32Å; K305-S328 WeakPolarHBondContact CA-O 3.27Å; T306-S328 PolarHBondContact N-O 3.12Å; T306-S328 PolarHBondContact O-N 3.03Å; T306-S328 WeakPolarHBondContact OG1-CB 3.5Å; S328-H371 WeakPolarHBondContact CA-O 3.31Å |
| 329 | F | 89.2 | Confident | 87.9 | Confident | 10 Ų | 10 | 47.8 Ų | 47.8 | 4% | 0.044 | 27% | 0.265 | C | S | . | . | trans | -101.8 | 151.2 | -179.2 | -63.6 | -88.4 | 0 | 0 | 0 | 110.8 | K305 A327 S331 A334 I340 W367 H371 L373 E394 | K305-F329 HydrophobicContact CD-CD1 4.05Å; K305-F329 HydrophobicContact CD-CE1 3.89Å; K305-F329 HydrophobicContact CG-CD1 4.29Å; K305-F329 HydrophobicContact CG-CE1 4.4Å; A327-F329 HydrophobicContact CB-CE2 3.82Å; A327-F329 HydrophobicContact CB-CZ 3.94Å; F329-S331 PolarHBondContact O-N 3.1Å; F329-A334 HydrophobicContact CB-CB 3.48Å; F329-A334 VanDerWaalsContact CB-CB 3.48Å; F329-A334 HydrophobicContact CD1-CB 4.11Å; F329-A334 HydrophobicContact CD2-CB 4.05Å; F329-A334 HydrophobicContact CG-CB 3.6Å; F329-I340 HydrophobicContact CD1-CD1 4.12Å; F329-I340 HydrophobicContact CE1-CD1 3.86Å; F329-I340 HydrophobicContact CE1-CG1 4.5Å; F329-I340 HydrophobicContact CE1-CG2 3.83Å; F329-I340 HydrophobicContact CE2-CG2 4.14Å; F329-I340 HydrophobicContact CZ-CD1 4.3Å; F329-I340 HydrophobicContact CZ-CG2 3.38Å; F329-W367 AromaticContact CD2-CH2 3.89Å; F329-W367 HydrophobicContact CD2-CH2 3.89Å; F329-W367 AromaticContact CD2-CZ3 3.8Å; F329-W367 HydrophobicContact CD2-CZ3 3.8Å; F329-W367 AromaticContact CE2-CH2 3.73Å; F329-W367 HydrophobicContact CE2-CH2 3.73Å; F329-W367 AromaticContact CE2-CZ3 3.9Å; F329-W367 HydrophobicContact CE2-CZ3 3.9Å; F329-W367 HydrophobicContact CZ-CH2 4.38Å; F329-H371 WeakPolarHBondContact CD2-O 3.32Å; F329-H371 PolarHBondContact N-O 3.48Å; F329-L373 HydrophobicContact CE2-CB 3.79Å; F329-L373 HydrophobicContact CE2-CD2 4.4Å; F329-E394 HydrophobicContact CE1-CG 4.18Å; F329-E394 HydrophobicContact CZ-CG 4.08Å | ||
| 330 | P | 85.1 | Confident | 88.1 | Confident | 72 Ų | 72 | 46.2 Ų | 46.2 | 47% | 0.468 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -71.9 | -10 | -179.6 | 30.9 | -38.3 | 0 | 0 | 0 | 114.1 | M302 | M302-P330 WeakPolarHBondContact O-CA 3.43Å; M302-P330 WeakPolarHBondContact O-CB 3.4Å |
| 331 | S | 81.2 | Confident | 88.1 | Confident | 43 Ų | 43 | 44.9 Ų | 44.9 | 30% | 0.301 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -135.4 | 140.1 | -171.5 | 140.5 | 0 | 0 | 0 | 0 | 110.5 | F329 E333 A334 | F329-S331 PolarHBondContact O-N 3.1Å; S331-E333 WeakPolarHBondContact CB-OE2 3.29Å; S331-E333 PolarHBondContact O-N 3.32Å; S331-E333 WeakPolarHBondContact OG-CB 3.2Å; S331-E333 PolarHBondContact OG-N 2.74Å; S331-E333 VanDerWaalsContact OG-N 3.08Å; S331-E333 PolarHBondContact OG-OE2 2.78Å; S331-A334 WeakPolarHBondContact O-CB 3.29Å; S331-A334 PolarHBondContact O-N 3.25Å |
| 332 | S | 84.1 | Confident | 88.2 | Confident | 64 Ų | 64 | 45.3 Ų | 45.3 | 45% | 0.448 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -66.9 | -17.2 | 173.6 | 30.9 | 0 | 0 | 0 | 0 | 113.4 | A334 S370 | S332-A334 VanDerWaalsContact C-N 3.26Å; S332-A334 PolarHBondContact O-N 3.29Å; S332-S370 CarbonylContact O-C 3.55Å; S332-S370 WeakPolarHBondContact O-CB 3.39Å |
| 333 | E | 83.2 | Confident | 88.2 | Confident | 107 Ų | 107 | 44.4 Ų | 44.4 | 50% | 0.5 | 25% | 0.245 | S | C | . | . | G | 310 helix | trans | -82 | -7.2 | 179.9 | -57 | 65.4 | -119.8 | 0 | 0 | 111.4 | S331 K335 L336 | S331-E333 WeakPolarHBondContact CB-OE2 3.29Å; S331-E333 PolarHBondContact O-N 3.32Å; S331-E333 WeakPolarHBondContact OG-CB 3.2Å; S331-E333 PolarHBondContact OG-N 2.74Å; S331-E333 VanDerWaalsContact OG-N 3.08Å; S331-E333 PolarHBondContact OG-OE2 2.78Å; E333-K335 VanDerWaalsContact C-N 3.26Å; E333-K335 PolarHBondContact O-N 2.93Å; E333-L336 HydrophobicContact CB-CD1 4.39Å; E333-L336 WeakPolarHBondContact O-CA 3.29Å; E333-L336 VanDerWaalsContact O-CB 3.27Å; E333-L336 WeakPolarHBondContact O-CB 3.43Å; E333-L336 PolarHBondContact O-N 3.08Å |
| 334 | A | 85.3 | Confident | 88.1 | Confident | 10 Ų | 10 | 44.4 Ų | 44.4 | 8% | 0.083 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -54.1 | -41 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | F329 S331 S332 L336 D337 I340 W367 | F329-A334 HydrophobicContact CB-CB 3.48Å; F329-A334 VanDerWaalsContact CB-CB 3.48Å; F329-A334 HydrophobicContact CD1-CB 4.11Å; F329-A334 HydrophobicContact CD2-CB 4.05Å; F329-A334 HydrophobicContact CG-CB 3.6Å; S331-A334 WeakPolarHBondContact O-CB 3.29Å; S331-A334 PolarHBondContact O-N 3.25Å; S332-A334 VanDerWaalsContact C-N 3.26Å; S332-A334 PolarHBondContact O-N 3.29Å; A334-L336 PolarHBondContact O-N 2.82Å; A334-L336 VanDerWaalsContact O-N 3.08Å; A334-D337 PolarHBondContact O-N 3.16Å; A334-I340 HydrophobicContact CB-CD1 3.95Å; A334-I340 WeakPolarHBondContact O-CD1 3.16Å; A334-W367 HydrophobicContact CB-CH2 3.87Å; A334-W367 HydrophobicContact CB-CZ3 4.17Å |
| 335 | K | 86.7 | Confident | 87.9 | Confident | 102 Ų | 102 | 45.1 Ų | 45.1 | 44% | 0.443 | 25% | 0.246 | S | C | . | . | G | 310 helix | trans | -59.7 | -17.9 | 174.8 | -176.9 | 168.5 | -176.3 | 171.5 | 0 | 114.7 | E333 W367 S370 | E333-K335 VanDerWaalsContact C-N 3.26Å; E333-K335 PolarHBondContact O-N 2.93Å; K335-W367 HydrophobicContact CB-CD2 3.86Å; K335-W367 HydrophobicContact CB-CE3 3.94Å; K335-W367 HydrophobicContact CB-CG 4.32Å; K335-W367 HydrophobicContact CB-CH2 4.49Å; K335-W367 HydrophobicContact CB-CZ2 4.43Å; K335-W367 HydrophobicContact CB-CZ3 4.24Å; K335-W367 HydrophobicContact CD-CB 3.81Å; K335-W367 HydrophobicContact CD-CD2 4.28Å; K335-W367 HydrophobicContact CD-CG 3.95Å; K335-W367 HydrophobicContact CG-CB 4.19Å; K335-W367 HydrophobicContact CG-CD2 3.84Å; K335-W367 HydrophobicContact CG-CE3 4.34Å; K335-W367 HydrophobicContact CG-CG 3.76Å; K335-S370 VanDerWaalsContact CB-O 3.28Å; K335-S370 WeakPolarHBondContact CB-O 3.42Å; K335-S370 PolarHBondContact N-O 3.42Å; K335-S370 VanDerWaalsContact N-O 3.16Å |
| 336 | L | 83.6 | Confident | 87.7 | Confident | 140 Ų | 140 | 45.5 Ų | 45.5 | 73% | 0.733 | 25% | 0.248 | S | C | * | . | G | 310 helix | trans | -88 | -10 | 176.2 | -54.9 | 175.7 | 0 | 0 | 0 | 113.2 | E333 A334 P338 | E333-L336 HydrophobicContact CB-CD1 4.39Å; E333-L336 WeakPolarHBondContact O-CA 3.29Å; E333-L336 VanDerWaalsContact O-CB 3.27Å; E333-L336 WeakPolarHBondContact O-CB 3.43Å; E333-L336 PolarHBondContact O-N 3.08Å; A334-L336 PolarHBondContact O-N 2.82Å; A334-L336 VanDerWaalsContact O-N 3.08Å; L336-P338 VanDerWaalsContact O-CD 3.23Å; L336-P338 WeakPolarHBondContact O-CD 3.41Å |
| 337 | D | 80.9 | Confident | 87.2 | Confident | 31 Ų | 31 | 48.4 Ų | 48.4 | 17% | 0.166 | 26% | 0.259 | C | S | . | . | trans | -90.3 | 106.9 | 176.3 | -164.7 | -19.5 | 0 | 0 | 0 | 111.5 | A334 T339 I340 K400 | A334-D337 PolarHBondContact O-N 3.16Å; D337-T339 VanDerWaalsContact CG-OG1 3.25Å; D337-T339 PolarHBondContact O-N 2.8Å; D337-T339 VanDerWaalsContact O-N 3.08Å; D337-T339 WeakPolarHBondContact OD1-CB 3.42Å; D337-T339 WeakPolarHBondContact OD1-CG2 3.46Å; D337-T339 PolarHBondContact OD1-N 2.91Å; D337-T339 PolarHBondContact OD1-OG1 2.77Å; D337-T339 PolarHBondContact OD2-OG1 2.84Å; D337-I340 HydrophobicContact CB-CD1 4.02Å; D337-I340 HydrophobicContact CB-CG1 4.03Å; D337-I340 PolarHBondContact O-N 2.71Å; D337-K400 IonicContact OD1-NZ 2.9Å; D337-K400 PolarHBondContact OD1-NZ 3.2Å; D337-K400 WeakPolarHBondContact OD2-CD 3.35Å; D337-K400 IonicContact OD2-NZ 3.05Å; D337-K400 PolarHBondContact OD2-NZ 3.46Å | ||
| 338 | P | 83.1 | Confident | 86.6 | Confident | 119 Ų | 119 | 51.6 Ų | 51.6 | 77% | 0.773 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -4.7 | 179.7 | 32.6 | -38.6 | 0 | 0 | 0 | 113.4 | L336 | L336-P338 VanDerWaalsContact O-CD 3.23Å; L336-P338 WeakPolarHBondContact O-CD 3.41Å |
| 339 | T | 84.2 | Confident | 86.3 | Confident | 28 Ų | 28 | 56.2 Ų | 56.2 | 17% | 0.172 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -13.9 | 176.4 | 71.9 | 0 | 0 | 0 | 0 | 113.4 | D337 N397 | D337-T339 VanDerWaalsContact CG-OG1 3.25Å; D337-T339 PolarHBondContact O-N 2.8Å; D337-T339 VanDerWaalsContact O-N 3.08Å; D337-T339 WeakPolarHBondContact OD1-CB 3.42Å; D337-T339 WeakPolarHBondContact OD1-CG2 3.46Å; D337-T339 PolarHBondContact OD1-N 2.91Å; D337-T339 PolarHBondContact OD1-OG1 2.77Å; D337-T339 PolarHBondContact OD2-OG1 2.84Å; T339-N397 HydrophobicContact CG2-CB 3.79Å; T339-N397 PolarHBondContact OG1-N 2.88Å |
| 340 | I | 86.9 | Confident | 86.3 | Confident | 16 Ų | 16 | 60.6 Ų | 60.6 | 8% | 0.082 | 33% | 0.331 | C | S | . | . | trans | -74.3 | 126.5 | 177.8 | -63.2 | -179.4 | 0 | 0 | 0 | 110 | F329 A334 D337 W367 L373 E394 R395 | F329-I340 HydrophobicContact CD1-CD1 4.12Å; F329-I340 HydrophobicContact CE1-CD1 3.86Å; F329-I340 HydrophobicContact CE1-CG1 4.5Å; F329-I340 HydrophobicContact CE1-CG2 3.83Å; F329-I340 HydrophobicContact CE2-CG2 4.14Å; F329-I340 HydrophobicContact CZ-CD1 4.3Å; F329-I340 HydrophobicContact CZ-CG2 3.38Å; A334-I340 HydrophobicContact CB-CD1 3.95Å; A334-I340 WeakPolarHBondContact O-CD1 3.16Å; D337-I340 HydrophobicContact CB-CD1 4.02Å; D337-I340 HydrophobicContact CB-CG1 4.03Å; D337-I340 PolarHBondContact O-N 2.71Å; I340-W367 HydrophobicContact CB-CZ2 4.26Å; I340-W367 HydrophobicContact CD1-CH2 4.27Å; I340-W367 HydrophobicContact CG2-CH2 4.09Å; I340-W367 HydrophobicContact CG2-CZ2 4Å; I340-L373 HydrophobicContact CG2-CD2 3.66Å; I340-E394 HydrophobicContact CG2-CG 4.43Å; I340-R395 CarbonylContact C-O 3.53Å; I340-R395 WeakPolarHBondContact CA-O 3.27Å | ||
| 341 | S | 89.3 | Confident | 86.4 | Confident | 32 Ų | 32 | 59.8 Ų | 59.8 | 22% | 0.224 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 151.8 | 175.6 | 58 | 0 | 0 | 0 | 0 | 111.9 | E394 R395 | S341-E394 WeakPolarHBondContact O-CA 3.42Å; S341-R395 PolarHBondContact N-O 2.93Å; S341-R395 PolarHBondContact O-N 3.23Å |
| 342 | L | 92.1 | Very high | 86.5 | Confident | 11 Ų | 11 | 61 Ų | 61 | 6% | 0.058 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 127.9 | 171.6 | -61.9 | -179.3 | 0 | 0 | 0 | 109.2 | I307 A327 M365 L373 E394 | I307-L342 HydrophobicContact CD1-CD2 4Å; A327-L342 HydrophobicContact CB-CD1 4.23Å; A327-L342 HydrophobicContact CB-CD2 3.75Å; L342-M365 HydrophobicContact CB-SD 4.29Å; L342-M365 PolarHBondContact N-SD 2.71Å; L342-L373 HydrophobicContact CD1-CB 4.3Å; L342-L373 HydrophobicContact CD1-CD2 4.21Å; L342-L373 HydrophobicContact CD1-CG 3.84Å; L342-L373 HydrophobicContact CG-CD2 3.85Å; L342-L373 HydrophobicContact CG-CG 4.05Å; L342-E394 HydrophobicContact CD2-CB 3.75Å; L342-E394 HydrophobicContact CD2-CG 4.07Å |
| 343 | E | 91.3 | Very high | 86.3 | Confident | 12 Ų | 12 | 59.4 Ų | 59.4 | 6% | 0.056 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 133.6 | -175.4 | -56.7 | -165.7 | 163.2 | 0 | 0 | 111.1 | Y345 R350 C392 L393 R395 | E343-Y345 HydrophobicContact CB-CD2 4.27Å; E343-Y345 HydrophobicContact CB-CE2 3.75Å; E343-Y345 WeakPolarHBondContact OE2-CE2 3.4Å; E343-Y345 PolarHBondContact OE2-OH 2.99Å; E343-R350 VanDerWaalsContact CD-NH2 3.27Å; E343-R350 IonicContact OE1-CZ 2.68Å; E343-R350 VanDerWaalsContact OE1-CZ 3.26Å; E343-R350 IonicContact OE1-NE 2.7Å; E343-R350 PolarHBondContact OE1-NE 2.84Å; E343-R350 VanDerWaalsContact OE1-NE 3.13Å; E343-R350 IonicContact OE1-NH2 3.26Å; E343-R350 PolarHBondContact OE1-NH2 3.45Å; E343-R350 IonicContact OE2-CZ 2.91Å; E343-R350 IonicContact OE2-NE 3.88Å; E343-R350 PolarHBondContact OE2-NE 3.32Å; E343-R350 IonicContact OE2-NH2 3.8Å; E343-C392 WeakPolarHBondContact O-CA 2.92Å; E343-L393 PolarHBondContact N-O 3.16Å; E343-L393 PolarHBondContact O-N 2.73Å; E343-R395 WeakPolarHBondContact OE1-CD 2.98Å; E343-R395 IonicContact OE1-CZ 3.88Å; E343-R395 IonicContact OE1-NH1 2.83Å; E343-R395 PolarHBondContact OE1-NH1 2.57Å; E343-R395 IonicContact OE2-CZ 3.42Å; E343-R395 IonicContact OE2-NE 3.95Å; E343-R395 IonicContact OE2-NH1 3.13Å; E343-R395 PolarHBondContact OE2-NH1 3.15Å |
| 344 | W | 92.9 | Very high | 85.7 | Confident | 1 Ų | 1 | 58.8 Ų | 58.8 | 0% | 0.004 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 135.6 | 175 | -67.7 | 88.9 | 0 | 0 | 0 | 111.1 | V309 L323 C325 R350 R351 I363 S375 L377 W390 I391 C392 | V309-W344 HydrophobicContact CG1-CH2 3.96Å; V309-W344 HydrophobicContact CG1-CZ3 3.96Å; V309-W344 HydrophobicContact CG2-CH2 4.46Å; V309-W344 HydrophobicContact CG2-CZ3 4.42Å; L323-W344 HydrophobicContact CB-CH2 3.57Å; L323-W344 HydrophobicContact CB-CZ2 4.34Å; L323-W344 HydrophobicContact CB-CZ3 3.92Å; L323-W344 HydrophobicContact CD1-CZ3 4.07Å; C325-W344 HydrophobicContact CB-CH2 3.69Å; C325-W344 HydrophobicContact CB-CZ2 3.36Å; W344-R350 CarbonylContact O-C 3.59Å; W344-R350 WeakPolarHBondContact O-CA 3.46Å; W344-R351 HydrophobicContact CB-CB 4.44Å; W344-R351 PolarHBondContact O-N 3.24Å; W344-I363 HydrophobicContact CB-CD1 3.99Å; W344-I363 HydrophobicContact CG-CD1 4.29Å; W344-S375 PolarHBondContact NE1-OG 2.81Å; W344-L377 HydrophobicContact CD2-CB 3.8Å; W344-L377 HydrophobicContact CD2-CD2 4.45Å; W344-L377 HydrophobicContact CE3-CB 4.27Å; W344-L377 HydrophobicContact CE3-CD2 4.25Å; W344-L377 HydrophobicContact CG-CB 4.16Å; W344-L377 HydrophobicContact CG-CD1 4.39Å; W344-L377 HydrophobicContact CH2-CB 4.35Å; W344-L377 HydrophobicContact CZ2-CB 3.91Å; W344-W390 HydrophobicContact CE3-CE3 4.4Å; W344-I391 CarbonylContact C-O 3.53Å; W344-I391 WeakPolarHBondContact CA-O 3.44Å; W344-C392 HydrophobicContact CD2-CB 4.41Å; W344-C392 HydrophobicContact CE3-CB 4.17Å; W344-C392 HydrophobicContact CH2-CB 4.33Å; W344-C392 HydrophobicContact CZ3-CB 4.13Å |
| 345 | Y | 91.7 | Very high | 84.4 | Confident | 40 Ų | 40 | 60 Ų | 60 | 16% | 0.157 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 140.4 | 174.7 | -74.4 | -104.1 | 0 | 0 | 0 | 109.9 | E343 I349 R350 I391 L393 R395 | E343-Y345 HydrophobicContact CB-CD2 4.27Å; E343-Y345 HydrophobicContact CB-CE2 3.75Å; E343-Y345 WeakPolarHBondContact OE2-CE2 3.4Å; E343-Y345 PolarHBondContact OE2-OH 2.99Å; Y345-I349 WeakPolarHBondContact CA-O 3.13Å; Y345-R350 HydrophobicContact CD1-CB 4.07Å; Y345-R350 HydrophobicContact CE1-CB 3.61Å; Y345-R350 HydrophobicContact CE1-CG 4.28Å; Y345-R350 HydrophobicContact CE2-CB 4.32Å; Y345-R350 HydrophobicContact CE2-CG 4.11Å; Y345-I391 PolarHBondContact N-O 3.15Å; Y345-I391 PolarHBondContact O-N 3.42Å; Y345-L393 HydrophobicContact CE2-CD2 4.18Å; Y345-R395 PolarHBondContact OH-NH1 3.14Å; Y345-R395 PolarHBondContact OH-NH2 3.31Å |
| 346 | H | 90.4 | Very high | 82.9 | Confident | 8 Ų | 8 | 63.3 Ų | 63.3 | 4% | 0.037 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 133.8 | 175 | 173.1 | -103.1 | 0 | 0 | 0 | 108.6 | G348 I349 R351 A385 E386 A387 Q389 W390 | H346-G348 PolarHBondContact O-N 2.92Å; H346-G348 VanDerWaalsContact O-N 3.15Å; H346-I349 PolarHBondContact N-O 2.94Å; H346-I349 PolarHBondContact O-N 2.97Å; H346-R351 HydrophobicContact CB-CG 3.87Å; H346-A385 PolarHBondContact CE1-O 2.91Å; H346-A385 VanDerWaalsContact CE1-O 3.22Å; H346-E386 PolarHBondContact NE2-O 2.9Å; H346-A387 PolarHBondContact NE2-O 2.91Å; H346-A387 VanDerWaalsContact NE2-O 3.08Å; H346-Q389 PolarHBondContact CD2-O 3.4Å; H346-W390 HydrophobicContact CB-CD2 3.85Å; H346-W390 HydrophobicContact CB-CE3 3.73Å; H346-W390 HydrophobicContact CB-CH2 3.85Å; H346-W390 HydrophobicContact CB-CZ2 3.93Å; H346-W390 HydrophobicContact CB-CZ3 3.75Å; H346-W390 AromaticContact CD2-CD1 3.63Å; H346-W390 AromaticContact CD2-CD2 3.75Å; H346-W390 AromaticContact CD2-CE2 3.28Å; H346-W390 AromaticContact CD2-CG 3.97Å; H346-W390 AromaticContact CD2-CZ2 3.71Å; H346-W390 AromaticContact CD2-NE1 3.22Å; H346-W390 PolarHBondContact CD2-NE1 3.05Å; H346-W390 AromaticContact CG-CE2 3.67Å; H346-W390 AromaticContact CG-CZ2 3.68Å; H346-W390 AromaticContact NE2-CE2 3.92Å; H346-W390 AromaticContact NE2-NE1 3.63Å |
| 347 | R | 85.4 | Confident | 81.4 | Confident | 155 Ų | 155 | 65.5 Ų | 65.5 | 59% | 0.585 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.1 | 40.1 | -172.8 | -61.6 | 176.1 | -175.3 | -169.5 | 3.1 | 112.7 | I349 E384 A385 A387 | R347-I349 PolarHBondContact O-N 2.87Å; R347-E384 PolarHBondContact NH2-O 2.82Å; R347-A385 PolarHBondContact NH2-O 2.76Å; R347-A387 PolarHBondContact NE-O 3.01Å; R347-A387 PolarHBondContact NH2-O 2.89Å; R347-A387 VanDerWaalsContact NH2-O 3.09Å |
| 348 | G | 81.3 | Confident | 79.9 | Confident | 68 Ų | 68 | 66.7 Ų | 66.7 | 70% | 0.701 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76 | -7.3 | -178 | 0 | 0 | 0 | 0 | 0 | 116 | H346 | H346-G348 PolarHBondContact O-N 2.92Å; H346-G348 VanDerWaalsContact O-N 3.15Å |
| 349 | I | 84.7 | Confident | 78.7 | Confident | 112 Ų | 112 | 62.5 Ų | 62.5 | 57% | 0.574 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 130.6 | -175.2 | -59 | 173.6 | 0 | 0 | 0 | 110.3 | Y345 H346 R347 R351 | Y345-I349 WeakPolarHBondContact CA-O 3.13Å; H346-I349 PolarHBondContact N-O 2.94Å; H346-I349 PolarHBondContact O-N 2.97Å; R347-I349 PolarHBondContact O-N 2.87Å; I349-R351 PolarHBondContact O-N 2.79Å |
| 350 | R | 88.1 | Confident | 78.2 | Confident | 101 Ų | 101 | 61.4 Ų | 61.4 | 38% | 0.381 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 116.2 | 172.5 | -169.7 | -175.9 | -169.5 | -121.4 | 5.9 | 109.7 | E343 W344 Y345 | E343-R350 VanDerWaalsContact CD-NH2 3.27Å; E343-R350 IonicContact OE1-CZ 2.68Å; E343-R350 VanDerWaalsContact OE1-CZ 3.26Å; E343-R350 IonicContact OE1-NE 2.7Å; E343-R350 PolarHBondContact OE1-NE 2.84Å; E343-R350 VanDerWaalsContact OE1-NE 3.13Å; E343-R350 IonicContact OE1-NH2 3.26Å; E343-R350 PolarHBondContact OE1-NH2 3.45Å; E343-R350 IonicContact OE2-CZ 2.91Å; E343-R350 IonicContact OE2-NE 3.88Å; E343-R350 PolarHBondContact OE2-NE 3.32Å; E343-R350 IonicContact OE2-NH2 3.8Å; W344-R350 CarbonylContact O-C 3.59Å; W344-R350 WeakPolarHBondContact O-CA 3.46Å; Y345-R350 HydrophobicContact CD1-CB 4.07Å; Y345-R350 HydrophobicContact CE1-CB 3.61Å; Y345-R350 HydrophobicContact CE1-CG 4.28Å; Y345-R350 HydrophobicContact CE2-CB 4.32Å; Y345-R350 HydrophobicContact CE2-CG 4.11Å |
| 351 | R | 88.2 | Confident | 78 | Confident | 55 Ų | 55 | 60.7 Ų | 60.7 | 21% | 0.208 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -81.6 | 147.2 | 176.8 | -59.1 | -62.2 | -71.4 | -171.8 | -7 | 109.9 | W344 H346 I349 I363 W390 | W344-R351 HydrophobicContact CB-CB 4.44Å; W344-R351 PolarHBondContact O-N 3.24Å; H346-R351 HydrophobicContact CB-CG 3.87Å; I349-R351 PolarHBondContact O-N 2.79Å; R351-I363 HydrophobicContact CB-CD1 4.09Å; R351-I363 VanDerWaalsContact O-CD1 3.29Å; R351-I363 WeakPolarHBondContact O-CD1 3.37Å; R351-W390 HydrophobicContact CB-CZ3 4.27Å; R351-W390 HydrophobicContact CG-CH2 4.02Å; R351-W390 HydrophobicContact CG-CZ3 3.7Å |
| 352 | L | 82.6 | Confident | 77.8 | Confident | 68 Ų | 68 | 59.7 Ų | 59.7 | 36% | 0.356 | 30% | 0.298 | S | S | . | . | trans | -136.2 | 149.8 | -177.5 | -68.6 | 172.8 | 0 | 0 | 0 | 108 | M141 H354 | M141-L352 HydrophobicContact CE-CD1 3.72Å; M141-L352 HydrophobicContact CE-CD2 3.96Å; M141-L352 HydrophobicContact CE-CG 4.39Å; M141-L352 HydrophobicContact SD-CD1 4.05Å; L352-H354 PolarHBondContact O-N 2.02Å; L352-H354 VanDerWaalsContact O-N 3.15Å | ||
| 353 | S | 81.3 | Confident | 77.6 | Confident | 31 Ų | 31 | 60.8 Ų | 60.8 | 22% | 0.217 | 30% | 0.304 | C | S | . | . | trans | -56.5 | 118.6 | 172.7 | -53.5 | 0 | 0 | 0 | 0 | 110.3 | V361 I363 | S353-V361 CarbonylContact C-O 3.52Å; S353-V361 WeakPolarHBondContact CA-O 3.2Å; S353-I363 PolarHBondContact OG-N 3.42Å; S353-I363 PolarHBondContact OG-O 2.83Å; S353-I363 VanDerWaalsContact OG-O 3.07Å | ||
| 354 | H | 69.9 | Low | 77.5 | Confident | 95 Ų | 95 | 61.7 Ų | 61.7 | 44% | 0.44 | 31% | 0.31 | S | S | . | . | B | Isolated β-bridge | trans | -142 | 95.7 | -177.8 | -140.8 | 93.4 | 0 | 0 | 0 | 110 | L352 F356 V361 | L352-H354 PolarHBondContact O-N 2.02Å; L352-H354 VanDerWaalsContact O-N 3.15Å; H354-F356 PolarHBondContact O-N 2.9Å; H354-F356 VanDerWaalsContact O-N 3.13Å; H354-V361 PolarHBondContact N-O 3.11Å; H354-V361 PolarHBondContact O-N 3.05Å |
| 355 | P | 57.6 | Low | 77.2 | Confident | 34 Ų | 34 | 65.9 Ų | 65.9 | 22% | 0.221 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -14.3 | -171.3 | 23.2 | -32.3 | 0 | 0 | 0 | 115 | Y362 | P355-Y362 HydrophobicContact CB-CE1 3.91Š|
| 356 | F | 55.5 | Low | 77.1 | Confident | 173 Ų | 173 | 68.4 Ų | 68.4 | 76% | 0.759 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.3 | 8.5 | -170.9 | -49.2 | -61 | 0 | 0 | 0 | 115.2 | H354 | H354-F356 PolarHBondContact O-N 2.9Å; H354-F356 VanDerWaalsContact O-N 3.13Å |
| 357 | R | 51.8 | Low | 77.1 | Confident | 186 Ų | 186 | 71 Ų | 71 | 70% | 0.702 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -131.8 | 151 | 174.5 | -94.3 | -174.8 | 171.5 | -167.1 | -2.6 | 110.3 | G360 | R357-G360 PolarHBondContact O-N 3.07Š|
| 358 | S | 49.4 | Very low | 77.3 | Confident | 56 Ų | 56 | 67.3 Ų | 67.3 | 39% | 0.392 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.5 | 62.2 | 174.4 | -61.6 | 0 | 0 | 0 | 0 | 113.4 | G360 | S358-G360 PolarHBondContact O-N 2.71Š|
| 359 | G | 58.5 | Low | 77.6 | Confident | 31 Ų | 31 | 67.8 Ų | 67.8 | 32% | 0.32 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59 | 18.7 | 176 | 0 | 0 | 0 | 0 | 0 | 115.1 | S380 W381 | G359-S380 WeakPolarHBondContact O-CA 3.34Å; G359-S380 WeakPolarHBondContact O-CB 3.45Å; G359-S380 PolarHBondContact O-N 2.99Å; G359-S380 PolarHBondContact O-OG 2.83Å; G359-W381 PolarHBondContact O-N 2.92Å |
| 360 | G | 73.4 | Confident | 77.6 | Confident | 5 Ų | 5 | 64 Ų | 64 | 5% | 0.052 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.8 | 91.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | R357 S358 Y362 I379 S380 | R357-G360 PolarHBondContact O-N 3.07Å; S358-G360 PolarHBondContact O-N 2.71Å; G360-Y362 VanDerWaalsContact C-CE2 3.46Å; G360-Y362 WeakPolarHBondContact O-CD2 3.11Å; G360-Y362 WeakPolarHBondContact O-CE2 3.35Å; G360-I379 WeakPolarHBondContact O-CA 3.41Å; G360-S380 PolarHBondContact O-N 2.93Å; G360-S380 VanDerWaalsContact O-N 3.07Å |
| 361 | V | 82.1 | Confident | 77.7 | Confident | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.006 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 132.8 | 171.1 | 178 | 0 | 0 | 0 | 0 | 109.9 | S353 H354 L377 F378 I379 | S353-V361 CarbonylContact C-O 3.52Å; S353-V361 WeakPolarHBondContact CA-O 3.2Å; H354-V361 PolarHBondContact N-O 3.11Å; H354-V361 PolarHBondContact O-N 3.05Å; V361-L377 HydrophobicContact CG1-CD1 3.59Å; V361-F378 CarbonylContact C-O 3.53Å; V361-F378 WeakPolarHBondContact CA-O 3.31Å; V361-I379 HydrophobicContact CG2-CG1 4.31Å; V361-I379 HydrophobicContact CG2-CG2 4.44Å |
| 362 | Y | 85.1 | Confident | 77.8 | Confident | 10 Ų | 10 | 61.2 Ų | 61.2 | 4% | 0.039 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 128.5 | 179.2 | -51.7 | -97.6 | 0 | 0 | 0 | 110.3 | I146 V220 P355 G360 L377 F378 | I146-Y362 HydrophobicContact CD1-CD1 4.08Å; I146-Y362 HydrophobicContact CD1-CE1 3.71Å; I146-Y362 HydrophobicContact CG2-CD1 4.05Å; I146-Y362 HydrophobicContact CG2-CE1 4.42Å; V220-Y362 HydrophobicContact CG2-CE2 4.44Å; P355-Y362 HydrophobicContact CB-CE1 3.91Å; G360-Y362 VanDerWaalsContact C-CE2 3.46Å; G360-Y362 WeakPolarHBondContact O-CD2 3.11Å; G360-Y362 WeakPolarHBondContact O-CE2 3.35Å; Y362-L377 CarbonylContact O-C 3.57Å; Y362-L377 WeakPolarHBondContact O-CA 3.11Å; Y362-F378 AromaticContact CD2-CD1 3.75Å; Y362-F378 HydrophobicContact CD2-CD1 3.75Å; Y362-F378 HydrophobicContact CD2-CE1 4.48Å; Y362-F378 HydrophobicContact CE2-CD1 4.32Å; Y362-F378 PolarHBondContact N-O 3.12Å; Y362-F378 PolarHBondContact O-N 2.85Å |
| 363 | I | 88.6 | Confident | 78.3 | Confident | 34 Ų | 34 | 58 Ų | 58 | 17% | 0.174 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 133.5 | 178.1 | -63.2 | 166.5 | 0 | 0 | 0 | 109 | W344 R351 S353 R376 L377 | W344-I363 HydrophobicContact CB-CD1 3.99Å; W344-I363 HydrophobicContact CG-CD1 4.29Å; R351-I363 HydrophobicContact CB-CD1 4.09Å; R351-I363 VanDerWaalsContact O-CD1 3.29Å; R351-I363 WeakPolarHBondContact O-CD1 3.37Å; S353-I363 PolarHBondContact OG-N 3.42Å; S353-I363 PolarHBondContact OG-O 2.83Å; S353-I363 VanDerWaalsContact OG-O 3.07Å; I363-R376 CarbonylContact C-O 3.52Å; I363-R376 WeakPolarHBondContact CA-O 3.41Å; I363-L377 HydrophobicContact CD1-CD1 4.02Å; I363-L377 HydrophobicContact CG1-CD1 3.59Å |
| 364 | T | 88.6 | Confident | 78.9 | Confident | 32 Ų | 32 | 56.6 Ų | 56.6 | 20% | 0.196 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 163.5 | 171.2 | 53.9 | 0 | 0 | 0 | 0 | 111.5 | F148 S375 R376 | F148-T364 HydrophobicContact CD1-CG2 3.74Å; F148-T364 HydrophobicContact CD2-CG2 3.29Å; F148-T364 HydrophobicContact CE1-CG2 3.65Å; F148-T364 HydrophobicContact CE2-CG2 3.13Å; F148-T364 HydrophobicContact CG-CG2 3.62Å; F148-T364 HydrophobicContact CZ-CG2 3.37Å; T364-S375 CarbonylContact O-C 3.57Å; T364-S375 WeakPolarHBondContact O-CA 3.41Å; T364-S375 WeakPolarHBondContact O-CB 3.32Å; T364-S375 PolarHBondContact O-OG 2.93Å; T364-R376 PolarHBondContact N-O 2.87Å; T364-R376 PolarHBondContact O-N 2.91Å; T364-R376 VanDerWaalsContact O-N 3.07Å; T364-R376 PolarHBondContact OG1-O 2.98Å |
| 365 | M | 87.8 | Confident | 80.1 | Confident | 89 Ų | 89 | 52 Ų | 52 | 44% | 0.438 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 130 | 175.5 | -169.9 | 172 | 76.6 | 0 | 0 | 109.1 | L342 L373 E374 | L342-M365 HydrophobicContact CB-SD 4.29Å; L342-M365 PolarHBondContact N-SD 2.71Å; M365-L373 HydrophobicContact CG-CD1 3.55Å; M365-L373 HydrophobicContact CG-CD2 4.31Å; M365-L373 HydrophobicContact CG-CG 4.06Å; M365-L373 HydrophobicContact SD-CD1 4.24Å; M365-L373 HydrophobicContact SD-CD2 3.97Å; M365-L373 HydrophobicContact SD-CG 4.37Å; M365-E374 CarbonylContact C-O 3.54Å; M365-E374 WeakPolarHBondContact CA-O 3.46Å |
| 366 | Q | 89.8 | Confident | 81.8 | Confident | 92 Ų | 92 | 51.4 Ų | 51.4 | 43% | 0.43 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 137.4 | -178.6 | 64 | 179.7 | 3.3 | 0 | 0 | 111.2 | L368 L373 E374 | Q366-L368 HydrophobicContact CG-CD2 4.19Å; Q366-L368 PolarHBondContact O-N 3.16Å; Q366-L373 WeakPolarHBondContact O-CD1 3.24Å; Q366-E374 HydrophobicContact CG-CB 4.19Å; Q366-E374 PolarHBondContact N-O 2.93Å; Q366-E374 PolarHBondContact NE2-OE1 2.9Å; Q366-E374 PolarHBondContact O-N 2.61Å |
| 367 | W | 90.2 | Very high | 83.6 | Confident | 62 Ų | 62 | 43.2 Ų | 43.2 | 24% | 0.235 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 115.4 | 169.9 | -71.9 | 97 | 0 | 0 | 0 | 109.4 | F329 A334 K335 I340 L373 | F329-W367 AromaticContact CD2-CH2 3.89Å; F329-W367 HydrophobicContact CD2-CH2 3.89Å; F329-W367 AromaticContact CD2-CZ3 3.8Å; F329-W367 HydrophobicContact CD2-CZ3 3.8Å; F329-W367 AromaticContact CE2-CH2 3.73Å; F329-W367 HydrophobicContact CE2-CH2 3.73Å; F329-W367 AromaticContact CE2-CZ3 3.9Å; F329-W367 HydrophobicContact CE2-CZ3 3.9Å; F329-W367 HydrophobicContact CZ-CH2 4.38Å; A334-W367 HydrophobicContact CB-CH2 3.87Å; A334-W367 HydrophobicContact CB-CZ3 4.17Å; K335-W367 HydrophobicContact CB-CD2 3.86Å; K335-W367 HydrophobicContact CB-CE3 3.94Å; K335-W367 HydrophobicContact CB-CG 4.32Å; K335-W367 HydrophobicContact CB-CH2 4.49Å; K335-W367 HydrophobicContact CB-CZ2 4.43Å; K335-W367 HydrophobicContact CB-CZ3 4.24Å; K335-W367 HydrophobicContact CD-CB 3.81Å; K335-W367 HydrophobicContact CD-CD2 4.28Å; K335-W367 HydrophobicContact CD-CG 3.95Å; K335-W367 HydrophobicContact CG-CB 4.19Å; K335-W367 HydrophobicContact CG-CD2 3.84Å; K335-W367 HydrophobicContact CG-CE3 4.34Å; K335-W367 HydrophobicContact CG-CG 3.76Å; I340-W367 HydrophobicContact CB-CZ2 4.26Å; I340-W367 HydrophobicContact CD1-CH2 4.27Å; I340-W367 HydrophobicContact CG2-CH2 4.09Å; I340-W367 HydrophobicContact CG2-CZ2 4Å; W367-L373 HydrophobicContact CD2-CB 4.22Å; W367-L373 HydrophobicContact CD2-CD1 3.75Å; W367-L373 HydrophobicContact CD2-CG 4.46Å; W367-L373 HydrophobicContact CE3-CB 3.88Å; W367-L373 HydrophobicContact CE3-CD1 4.29Å; W367-L373 HydrophobicContact CG-CD1 3.91Å; W367-L373 HydrophobicContact CH2-CB 4.09Å; W367-L373 HydrophobicContact CH2-CD2 4.23Å; W367-L373 HydrophobicContact CZ2-CB 4.39Å; W367-L373 HydrophobicContact CZ2-CD1 4.29Å; W367-L373 HydrophobicContact CZ2-CD2 3.95Å; W367-L373 HydrophobicContact CZ2-CG 4.45Å; W367-L373 HydrophobicContact CZ3-CB 3.83Å |
| 368 | L | 89.7 | Confident | 85.4 | Confident | 78 Ų | 78 | 34.4 Ų | 34.4 | 41% | 0.408 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | -36.9 | 173.6 | -61.3 | -178.1 | 0 | 0 | 0 | 110.8 | Q366 L372 E374 | Q366-L368 HydrophobicContact CG-CD2 4.19Å; Q366-L368 PolarHBondContact O-N 3.16Å; L368-L372 HydrophobicContact CB-CB 4.48Å; L368-L372 HydrophobicContact CB-CD2 4.05Å; L368-L372 HydrophobicContact CB-CG 4.18Å; L368-L372 HydrophobicContact CD1-CD2 3.93Å; L368-L372 HydrophobicContact CD1-CG 4.25Å; L368-L372 PolarHBondContact N-O 2.92Å; L368-E374 HydrophobicContact CD1-CB 3.83Å; L368-E374 HydrophobicContact CD1-CG 4.43Å; L368-E374 HydrophobicContact CD2-CB 4.31Å; L368-E374 HydrophobicContact CG-CB 3.84Å |
| 369 | D | 87.4 | Confident | 87.2 | Confident | 78 Ų | 78 | 31.8 Ų | 31.8 | 42% | 0.417 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 173.6 | 173.7 | -161.3 | -15.2 | 0 | 0 | 0 | 109.2 | H371 L372 | D369-H371 PolarHBondContact O-N 2.82Å; D369-H371 IonicContact OD2-CE1 2.89Å; D369-H371 PolarHBondContact OD2-CE1 3.4Å; D369-H371 IonicContact OD2-ND1 2.96Å; D369-L372 HydrophobicContact CB-CB 4.17Å; D369-L372 PolarHBondContact N-O 2.82Å; D369-L372 PolarHBondContact O-N 2.91Å |
| 370 | S | 84.8 | Confident | 88.2 | Confident | 32 Ų | 32 | 30.6 Ų | 30.6 | 22% | 0.224 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -37.8 | -40.2 | 163.9 | 52.5 | 0 | 0 | 0 | 0 | 115.6 | S332 K335 | S332-S370 CarbonylContact O-C 3.55Å; S332-S370 WeakPolarHBondContact O-CB 3.39Å; K335-S370 VanDerWaalsContact CB-O 3.28Å; K335-S370 WeakPolarHBondContact CB-O 3.42Å; K335-S370 PolarHBondContact N-O 3.42Å; K335-S370 VanDerWaalsContact N-O 3.16Å |
| 371 | H | 88.6 | Confident | 88.7 | Confident | 55 Ų | 55 | 35.4 Ų | 35.4 | 26% | 0.255 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -118.9 | 5.4 | -173.1 | 64.7 | -82.1 | 0 | 0 | 0 | 113.5 | S328 F329 D369 | S328-H371 WeakPolarHBondContact CA-O 3.31Å; F329-H371 WeakPolarHBondContact CD2-O 3.32Å; F329-H371 PolarHBondContact N-O 3.48Å; D369-H371 PolarHBondContact O-N 2.82Å; D369-H371 IonicContact OD2-CE1 2.89Å; D369-H371 PolarHBondContact OD2-CE1 3.4Å; D369-H371 IonicContact OD2-ND1 2.96Å |
| 372 | L | 91.1 | Very high | 88.9 | Confident | 44 Ų | 44 | 35.5 Ų | 35.5 | 23% | 0.23 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 111.9 | -174.2 | -177.1 | 62.1 | 0 | 0 | 0 | 111.7 | R326 L368 D369 | R326-L372 HydrophobicContact CB-CD1 4.38Å; L368-L372 HydrophobicContact CB-CB 4.48Å; L368-L372 HydrophobicContact CB-CD2 4.05Å; L368-L372 HydrophobicContact CB-CG 4.18Å; L368-L372 HydrophobicContact CD1-CD2 3.93Å; L368-L372 HydrophobicContact CD1-CG 4.25Å; L368-L372 PolarHBondContact N-O 2.92Å; D369-L372 HydrophobicContact CB-CB 4.17Å; D369-L372 PolarHBondContact N-O 2.82Å; D369-L372 PolarHBondContact O-N 2.91Å |
| 373 | L | 92.8 | Very high | 89 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 126.8 | 178.2 | -174 | 54.3 | 0 | 0 | 0 | 110.1 | R326 A327 F329 I340 L342 M365 Q366 W367 | R326-L373 CarbonylContact C-O 3.57Å; R326-L373 WeakPolarHBondContact CA-O 3.31Å; A327-L373 PolarHBondContact N-O 3.42Å; A327-L373 PolarHBondContact O-N 3.3Å; F329-L373 HydrophobicContact CE2-CB 3.79Å; F329-L373 HydrophobicContact CE2-CD2 4.4Å; I340-L373 HydrophobicContact CG2-CD2 3.66Å; L342-L373 HydrophobicContact CD1-CB 4.3Å; L342-L373 HydrophobicContact CD1-CD2 4.21Å; L342-L373 HydrophobicContact CD1-CG 3.84Å; L342-L373 HydrophobicContact CG-CD2 3.85Å; L342-L373 HydrophobicContact CG-CG 4.05Å; M365-L373 HydrophobicContact CG-CD1 3.55Å; M365-L373 HydrophobicContact CG-CD2 4.31Å; M365-L373 HydrophobicContact CG-CG 4.06Å; M365-L373 HydrophobicContact SD-CD1 4.24Å; M365-L373 HydrophobicContact SD-CD2 3.97Å; M365-L373 HydrophobicContact SD-CG 4.37Å; Q366-L373 WeakPolarHBondContact O-CD1 3.24Å; W367-L373 HydrophobicContact CD2-CB 4.22Å; W367-L373 HydrophobicContact CD2-CD1 3.75Å; W367-L373 HydrophobicContact CD2-CG 4.46Å; W367-L373 HydrophobicContact CE3-CB 3.88Å; W367-L373 HydrophobicContact CE3-CD1 4.29Å; W367-L373 HydrophobicContact CG-CD1 3.91Å; W367-L373 HydrophobicContact CH2-CB 4.09Å; W367-L373 HydrophobicContact CH2-CD2 4.23Å; W367-L373 HydrophobicContact CZ2-CB 4.39Å; W367-L373 HydrophobicContact CZ2-CD1 4.29Å; W367-L373 HydrophobicContact CZ2-CD2 3.95Å; W367-L373 HydrophobicContact CZ2-CG 4.45Å; W367-L373 HydrophobicContact CZ3-CB 3.83Å |
| 374 | E | 94.9 | Very high | 88.8 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 133.4 | 173.8 | -174.3 | 178.7 | 82.2 | 0 | 0 | 109.8 | I324 C325 R326 M365 Q366 L368 R376 | I324-E374 HydrophobicContact CG2-CG 3.68Å; I324-E374 WeakPolarHBondContact CG2-OE2 3.27Å; C325-E374 CarbonylContact O-C 3.5Å; C325-E374 WeakPolarHBondContact O-CA 3.39Å; R326-E374 HydrophobicContact CG-CB 4.3Å; R326-E374 HydrophobicContact CG-CG 4.06Å; R326-E374 IonicContact CZ-OE2 3.59Å; R326-E374 VanDerWaalsContact CZ-OE2 3.25Å; R326-E374 IonicContact NE-OE2 3.87Å; R326-E374 PolarHBondContact NE-OE2 3Å; R326-E374 IonicContact NH2-OE2 2.71Å; R326-E374 PolarHBondContact NH2-OE2 3.46Å; M365-E374 CarbonylContact C-O 3.54Å; M365-E374 WeakPolarHBondContact CA-O 3.46Å; Q366-E374 HydrophobicContact CG-CB 4.19Å; Q366-E374 PolarHBondContact N-O 2.93Å; Q366-E374 PolarHBondContact NE2-OE1 2.9Å; Q366-E374 PolarHBondContact O-N 2.61Å; L368-E374 HydrophobicContact CD1-CB 3.83Å; L368-E374 HydrophobicContact CD1-CG 4.43Å; L368-E374 HydrophobicContact CD2-CB 4.31Å; L368-E374 HydrophobicContact CG-CB 3.84Å; E374-R376 HydrophobicContact CG-CG 4.28Å; E374-R376 IonicContact OE1-CZ 2.7Å; E374-R376 VanDerWaalsContact OE1-CZ 3.26Å; E374-R376 IonicContact OE1-NE 3.39Å; E374-R376 PolarHBondContact OE1-NE 3.34Å; E374-R376 IonicContact OE1-NH2 3.5Å; E374-R376 PolarHBondContact OE1-NH2 3.2Å; E374-R376 IonicContact OE2-NH2 2.78Å; E374-R376 PolarHBondContact OE2-NH2 2.94Å |
| 375 | S | 94.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 133.9 | 166.2 | 178.2 | 0 | 0 | 0 | 0 | 109.8 | C325 W344 T364 | C325-S375 PolarHBondContact N-O 3.03Å; C325-S375 PolarHBondContact O-N 3.02Å; W344-S375 PolarHBondContact NE1-OG 2.81Å; T364-S375 CarbonylContact O-C 3.57Å; T364-S375 WeakPolarHBondContact O-CA 3.41Å; T364-S375 WeakPolarHBondContact O-CB 3.32Å; T364-S375 PolarHBondContact O-OG 2.93Å |
| 376 | R | 92.9 | Very high | 88.9 | Confident | 21 Ų | 21 | 38 Ų | 38 | 8% | 0.079 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 127.3 | 177.5 | -53.2 | -178.3 | 175.5 | -133.2 | -9.9 | 109.7 | E322 L323 I324 I363 T364 E374 | E322-R376 WeakPolarHBondContact OE1-CD 3.19Å; E322-R376 IonicContact OE1-CZ 2.66Å; E322-R376 IonicContact OE1-NE 3.52Å; E322-R376 IonicContact OE1-NH1 3.09Å; E322-R376 PolarHBondContact OE1-NH1 3.35Å; L323-R376 CarbonylContact O-C 3.56Å; L323-R376 WeakPolarHBondContact O-CA 3.24Å; I324-R376 HydrophobicContact CG1-CG 4.26Å; I324-R376 HydrophobicContact CG2-CG 4.45Å; I363-R376 CarbonylContact C-O 3.52Å; I363-R376 WeakPolarHBondContact CA-O 3.41Å; T364-R376 PolarHBondContact N-O 2.87Å; T364-R376 PolarHBondContact O-N 2.91Å; T364-R376 VanDerWaalsContact O-N 3.07Å; T364-R376 PolarHBondContact OG1-O 2.98Å; E374-R376 HydrophobicContact CG-CG 4.28Å; E374-R376 IonicContact OE1-CZ 2.7Å; E374-R376 VanDerWaalsContact OE1-CZ 3.26Å; E374-R376 IonicContact OE1-NE 3.39Å; E374-R376 PolarHBondContact OE1-NE 3.34Å; E374-R376 IonicContact OE1-NH2 3.5Å; E374-R376 PolarHBondContact OE1-NH2 3.2Å; E374-R376 IonicContact OE2-NH2 2.78Å; E374-R376 PolarHBondContact OE2-NH2 2.94Å |
| 377 | L | 92.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 131 | 165.5 | 172.2 | 87.3 | 0 | 0 | 0 | 107.7 | E322 L323 W344 V361 Y362 I363 I379 W390 | E322-L377 CarbonylContact C-O 3.57Å; E322-L377 WeakPolarHBondContact CA-O 3.4Å; L323-L377 HydrophobicContact CB-CB 4.3Å; L323-L377 HydrophobicContact CB-CD2 4.22Å; L323-L377 HydrophobicContact CD1-CD2 3.8Å; L323-L377 HydrophobicContact CG-CD2 4.14Å; L323-L377 PolarHBondContact N-O 2.95Å; L323-L377 PolarHBondContact O-N 3.29Å; W344-L377 HydrophobicContact CD2-CB 3.8Å; W344-L377 HydrophobicContact CD2-CD2 4.45Å; W344-L377 HydrophobicContact CE3-CB 4.27Å; W344-L377 HydrophobicContact CE3-CD2 4.25Å; W344-L377 HydrophobicContact CG-CB 4.16Å; W344-L377 HydrophobicContact CG-CD1 4.39Å; W344-L377 HydrophobicContact CH2-CB 4.35Å; W344-L377 HydrophobicContact CZ2-CB 3.91Å; V361-L377 HydrophobicContact CG1-CD1 3.59Å; Y362-L377 CarbonylContact O-C 3.57Å; Y362-L377 WeakPolarHBondContact O-CA 3.11Å; I363-L377 HydrophobicContact CD1-CD1 4.02Å; I363-L377 HydrophobicContact CG1-CD1 3.59Å; L377-I379 HydrophobicContact CD2-CD1 4.46Å; L377-I379 HydrophobicContact CG-CG1 4.48Å; L377-W390 HydrophobicContact CD1-CE3 4.49Å; L377-W390 HydrophobicContact CD1-CH2 4.25Å; L377-W390 HydrophobicContact CD1-CZ3 3.72Å; L377-W390 HydrophobicContact CD2-CD2 3.94Å; L377-W390 HydrophobicContact CD2-CE3 3.33Å; L377-W390 HydrophobicContact CD2-CH2 3.82Å; L377-W390 HydrophobicContact CD2-CZ2 4.37Å; L377-W390 HydrophobicContact CD2-CZ3 3.26Å; L377-W390 HydrophobicContact CG-CZ3 4.12Å |
| 378 | F | 89.9 | Confident | 89 | Confident | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.009 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 140.1 | 171 | -179.9 | -112.5 | 0 | 0 | 0 | 110.3 | V220 Y279 P320 L321 E322 V361 Y362 | V220-F378 HydrophobicContact CG2-CE1 4.13Å; Y279-F378 AromaticContact CD2-CD1 3.66Å; Y279-F378 HydrophobicContact CD2-CD1 3.66Å; Y279-F378 HydrophobicContact CD2-CD2 4.43Å; Y279-F378 AromaticContact CD2-CE1 3.54Å; Y279-F378 HydrophobicContact CD2-CE1 3.54Å; Y279-F378 HydrophobicContact CD2-CE2 4.35Å; Y279-F378 HydrophobicContact CD2-CG 4.13Å; Y279-F378 AromaticContact CD2-CZ 3.94Å; Y279-F378 HydrophobicContact CD2-CZ 3.94Å; Y279-F378 HydrophobicContact CE1-CD2 4.27Å; Y279-F378 HydrophobicContact CE1-CG 4.26Å; Y279-F378 AromaticContact CE2-CD1 3.57Å; Y279-F378 HydrophobicContact CE2-CD1 3.57Å; Y279-F378 AromaticContact CE2-CD2 3.55Å; Y279-F378 HydrophobicContact CE2-CD2 3.55Å; Y279-F378 AromaticContact CE2-CE1 3.34Å; Y279-F378 HydrophobicContact CE2-CE1 3.34Å; Y279-F378 AromaticContact CE2-CE2 3.33Å; Y279-F378 HydrophobicContact CE2-CE2 3.33Å; Y279-F378 AromaticContact CE2-CG 3.67Å; Y279-F378 HydrophobicContact CE2-CG 3.67Å; Y279-F378 AromaticContact CE2-CZ 3.24Å; Y279-F378 HydrophobicContact CE2-CZ 3.24Å; Y279-F378 HydrophobicContact CG-CD1 4.33Å; Y279-F378 AromaticContact CZ-CD2 3.41Å; Y279-F378 VanDerWaalsContact CZ-CD2 3.41Å; Y279-F378 AromaticContact CZ-CE2 3.56Å; Y279-F378 AromaticContact CZ-CG 3.72Å; Y279-F378 AromaticContact CZ-CZ 3.99Å; Y279-F378 WeakPolarHBondContact OH-CD2 3.14Å; Y279-F378 VanDerWaalsContact OH-CE2 3.27Å; Y279-F378 WeakPolarHBondContact OH-CE2 3.39Å; P320-F378 HydrophobicContact CB-CE2 3.65Å; P320-F378 HydrophobicContact CB-CZ 3.66Å; L321-F378 CarbonylContact O-C 3.56Å; L321-F378 VanDerWaalsContact O-CA 3.29Å; L321-F378 WeakPolarHBondContact O-CA 3.01Å; L321-F378 WeakPolarHBondContact O-CD2 3.49Å; E322-F378 HydrophobicContact CB-CD2 4.22Å; V361-F378 CarbonylContact C-O 3.53Å; V361-F378 WeakPolarHBondContact CA-O 3.31Å; Y362-F378 AromaticContact CD2-CD1 3.75Å; Y362-F378 HydrophobicContact CD2-CD1 3.75Å; Y362-F378 HydrophobicContact CD2-CE1 4.48Å; Y362-F378 HydrophobicContact CE2-CD1 4.32Å; Y362-F378 PolarHBondContact N-O 3.12Å; Y362-F378 PolarHBondContact O-N 2.85Å |
| 379 | I | 87.9 | Confident | 89.2 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 120.4 | 172.2 | -46.8 | -172.6 | 0 | 0 | 0 | 106.8 | P320 L321 G360 V361 L377 V382 E386 W390 | P320-I379 WeakPolarHBondContact CA-O 3.49Å; L321-I379 HydrophobicContact CB-CB 4.39Å; L321-I379 HydrophobicContact CD2-CD1 4.28Å; L321-I379 PolarHBondContact N-O 2.87Å; L321-I379 PolarHBondContact O-N 2.89Å; G360-I379 WeakPolarHBondContact O-CA 3.41Å; V361-I379 HydrophobicContact CG2-CG1 4.31Å; V361-I379 HydrophobicContact CG2-CG2 4.44Å; L377-I379 HydrophobicContact CD2-CD1 4.46Å; L377-I379 HydrophobicContact CG-CG1 4.48Å; I379-V382 HydrophobicContact CB-CG2 4.31Å; I379-V382 HydrophobicContact CG2-CG2 4.34Å; I379-E386 HydrophobicContact CD1-CB 4.2Å; I379-E386 HydrophobicContact CD1-CG 3.58Å; I379-E386 HydrophobicContact CG2-CG 4.17Å; I379-W390 HydrophobicContact CD1-CH2 3.76Å; I379-W390 HydrophobicContact CD1-CZ2 3.53Å |
| 380 | S | 79.6 | Confident | 89.5 | Confident | 7 Ų | 7 | 28.8 Ų | 28.8 | 5% | 0.049 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -76.3 | -29.1 | -171.5 | 67.3 | 0 | 0 | 0 | 0 | 114.5 | L177 G359 G360 | L177-S380 WeakPolarHBondContact CD2-OG 3.29Å; G359-S380 WeakPolarHBondContact O-CA 3.34Å; G359-S380 WeakPolarHBondContact O-CB 3.45Å; G359-S380 PolarHBondContact O-N 2.99Å; G359-S380 PolarHBondContact O-OG 2.83Å; G360-S380 PolarHBondContact O-N 2.93Å; G360-S380 VanDerWaalsContact O-N 3.07Å |
| 381 | W | 83.2 | Confident | 89.9 | Confident | 106 Ų | 106 | 29.2 Ų | 29.2 | 40% | 0.402 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -139.5 | 108.1 | 173.8 | -61.1 | 82.6 | 0 | 0 | 0 | 108.4 | G318 G359 | G318-W381 WeakPolarHBondContact O-CZ3 3.29Å; G359-W381 PolarHBondContact O-N 2.92Å |
| 382 | V | 87.1 | Confident | 90.2 | Very high | 2 Ų | 2 | 26.6 Ų | 26.6 | 1% | 0.012 | 14% | 0.141 | C | C | . | . | trans | -75 | 131 | 177.6 | 167.4 | 0 | 0 | 0 | 0 | 110.7 | V315 G318 T319 L321 I379 E386 I459 | V315-V382 HydrophobicContact CG1-CB 4.33Å; V315-V382 HydrophobicContact CG1-CG1 4.24Å; V315-V382 HydrophobicContact CG1-CG2 4.18Å; G318-V382 PolarHBondContact N-O 3.42Å; T319-V382 VanDerWaalsContact O-CB 3.29Å; T319-V382 WeakPolarHBondContact O-CB 3.48Å; T319-V382 VanDerWaalsContact O-CG2 3.29Å; T319-V382 WeakPolarHBondContact O-CG2 3.46Å; T319-V382 PolarHBondContact O-N 2.79Å; L321-V382 HydrophobicContact CB-CG2 3.38Å; L321-V382 HydrophobicContact CD2-CG2 4Å; L321-V382 HydrophobicContact CG-CG2 4.35Å; I379-V382 HydrophobicContact CB-CG2 4.31Å; I379-V382 HydrophobicContact CG2-CG2 4.34Å; V382-E386 HydrophobicContact CG1-CB 4.49Å; V382-I459 HydrophobicContact CG1-CD1 3.28Å; V382-I459 HydrophobicContact CG1-CG1 3.73Å; V382-I459 HydrophobicContact CG1-CG2 4.08Å | ||
| 383 | S | 86.6 | Confident | 90.2 | Very high | 35 Ų | 35 | 25.3 Ų | 25.3 | 25% | 0.245 | 13% | 0.134 | C | C | . | . | trans | -121.2 | 166.5 | 169.7 | 75.4 | 0 | 0 | 0 | 0 | 110.6 | A385 E386 I459 | S383-A385 PolarHBondContact O-N 2.91Å; S383-A385 WeakPolarHBondContact OG-CB 3.34Å; S383-A385 PolarHBondContact OG-N 2.76Å; S383-E386 WeakPolarHBondContact CB-OE2 3.31Å; S383-E386 PolarHBondContact N-OE2 2.98Å; S383-E386 WeakPolarHBondContact O-CB 3.36Å; S383-E386 PolarHBondContact O-N 3.08Å; S383-E386 PolarHBondContact OG-OE2 2.86Å; S383-I459 WeakPolarHBondContact O-CD1 3.23Å | ||
| 384 | E | 85.7 | Confident | 90.1 | Very high | 132 Ų | 132 | 25.8 Ų | 25.8 | 62% | 0.617 | 14% | 0.136 | S | C | * | . | G | 310 helix | trans | -49.1 | -26.7 | 174.2 | -58 | -173.8 | 139.1 | 0 | 0 | 113.9 | R347 E386 A387 | R347-E384 PolarHBondContact NH2-O 2.82Å; E384-E386 PolarHBondContact O-N 3.43Å; E384-A387 VanDerWaalsContact O-CB 3.3Å; E384-A387 WeakPolarHBondContact O-CB 3.17Å; E384-A387 PolarHBondContact O-N 3.29Å; E384-A387 VanDerWaalsContact O-N 3.16Å |
| 385 | A | 87.5 | Confident | 89.6 | Confident | 47 Ų | 47 | 30.9 Ų | 30.9 | 39% | 0.388 | 16% | 0.156 | S | C | . | . | G | 310 helix | trans | -62.4 | -25.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | H346 R347 S383 | H346-A385 PolarHBondContact CE1-O 2.91Å; H346-A385 VanDerWaalsContact CE1-O 3.22Å; R347-A385 PolarHBondContact NH2-O 2.76Å; S383-A385 PolarHBondContact O-N 2.91Å; S383-A385 WeakPolarHBondContact OG-CB 3.34Å; S383-A385 PolarHBondContact OG-N 2.76Å |
| 386 | E | 89.2 | Confident | 88.9 | Confident | 4 Ų | 4 | 32.6 Ų | 32.6 | 2% | 0.019 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -86.2 | -9.9 | 177.6 | -76.7 | 66.2 | -131.7 | 0 | 0 | 113.6 | H346 I379 V382 S383 E384 W390 I459 | H346-E386 PolarHBondContact NE2-O 2.9Å; I379-E386 HydrophobicContact CD1-CB 4.2Å; I379-E386 HydrophobicContact CD1-CG 3.58Å; I379-E386 HydrophobicContact CG2-CG 4.17Å; V382-E386 HydrophobicContact CG1-CB 4.49Å; S383-E386 WeakPolarHBondContact CB-OE2 3.31Å; S383-E386 PolarHBondContact N-OE2 2.98Å; S383-E386 WeakPolarHBondContact O-CB 3.36Å; S383-E386 PolarHBondContact O-N 3.08Å; S383-E386 PolarHBondContact OG-OE2 2.86Å; E384-E386 PolarHBondContact O-N 3.43Å; E386-W390 HydrophobicContact CB-CZ2 4.45Å; E386-W390 HydrophobicContact CG-CZ2 4.36Å; E386-W390 PolarHBondContact O-NE1 2.94Å; E386-I459 HydrophobicContact CB-CD1 4.22Å |
| 387 | A | 91.1 | Very high | 87.3 | Confident | 25 Ų | 25 | 34.3 Ų | 34.3 | 21% | 0.207 | 18% | 0.178 | C | C | . | . | trans | -60.8 | 154 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | H346 R347 E384 I459 | H346-A387 PolarHBondContact NE2-O 2.91Å; H346-A387 VanDerWaalsContact NE2-O 3.08Å; R347-A387 PolarHBondContact NE-O 3.01Å; R347-A387 PolarHBondContact NH2-O 2.89Å; R347-A387 VanDerWaalsContact NH2-O 3.09Å; E384-A387 VanDerWaalsContact O-CB 3.3Å; E384-A387 WeakPolarHBondContact O-CB 3.17Å; E384-A387 PolarHBondContact O-N 3.29Å; E384-A387 VanDerWaalsContact O-N 3.16Å; A387-I459 HydrophobicContact CB-CD1 3.76Å; A387-I459 HydrophobicContact CB-CG1 4.1Å; A387-I459 VanDerWaalsContact N-CD1 3.32Å | ||
| 388 | G | 92.3 | Very high | 85.4 | Confident | 10 Ų | 10 | 37.8 Ų | 37.8 | 10% | 0.103 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 103.3 | -153.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | I457 | G388-I457 PolarHBondContact N-O 3.49Å; G388-I457 PolarHBondContact O-N 3.09Å |
| 389 | Q | 93.9 | Very high | 83.2 | Confident | 82 Ų | 82 | 44.5 Ų | 44.5 | 38% | 0.383 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 123.5 | -172.4 | -170.9 | -174.7 | -5.6 | 0 | 0 | 112.6 | H346 I391 K454 Y456 | H346-Q389 PolarHBondContact CD2-O 3.4Å; Q389-I391 HydrophobicContact CG-CG1 4.02Å; Q389-K454 HydrophobicContact CG-CB 4.32Å; Q389-K454 VanDerWaalsContact NE2-CD 3.27Å; Q389-Y456 HydrophobicContact CB-CD2 4.35Å |
| 390 | W | 94.4 | Very high | 81.1 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 138.8 | 164.5 | -72.6 | 81.4 | 0 | 0 | 0 | 109.7 | L323 W344 H346 R351 L377 I379 E386 K454 I455 I457 | L323-W390 HydrophobicContact CD1-CB 3.89Å; L323-W390 HydrophobicContact CD1-CD2 4.22Å; L323-W390 HydrophobicContact CD1-CG 3.87Å; W344-W390 HydrophobicContact CE3-CE3 4.4Å; H346-W390 HydrophobicContact CB-CD2 3.85Å; H346-W390 HydrophobicContact CB-CE3 3.73Å; H346-W390 HydrophobicContact CB-CH2 3.85Å; H346-W390 HydrophobicContact CB-CZ2 3.93Å; H346-W390 HydrophobicContact CB-CZ3 3.75Å; H346-W390 AromaticContact CD2-CD1 3.63Å; H346-W390 AromaticContact CD2-CD2 3.75Å; H346-W390 AromaticContact CD2-CE2 3.28Å; H346-W390 AromaticContact CD2-CG 3.97Å; H346-W390 AromaticContact CD2-CZ2 3.71Å; H346-W390 AromaticContact CD2-NE1 3.22Å; H346-W390 PolarHBondContact CD2-NE1 3.05Å; H346-W390 AromaticContact CG-CE2 3.67Å; H346-W390 AromaticContact CG-CZ2 3.68Å; H346-W390 AromaticContact NE2-CE2 3.92Å; H346-W390 AromaticContact NE2-NE1 3.63Å; R351-W390 HydrophobicContact CB-CZ3 4.27Å; R351-W390 HydrophobicContact CG-CH2 4.02Å; R351-W390 HydrophobicContact CG-CZ3 3.7Å; L377-W390 HydrophobicContact CD1-CE3 4.49Å; L377-W390 HydrophobicContact CD1-CH2 4.25Å; L377-W390 HydrophobicContact CD1-CZ3 3.72Å; L377-W390 HydrophobicContact CD2-CD2 3.94Å; L377-W390 HydrophobicContact CD2-CE3 3.33Å; L377-W390 HydrophobicContact CD2-CH2 3.82Å; L377-W390 HydrophobicContact CD2-CZ2 4.37Å; L377-W390 HydrophobicContact CD2-CZ3 3.26Å; L377-W390 HydrophobicContact CG-CZ3 4.12Å; I379-W390 HydrophobicContact CD1-CH2 3.76Å; I379-W390 HydrophobicContact CD1-CZ2 3.53Å; E386-W390 HydrophobicContact CB-CZ2 4.45Å; E386-W390 HydrophobicContact CG-CZ2 4.36Å; E386-W390 PolarHBondContact O-NE1 2.94Å; W390-K454 CarbonylContact O-C 3.5Å; W390-K454 VanDerWaalsContact O-CA 3.24Å; W390-K454 WeakPolarHBondContact O-CA 3.45Å; W390-I455 HydrophobicContact CB-CG2 3.92Å; W390-I455 PolarHBondContact N-O 2.76Å; W390-I455 PolarHBondContact O-N 3.26Å; W390-I457 HydrophobicContact CG-CG1 4.4Å |
| 391 | I | 92.7 | Very high | 79.2 | Confident | 40 Ų | 40 | 52.9 Ų | 52.9 | 21% | 0.205 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 133.1 | -179.1 | -55 | 173.8 | 0 | 0 | 0 | 107.9 | W344 Y345 Q389 Y452 D453 K454 | W344-I391 CarbonylContact C-O 3.53Å; W344-I391 WeakPolarHBondContact CA-O 3.44Å; Y345-I391 PolarHBondContact N-O 3.15Å; Y345-I391 PolarHBondContact O-N 3.42Å; Q389-I391 HydrophobicContact CG-CG1 4.02Å; I391-Y452 HydrophobicContact CG2-CD2 3.93Å; I391-Y452 HydrophobicContact CG2-CG 4.21Å; I391-D453 WeakPolarHBondContact CA-O 3.41Å; I391-K454 HydrophobicContact CG1-CB 4.23Å |
| 392 | C | 94.7 | Very high | 77.1 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 125.3 | 162.7 | -175.6 | 0 | 0 | 0 | 0 | 109 | I307 V309 C325 E343 W344 Y452 D453 | I307-C392 HydrophobicContact CD1-CB 4.48Å; V309-C392 HydrophobicContact CG2-CB 3.4Å; V309-C392 VanDerWaalsContact CG2-CB 3.4Å; C325-C392 HydrophobicContact CB-CB 3.53Å; C325-C392 WeakPolarHBondContact CB-SG 3.45Å; C325-C392 WeakPolarHBondContact SG-CB 3.3Å; C325-C392 CovalentContact SG-SG 2.02Å; C325-C392 PolarHBondContact SG-SG 2.71Å; E343-C392 WeakPolarHBondContact O-CA 2.92Å; W344-C392 HydrophobicContact CD2-CB 4.41Å; W344-C392 HydrophobicContact CE3-CB 4.17Å; W344-C392 HydrophobicContact CH2-CB 4.33Å; W344-C392 HydrophobicContact CZ3-CB 4.13Å; C392-Y452 VanDerWaalsContact O-CA 3.23Å; C392-Y452 WeakPolarHBondContact O-CA 3.3Å; C392-Y452 VanDerWaalsContact O-CB 3.3Å; C392-Y452 WeakPolarHBondContact O-CB 3.45Å; C392-D453 PolarHBondContact N-O 3.37Å; C392-D453 PolarHBondContact O-N 2.92Å |
| 393 | L | 91.6 | Very high | 74.7 | Confident | 18 Ų | 18 | 58.2 Ų | 58.2 | 9% | 0.094 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 132.7 | -179.8 | 170.9 | 65.8 | 0 | 0 | 0 | 108.9 | E343 Y345 L450 | E343-L393 PolarHBondContact N-O 3.16Å; E343-L393 PolarHBondContact O-N 2.73Å; Y345-L393 HydrophobicContact CE2-CD2 4.18Å; L393-L450 HydrophobicContact CD1-CB 3.91Å; L393-L450 HydrophobicContact CD1-CD2 4.06Å; L393-L450 HydrophobicContact CD1-CG 4.49Å |
| 394 | E | 90.3 | Very high | 72.3 | Confident | 10 Ų | 10 | 64.3 Ų | 64.3 | 5% | 0.047 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 139.5 | 162.2 | -174.7 | -93.8 | -139 | 0 | 0 | 110.4 | K305 I307 F329 I340 S341 L342 S396 V451 | K305-E394 VanDerWaalsContact CE-CD 3.41Å; K305-E394 WeakPolarHBondContact CE-OE1 3.44Å; K305-E394 IonicContact NZ-OE1 3.26Å; K305-E394 PolarHBondContact NZ-OE1 3.24Å; K305-E394 IonicContact NZ-OE2 2.86Å; K305-E394 PolarHBondContact NZ-OE2 3.22Å; I307-E394 HydrophobicContact CD1-CB 4.3Å; F329-E394 HydrophobicContact CE1-CG 4.18Å; F329-E394 HydrophobicContact CZ-CG 4.08Å; I340-E394 HydrophobicContact CG2-CG 4.43Å; S341-E394 WeakPolarHBondContact O-CA 3.42Å; L342-E394 HydrophobicContact CD2-CB 3.75Å; L342-E394 HydrophobicContact CD2-CG 4.07Å; E394-S396 VanDerWaalsContact CD-N 3.35Å; E394-S396 VanDerWaalsContact OE1-CB 3.27Å; E394-S396 WeakPolarHBondContact OE1-CB 3.3Å; E394-S396 PolarHBondContact OE1-OG 3.35Å; E394-S396 PolarHBondContact OE2-N 2.88Å; E394-S396 PolarHBondContact OE2-OG 3Å; E394-V451 PolarHBondContact N-O 3.12Å |
| 395 | R | 84.5 | Confident | 70 | Confident | 108 Ų | 108 | 63.2 Ų | 63.2 | 41% | 0.408 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 125.2 | 158.5 | -77 | -163.2 | 168.7 | 130.1 | -0.1 | 110.3 | I340 S341 E343 Y345 | I340-R395 CarbonylContact C-O 3.53Å; I340-R395 WeakPolarHBondContact CA-O 3.27Å; S341-R395 PolarHBondContact N-O 2.93Å; S341-R395 PolarHBondContact O-N 3.23Å; E343-R395 WeakPolarHBondContact OE1-CD 2.98Å; E343-R395 IonicContact OE1-CZ 3.88Å; E343-R395 IonicContact OE1-NH1 2.83Å; E343-R395 PolarHBondContact OE1-NH1 2.57Å; E343-R395 IonicContact OE2-CZ 3.42Å; E343-R395 IonicContact OE2-NE 3.95Å; E343-R395 IonicContact OE2-NH1 3.13Å; E343-R395 PolarHBondContact OE2-NH1 3.15Å; Y345-R395 PolarHBondContact OH-NH1 3.14Å; Y345-R395 PolarHBondContact OH-NH2 3.31Å |
| 396 | S | 78.6 | Confident | 67.6 | Low | 35 Ų | 35 | 68.9 Ų | 68.9 | 25% | 0.245 | 35% | 0.346 | C | S | . | . | trans | -117.6 | 155.6 | 158.5 | 36.5 | 0 | 0 | 0 | 0 | 108.7 | E394 P398 | E394-S396 VanDerWaalsContact CD-N 3.35Å; E394-S396 VanDerWaalsContact OE1-CB 3.27Å; E394-S396 WeakPolarHBondContact OE1-CB 3.3Å; E394-S396 PolarHBondContact OE1-OG 3.35Å; E394-S396 PolarHBondContact OE2-N 2.88Å; E394-S396 PolarHBondContact OE2-OG 3Å; S396-P398 VanDerWaalsContact O-CD 3.28Å; S396-P398 WeakPolarHBondContact O-CD 3.4Å | ||
| 397 | N | 60.4 | Low | 64.9 | Low | 58 Ų | 58 | 70.5 Ų | 70.5 | 31% | 0.31 | 36% | 0.358 | S | S | . | . | trans | -77.1 | 114.5 | 179.6 | -171.5 | -12.3 | 0 | 0 | 0 | 110.3 | T339 M399 K400 | T339-N397 HydrophobicContact CG2-CB 3.79Å; T339-N397 PolarHBondContact OG1-N 2.88Å; N397-M399 PolarHBondContact O-N 2.85Å; N397-M399 WeakPolarHBondContact OD1-CB 3.19Å; N397-M399 PolarHBondContact OD1-N 3.14Å; N397-K400 PolarHBondContact O-N 3.12Å | ||
| 398 | P | 52.8 | Low | 62.2 | Low | 72 Ų | 72 | 76.7 Ų | 76.7 | 47% | 0.468 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.2 | -19.2 | -175 | 25.1 | -35 | 0 | 0 | 0 | 113.5 | S396 K400 N401 | S396-P398 VanDerWaalsContact O-CD 3.28Å; S396-P398 WeakPolarHBondContact O-CD 3.4Å; P398-K400 PolarHBondContact O-N 2.9Å; P398-K400 VanDerWaalsContact O-N 3.1Å; P398-N401 PolarHBondContact O-N 2.7Å |
| 399 | M | 42.6 | Very low | 59.5 | Low | 143 Ų | 143 | 81 Ų | 81 | 70% | 0.704 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -60.7 | -15.7 | 177.8 | -74.8 | -73.6 | 175.4 | 0 | 0 | 114.8 | N397 | N397-M399 PolarHBondContact O-N 2.85Å; N397-M399 WeakPolarHBondContact OD1-CB 3.19Å; N397-M399 PolarHBondContact OD1-N 3.14Å |
| 400 | K | 45.3 | Very low | 56.8 | Low | 84 Ų | 84 | 80.7 Ų | 80.7 | 37% | 0.365 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -91.9 | -37.1 | 172.4 | -73.6 | -178.8 | -178.7 | 173.1 | 0 | 113.8 | D337 N397 P398 I402 N403 Y404 | D337-K400 IonicContact OD1-NZ 2.9Å; D337-K400 PolarHBondContact OD1-NZ 3.2Å; D337-K400 WeakPolarHBondContact OD2-CD 3.35Å; D337-K400 IonicContact OD2-NZ 3.05Å; D337-K400 PolarHBondContact OD2-NZ 3.46Å; N397-K400 PolarHBondContact O-N 3.12Å; P398-K400 PolarHBondContact O-N 2.9Å; P398-K400 VanDerWaalsContact O-N 3.1Å; K400-I402 PolarHBondContact O-N 2.82Å; K400-N403 PolarHBondContact O-N 3.48Å; K400-N403 VanDerWaalsContact O-N 3.14Å; K400-Y404 WeakPolarHBondContact O-CD2 3.37Å |
| 401 | N | 38.6 | Very low | 53.8 | Low | 99 Ų | 99 | 87.5 Ų | 87.5 | 53% | 0.529 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -67.2 | -20 | -171.5 | -80.3 | -15.6 | 0 | 0 | 0 | 114.5 | P398 N403 T405 | P398-N401 PolarHBondContact O-N 2.7Å; N401-N403 VanDerWaalsContact C-N 3.35Å; N401-T405 PolarHBondContact O-OG1 3.39Å |
| 402 | I | 40.1 | Very low | 50.8 | Low | 109 Ų | 109 | 91.1 Ų | 91.1 | 56% | 0.559 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -72.3 | -27.8 | 176.7 | -64.9 | 171 | 0 | 0 | 0 | 112 | K400 | K400-I402 PolarHBondContact O-N 2.82Å |
| 403 | N | 36 | Very low | 47.8 | Very low | 111 Ų | 111 | 95.2 Ų | 95.2 | 59% | 0.594 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -89.9 | -25.1 | -174.4 | -71.5 | -9.3 | 0 | 0 | 0 | 113.8 | K400 N401 S407 | K400-N403 PolarHBondContact O-N 3.48Å; K400-N403 VanDerWaalsContact O-N 3.14Å; N401-N403 VanDerWaalsContact C-N 3.35Å; N403-S407 WeakPolarHBondContact O-CB 3.38Å; N403-S407 PolarHBondContact O-OG 2.85Å |
| 404 | Y | 36.3 | Very low | 44.8 | Very low | 163 Ų | 163 | 102.6 Ų | 102.6 | 64% | 0.639 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -81.9 | -24.3 | 178.3 | -72.1 | -77.2 | 0 | 0 | 0 | 113.8 | K400 | K400-Y404 WeakPolarHBondContact O-CD2 3.37Å |
| 405 | T | 37.7 | Very low | 41.9 | Very low | 110 Ų | 110 | 107.5 Ų | 107.5 | 68% | 0.675 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -90.2 | -12.2 | -179.1 | 48.2 | 0 | 0 | 0 | 0 | 114.4 | N401 | N401-T405 PolarHBondContact O-OG1 3.39Å |
| 406 | K | 36.2 | Very low | 39.1 | Very low | 165 Ų | 165 | 110.7 Ų | 110.7 | 72% | 0.717 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -112.9 | -2.2 | 176.3 | -79.6 | -175.1 | 173.6 | -179.6 | 0 | 115.5 | S410 | K406-S410 PolarHBondContact O-OG 3.48Å |
| 407 | S | 33.2 | Very low | 36.7 | Very low | 39 Ų | 39 | 113.9 Ų | 113.9 | 27% | 0.273 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -104.1 | -16.6 | 179.1 | 58.3 | 0 | 0 | 0 | 0 | 114.9 | N403 L411 | N403-S407 WeakPolarHBondContact O-CB 3.38Å; N403-S407 PolarHBondContact O-OG 2.85Å; S407-L411 WeakPolarHBondContact O-CD1 3.3Å |
| 408 | L | 34 | Very low | 35.2 | Very low | 154 Ų | 154 | 117.8 Ų | 117.8 | 81% | 0.806 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.1 | -3.3 | 179.5 | -96.3 | 75 | 0 | 0 | 0 | 115.3 | ||
| 409 | S | 36 | Very low | 34.1 | Very low | 102 Ų | 102 | 125.7 Ų | 125.7 | 71% | 0.713 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.9 | 3.4 | 179.6 | 53 | 0 | 0 | 0 | 0 | 114.8 | ||
| 410 | S | 36.2 | Very low | 33.3 | Very low | 75 Ų | 75 | 129.8 Ų | 129.8 | 52% | 0.524 | 68% | 0.684 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -129.2 | -13.1 | -178.9 | 53.8 | 0 | 0 | 0 | 0 | 114.4 | K406 S412 | K406-S410 PolarHBondContact O-OG 3.48Å; S410-S412 VanDerWaalsContact C-N 3.29Å; S410-S412 PolarHBondContact O-N 2.88Å |
| 411 | L | 30.8 | Very low | 32.6 | Very low | 143 Ų | 143 | 131.8 Ų | 131.8 | 75% | 0.749 | 70% | 0.699 | S | S | * | * | trans | -91 | 53.6 | 179 | -85.6 | 136.7 | 0 | 0 | 0 | 112.5 | S407 | S407-L411 WeakPolarHBondContact O-CD1 3.3Š| ||
| 412 | S | 29.8 | Very low | 32.3 | Very low | 115 Ų | 115 | 137.9 Ų | 137.9 | 80% | 0.804 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -127.2 | 24.4 | 170.8 | 56.7 | 0 | 0 | 0 | 0 | 112.9 | S410 | S410-S412 VanDerWaalsContact C-N 3.29Å; S410-S412 PolarHBondContact O-N 2.88Å |
| 413 | S | 32.6 | Very low | 31.9 | Very low | 86 Ų | 86 | 141.7 Ų | 141.7 | 60% | 0.601 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -154.8 | 165 | 162.2 | 61.2 | 0 | 0 | 0 | 0 | 109.1 | ||
| 414 | L | 27.7 | Very low | 31.3 | Very low | 174 Ų | 174 | 144.5 Ų | 144.5 | 91% | 0.911 | 74% | 0.743 | S | S | * | * | trans | 75.2 | 69.7 | -178.2 | -53.8 | 166.6 | 0 | 0 | 0 | 115.1 | ||||
| 415 | S | 29.8 | Very low | 31.1 | Very low | 113 Ų | 113 | 143.6 Ų | 143.6 | 79% | 0.79 | 75% | 0.749 | S | S | * | * | trans | -63.2 | 131 | 155.2 | 52.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 416 | M | 26.1 | Very low | 30.7 | Very low | 175 Ų | 175 | 145.2 Ų | 145.2 | 86% | 0.862 | 75% | 0.749 | S | S | * | * | S | Bend | trans | 51.3 | 140.6 | 154.2 | -63.1 | -131.2 | 76.8 | 0 | 0 | 121.4 | ||
| 417 | S | 27.7 | Very low | 30.3 | Very low | 101 Ų | 101 | 144.7 Ų | 144.7 | 71% | 0.706 | 75% | 0.747 | S | S | * | * | trans | 86.4 | 145 | 164.7 | 80.8 | 0 | 0 | 0 | 0 | 118 | ||||
| 418 | N | 28.6 | Very low | 30.1 | Very low | 141 Ų | 141 | 150.7 Ų | 150.7 | 75% | 0.754 | 78% | 0.776 | S | S | * | * | trans | 67.7 | 100.2 | 173.2 | -55.5 | -32 | 0 | 0 | 0 | 118.2 | ||||
| 419 | Y | 30.8 | Very low | 29.9 | Very low | 237 Ų | 237 | 151.7 Ų | 151.7 | 93% | 0.929 | 77% | 0.774 | S | S | * | * | -149.6 | 105.4 | 123.7 | -106.9 | -74.7 | 0 | 0 | 0 | 110.3 | |||||
| 420 | R | 26.2 | Very low | 29.7 | Very low | 229 Ų | 229 | 155.6 Ų | 155.6 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | trans | -122.9 | 151.4 | 169.2 | -131.7 | -175.6 | -171.5 | -175.8 | 2.5 | 106 | ||||
| 421 | N | 31 | Very low | 29.5 | Very low | 127 Ų | 127 | 157.1 Ų | 157.1 | 68% | 0.679 | 79% | 0.792 | S | S | * | * | trans | 73.2 | 142 | -172.5 | -44 | -29.2 | 0 | 0 | 0 | 112.2 | ||||
| 422 | Y | 30.7 | Very low | 29.3 | Very low | 227 Ų | 227 | 160 Ų | 160 | 89% | 0.89 | 80% | 0.799 | S | S | * | * | cis | -126.6 | 161 | 27.8 | -100.4 | -101.9 | 0 | 0 | 0 | 115.3 | ||||
| 423 | Q | 32.2 | Very low | 29.1 | Very low | 189 Ų | 189 | 159.4 Ų | 159.4 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | trans | -90.3 | 174.2 | -177.9 | -74.3 | -178.7 | -21 | 0 | 0 | 114.3 | ||||
| 424 | M | 24.5 | Very low | 28.8 | Very low | 170 Ų | 170 | 160.4 Ų | 160.4 | 84% | 0.837 | 80% | 0.799 | S | S | * | * | trans | -48.8 | 152.5 | 167.4 | -61.8 | -75.4 | -160.1 | 0 | 0 | 115.1 | ||||
| 425 | N | 31 | Very low | 28.9 | Very low | 143 Ų | 143 | 162.1 Ų | 162.1 | 77% | 0.765 | 79% | 0.794 | S | S | * | * | trans | 153.2 | 152.6 | 133.8 | -84.6 | 9.2 | 0 | 0 | 0 | 107.2 | ||||
| 426 | E | 29.5 | Very low | 29 | Very low | 145 Ų | 145 | 164 Ų | 164 | 68% | 0.678 | 79% | 0.791 | S | S | * | * | cis | 178.4 | 160.4 | -17.2 | -110.6 | -152.2 | 125 | 0 | 0 | 103.6 | ||||
| 427 | F | 28.2 | Very low | 28.9 | Very low | 154 Ų | 154 | 163.1 Ų | 163.1 | 68% | 0.675 | 79% | 0.79 | S | S | * | * | trans | 18.5 | 121.8 | 157 | -68.8 | -92.4 | 0 | 0 | 0 | 121.2 | ||||
| 428 | N | 29.6 | Very low | 29.1 | Very low | 164 Ų | 164 | 166.2 Ų | 166.2 | 88% | 0.877 | 80% | 0.797 | S | S | * | * | -156.9 | 149.5 | 99.1 | -109 | -43.4 | 0 | 0 | 0 | 114.7 | |||||
| 429 | K | 29.1 | Very low | 29 | Very low | 175 Ų | 175 | 165 Ų | 165 | 76% | 0.761 | 80% | 0.8 | S | S | * | * | trans | -87.6 | 137.8 | 169.8 | -64.2 | 167.2 | 177.2 | 169.3 | 0 | 108.8 | ||||
| 430 | Q | 32.5 | Very low | 29 | Very low | 185 Ų | 185 | 159.8 Ų | 159.8 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | trans | -177.8 | 140.8 | 135.1 | -102.2 | 156.8 | 13.9 | 0 | 0 | 112.7 | ||||
| 431 | S | 32 | Very low | 29.1 | Very low | 106 Ų | 106 | 153.4 Ų | 153.4 | 74% | 0.741 | 78% | 0.781 | S | S | * | * | trans | 44.2 | 121.9 | 153.9 | 53.4 | 0 | 0 | 0 | 0 | 122 | ||||
| 432 | F | 25.2 | Very low | 28.9 | Very low | 205 Ų | 205 | 158.4 Ų | 158.4 | 90% | 0.899 | 79% | 0.792 | S | S | * | * | trans | -43.9 | 145.6 | 144.9 | -72 | -87.1 | 0 | 0 | 0 | 111.1 | ||||
| 433 | P | 27.3 | Very low | 28.9 | Very low | 101 Ų | 101 | 154.3 Ų | 154.3 | 66% | 0.656 | 79% | 0.785 | S | S | * | * | -147.4 | 169.1 | 62.7 | 38.3 | -18.1 | 0 | 0 | 0 | 118.4 | Y435 | P433-Y435 WeakPolarHBondContact O-CD2 3.23Š| |||
| 434 | S | 24.4 | Very low | 28.6 | Very low | 107 Ų | 107 | 151.1 Ų | 151.1 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | trans | -5.4 | 110.9 | 161.2 | 175.7 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 435 | Y | 30.2 | Very low | 29.1 | Very low | 210 Ų | 210 | 148 Ų | 148 | 82% | 0.824 | 77% | 0.766 | S | S | * | * | trans | -131.1 | 125.2 | 156.1 | -83.6 | -83.6 | 0 | 0 | 0 | 113 | P433 | P433-Y435 WeakPolarHBondContact O-CD2 3.23Š| ||
| 436 | H | 31.7 | Very low | 29.1 | Very low | 153 Ų | 153 | 144.9 Ų | 144.9 | 71% | 0.708 | 76% | 0.756 | S | S | * | * | trans | -14.4 | 132.3 | 167.7 | -66 | -91.6 | 0 | 0 | 0 | 120.1 | L438 | H436-L438 PolarHBondContact O-N 2.92Š| ||
| 437 | N | 25.5 | Very low | 29.3 | Very low | 157 Ų | 157 | 144.9 Ų | 144.9 | 84% | 0.84 | 76% | 0.761 | S | S | * | * | trans | 13.2 | 91.7 | 137.7 | -65 | -8.1 | 0 | 0 | 0 | 117.3 | ||||
| 438 | L | 31.4 | Very low | 30.3 | Very low | 165 Ų | 165 | 142.8 Ų | 142.8 | 86% | 0.864 | 76% | 0.755 | S | S | * | * | trans | -107.8 | 113.7 | 138 | -101.6 | 81.4 | 0 | 0 | 0 | 108.7 | H436 V440 | H436-L438 PolarHBondContact O-N 2.92Å; L438-V440 PolarHBondContact O-N 3.26Å | ||
| 439 | S | 26.9 | Very low | 31.4 | Very low | 117 Ų | 117 | 141.8 Ų | 141.8 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | trans | -70.6 | 94 | 175.4 | 51.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 440 | V | 30.7 | Very low | 33.4 | Very low | 126 Ų | 126 | 138.2 Ų | 138.2 | 76% | 0.764 | 74% | 0.739 | S | S | * | * | trans | -68.9 | 123.2 | 157.4 | -178.7 | 0 | 0 | 0 | 0 | 106.6 | L438 Y442 | L438-V440 PolarHBondContact O-N 3.26Å; V440-Y442 PolarHBondContact O-N 2.8Å | ||
| 441 | P | 28.1 | Very low | 35.9 | Very low | 96 Ų | 96 | 131.3 Ų | 131.3 | 62% | 0.623 | 71% | 0.709 | S | S | * | * | trans | -65.7 | 114.4 | -176.7 | 25.4 | -32.9 | 0 | 0 | 0 | 109.8 | N443 | P441-N443 PolarHBondContact O-N 2.71Š| ||
| 442 | Y | 26.3 | Very low | 38.7 | Very low | 232 Ų | 232 | 132.4 Ų | 132.4 | 91% | 0.91 | 70% | 0.698 | S | S | * | * | trans | -65.5 | 84.4 | 162.3 | -119.2 | -93.6 | 0 | 0 | 0 | 107.3 | V440 N444 | V440-Y442 PolarHBondContact O-N 2.8Å; Y442-N444 PolarHBondContact O-N 3.34Å | ||
| 443 | N | 31.3 | Very low | 42 | Very low | 140 Ų | 140 | 125 Ų | 125 | 75% | 0.749 | 67% | 0.668 | S | S | * | * | trans | -63.9 | 107.9 | 172.6 | -84.4 | -4.4 | 0 | 0 | 0 | 107.8 | P441 | P441-N443 PolarHBondContact O-N 2.71Š| ||
| 444 | N | 26.3 | Very low | 45.1 | Very low | 122 Ų | 122 | 126 Ų | 126 | 65% | 0.652 | 66% | 0.662 | S | S | * | * | trans | -46.1 | 124.7 | 179.3 | -160.5 | 2.4 | 0 | 0 | 0 | 109.9 | Y442 S446 | Y442-N444 PolarHBondContact O-N 3.34Å; N444-S446 VanDerWaalsContact CG-OG 3.27Å; N444-S446 PolarHBondContact ND2-OG 3.16Å; N444-S446 PolarHBondContact O-N 2.96Å | ||
| 445 | P | 33.4 | Very low | 48.4 | Very low | 104 Ų | 104 | 122 Ų | 122 | 68% | 0.675 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -72.9 | 21 | -178.9 | 31.6 | -36.9 | 0 | 0 | 0 | 113.1 | N447 | P445-N447 VanDerWaalsContact C-N 3.32Å; P445-N447 PolarHBondContact O-N 3.36Å |
| 446 | S | 32 | Very low | 51.4 | Low | 78 Ų | 78 | 119.6 Ų | 119.6 | 55% | 0.545 | 62% | 0.622 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.1 | 16.2 | -166 | 65.7 | 0 | 0 | 0 | 0 | 114.7 | N444 | N444-S446 VanDerWaalsContact CG-OG 3.27Å; N444-S446 PolarHBondContact ND2-OG 3.16Å; N444-S446 PolarHBondContact O-N 2.96Å |
| 447 | N | 33.6 | Very low | 54.3 | Low | 146 Ų | 146 | 112.3 Ų | 112.3 | 78% | 0.781 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -148.4 | 50.8 | 178 | -119.9 | 12 | 0 | 0 | 0 | 112 | P445 D449 | P445-N447 VanDerWaalsContact C-N 3.32Å; P445-N447 PolarHBondContact O-N 3.36Å; N447-D449 PolarHBondContact O-N 3.24Å |
| 448 | I | 48.5 | Very low | 57.4 | Low | 110 Ų | 110 | 110.2 Ų | 110.2 | 56% | 0.564 | 57% | 0.573 | S | S | * | * | trans | -77.7 | 111 | 156.9 | -61 | 174.4 | 0 | 0 | 0 | 105.9 | L450 | I448-L450 HydrophobicContact CG2-CD2 3.95Å; I448-L450 HydrophobicContact CG2-CG 4.21Å; I448-L450 PolarHBondContact O-N 3.42Å | ||
| 449 | D | 54.2 | Low | 60.2 | Low | 143 Ų | 143 | 103.7 Ų | 103.7 | 77% | 0.765 | 54% | 0.539 | S | S | * | . | trans | -64.9 | 86.3 | 172.5 | -89.7 | -29.6 | 0 | 0 | 0 | 109.9 | N447 V451 | N447-D449 PolarHBondContact O-N 3.24Å; D449-V451 PolarHBondContact O-N 2.95Å; D449-V451 VanDerWaalsContact O-N 3.16Å | ||
| 450 | L | 70 | Confident | 63 | Low | 100 Ų | 100 | 100.9 Ų | 100.9 | 52% | 0.524 | 52% | 0.515 | S | S | . | . | trans | -73.1 | 102.3 | 172.6 | -68 | 174.6 | 0 | 0 | 0 | 108.2 | L393 I448 Y452 | L393-L450 HydrophobicContact CD1-CB 3.91Å; L393-L450 HydrophobicContact CD1-CD2 4.06Å; L393-L450 HydrophobicContact CD1-CG 4.49Å; I448-L450 HydrophobicContact CG2-CD2 3.95Å; I448-L450 HydrophobicContact CG2-CG 4.21Å; I448-L450 PolarHBondContact O-N 3.42Å; L450-Y452 HydrophobicContact CB-CD1 4.37Å; L450-Y452 VanDerWaalsContact O-CD1 3.23Å; L450-Y452 WeakPolarHBondContact O-CD1 3.02Å; L450-Y452 PolarHBondContact O-N 3.39Å | ||
| 451 | V | 85 | Confident | 65.5 | Low | 40 Ų | 40 | 99 Ų | 99 | 24% | 0.242 | 50% | 0.5 | C | S | . | . | trans | -81.8 | 102.6 | 176 | -176.9 | 0 | 0 | 0 | 0 | 108.4 | K305 I307 E394 D449 | K305-V451 HydrophobicContact CD-CB 4.49Å; K305-V451 HydrophobicContact CD-CG2 4.4Å; K305-V451 HydrophobicContact CG-CG1 4.3Å; I307-V451 HydrophobicContact CB-CG1 4.1Å; I307-V451 HydrophobicContact CG2-CG1 3.59Å; E394-V451 PolarHBondContact N-O 3.12Å; D449-V451 PolarHBondContact O-N 2.95Å; D449-V451 VanDerWaalsContact O-N 3.16Å | ||
| 452 | Y | 91.1 | Very high | 67.3 | Low | 129 Ų | 129 | 100.3 Ų | 100.3 | 51% | 0.506 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 160.5 | 177.4 | 69.3 | -92.1 | 0 | 0 | 0 | 111.5 | I391 C392 L450 | I391-Y452 HydrophobicContact CG2-CD2 3.93Å; I391-Y452 HydrophobicContact CG2-CG 4.21Å; C392-Y452 VanDerWaalsContact O-CA 3.23Å; C392-Y452 WeakPolarHBondContact O-CA 3.3Å; C392-Y452 VanDerWaalsContact O-CB 3.3Å; C392-Y452 WeakPolarHBondContact O-CB 3.45Å; L450-Y452 HydrophobicContact CB-CD1 4.37Å; L450-Y452 VanDerWaalsContact O-CD1 3.23Å; L450-Y452 WeakPolarHBondContact O-CD1 3.02Å; L450-Y452 PolarHBondContact O-N 3.39Å |
| 453 | D | 93.2 | Very high | 68.6 | Low | 49 Ų | 49 | 94.3 Ų | 94.3 | 26% | 0.262 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 161.9 | 165.6 | -174.7 | 28.7 | 0 | 0 | 0 | 109.8 | I307 T308 V309 I391 C392 | I307-D453 HydrophobicContact CG2-CB 3.97Å; T308-D453 WeakPolarHBondContact CA-OD2 3.33Å; V309-D453 HydrophobicContact CG2-CB 4.09Å; V309-D453 PolarHBondContact N-OD2 2.84Å; I391-D453 WeakPolarHBondContact CA-O 3.41Å; C392-D453 PolarHBondContact N-O 3.37Å; C392-D453 PolarHBondContact O-N 2.92Å |
| 454 | K | 92.9 | Very high | 69.6 | Low | 123 Ų | 123 | 94.1 Ų | 94.1 | 54% | 0.535 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 145.7 | -169.5 | 61.2 | 176.2 | 180 | 175.3 | 0 | 112.4 | Q389 W390 I391 | Q389-K454 HydrophobicContact CG-CB 4.32Å; Q389-K454 VanDerWaalsContact NE2-CD 3.27Å; W390-K454 CarbonylContact O-C 3.5Å; W390-K454 VanDerWaalsContact O-CA 3.24Å; W390-K454 WeakPolarHBondContact O-CA 3.45Å; I391-K454 HydrophobicContact CG1-CB 4.23Å |
| 455 | I | 93 | Very high | 70.6 | Confident | 22 Ų | 22 | 95 Ų | 95 | 11% | 0.113 | 50% | 0.499 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 145.6 | 168.5 | -168.5 | 169.4 | 0 | 0 | 0 | 109.1 | V309 L323 W390 I457 | V309-I455 HydrophobicContact CG1-CB 3.84Å; V309-I455 HydrophobicContact CG1-CG2 3.53Å; L323-I455 HydrophobicContact CD1-CG2 3.76Å; L323-I455 HydrophobicContact CD2-CD1 4.32Å; L323-I455 HydrophobicContact CD2-CG2 4.31Å; W390-I455 HydrophobicContact CB-CG2 3.92Å; W390-I455 PolarHBondContact N-O 2.76Å; W390-I455 PolarHBondContact O-N 3.26Å; I455-I457 HydrophobicContact CD1-CD1 4.06Å; I455-I457 HydrophobicContact CG1-CD1 4.02Å; I455-I457 HydrophobicContact CG2-CD1 4Å; I455-I457 HydrophobicContact CG2-CG1 4.47Å |
| 456 | Y | 95.1 | Very high | 71.3 | Confident | 159 Ų | 159 | 94.3 Ų | 94.3 | 62% | 0.624 | 49% | 0.493 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 130.3 | 172.4 | -166.2 | -86.1 | 0 | 0 | 0 | 108.6 | Q389 | Q389-Y456 HydrophobicContact CB-CD2 4.35Å |
| 457 | I | 92.5 | Very high | 71.8 | Confident | 0 Ų | 0 | 98.5 Ų | 98.5 | 0% | 0 | 50% | 0.504 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 118.1 | -177.7 | -50.1 | -63.3 | 0 | 0 | 0 | 108.9 | P312 V315 L321 L323 G388 W390 I455 I459 | P312-I457 WeakPolarHBondContact O-CD1 3.08Å; V315-I457 HydrophobicContact CG2-CG2 3.96Å; L321-I457 HydrophobicContact CD2-CG2 4.14Å; L323-I457 HydrophobicContact CD1-CD1 4.25Å; L323-I457 HydrophobicContact CD1-CG1 4.45Å; L323-I457 HydrophobicContact CD2-CD1 3.86Å; G388-I457 PolarHBondContact N-O 3.49Å; G388-I457 PolarHBondContact O-N 3.09Å; W390-I457 HydrophobicContact CG-CG1 4.4Å; I455-I457 HydrophobicContact CD1-CD1 4.06Å; I455-I457 HydrophobicContact CG1-CD1 4.02Å; I455-I457 HydrophobicContact CG2-CD1 4Å; I455-I457 HydrophobicContact CG2-CG1 4.47Å; I457-I459 HydrophobicContact CG2-CG1 4.34Å |
| 458 | E | 90.7 | Very high | 71.7 | Confident | 113 Ų | 113 | 97 Ų | 97 | 53% | 0.528 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 140.6 | 167.6 | -171.5 | 167.7 | -170.9 | 0 | 0 | 109.6 | N313 L314 V315 | N313-E458 PolarHBondContact O-N 2.92Å; L314-E458 WeakPolarHBondContact CA-O 3.36Å; V315-E458 PolarHBondContact N-O 3.34Å |
| 459 | I | 88.6 | Confident | 71 | Confident | 28 Ų | 28 | 97.4 Ų | 97.4 | 14% | 0.144 | 51% | 0.512 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 126.1 | -178.5 | -59 | 175.2 | 0 | 0 | 0 | 107.7 | V315 V382 S383 E386 A387 I457 | V315-I459 CarbonylContact O-C 3.58Å; V315-I459 VanDerWaalsContact O-CA 3.29Å; V315-I459 WeakPolarHBondContact O-CA 3.22Å; V382-I459 HydrophobicContact CG1-CD1 3.28Å; V382-I459 HydrophobicContact CG1-CG1 3.73Å; V382-I459 HydrophobicContact CG1-CG2 4.08Å; S383-I459 WeakPolarHBondContact O-CD1 3.23Å; E386-I459 HydrophobicContact CB-CD1 4.22Å; A387-I459 HydrophobicContact CB-CD1 3.76Å; A387-I459 HydrophobicContact CB-CG1 4.1Å; A387-I459 VanDerWaalsContact N-CD1 3.32Å; I457-I459 HydrophobicContact CG2-CG1 4.34Å |
| 460 | I | 87.3 | Confident | 69.9 | Low | 59 Ų | 59 | 99.1 Ų | 99.1 | 30% | 0.303 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 119.7 | -179.1 | -61.2 | -172.8 | 0 | 0 | 0 | 109 | L314 V315 F316 Y317 | L314-I460 HydrophobicContact CD1-CD1 3.69Å; L314-I460 HydrophobicContact CD2-CD1 3.94Å; L314-I460 HydrophobicContact CG-CD1 3.79Å; L314-I460 HydrophobicContact CG-CG1 4.32Å; V315-I460 PolarHBondContact O-N 3.41Å; F316-I460 CarbonylContact C-O 3.52Å; F316-I460 VanDerWaalsContact CA-O 3.31Å; F316-I460 WeakPolarHBondContact CA-O 2.99Å; F316-I460 HydrophobicContact CD1-CB 4.21Å; F316-I460 HydrophobicContact CD1-CG2 4.25Å; F316-I460 HydrophobicContact CE1-CB 4.44Å; F316-I460 HydrophobicContact CE1-CG2 4.21Å; Y317-I460 PolarHBondContact N-O 2.94Å |
| 461 | D | 82.2 | Confident | 68.1 | Low | 85 Ų | 85 | 102.2 Ų | 102.2 | 46% | 0.455 | 53% | 0.529 | S | S | . | . | P | Polyproline II helix | trans | -69 | 135.6 | 165 | -82.3 | 4.9 | 0 | 0 | 0 | 109.7 | Y317 P463 | Y317-D461 WeakPolarHBondContact CB-OD1 3.35Å; Y317-D461 WeakPolarHBondContact CD2-OD1 3.47Å; Y317-D461 VanDerWaalsContact CG-OD1 3.31Å; D461-P463 WeakPolarHBondContact O-CD 3.4Å |
| 462 | I | 65.5 | Low | 65.8 | Low | 124 Ų | 124 | 106.4 Ų | 106.4 | 64% | 0.636 | 56% | 0.555 | S | S | * | * | P | Polyproline II helix | trans | -69 | 122.3 | 167.7 | -59.1 | 174.6 | 0 | 0 | 0 | 106.1 | F316 D464 | F316-I462 HydrophobicContact CD1-CG1 4.13Å; I462-D464 PolarHBondContact O-N 3.31Å |
| 463 | P | 54.5 | Low | 63 | Low | 106 Ų | 106 | 106.6 Ų | 106.6 | 69% | 0.688 | 57% | 0.57 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 126.4 | -177.5 | 24.8 | -33.6 | 0 | 0 | 0 | 110.1 | D461 T465 | D461-P463 WeakPolarHBondContact O-CD 3.4Å; P463-T465 PolarHBondContact O-N 3.16Å; P463-T465 VanDerWaalsContact O-N 3.15Å |
| 464 | D | 51.1 | Low | 60.3 | Low | 137 Ų | 137 | 112.9 Ų | 112.9 | 73% | 0.733 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 120.3 | 173.4 | -103 | -24.4 | 0 | 0 | 0 | 109.7 | I462 T466 | I462-D464 PolarHBondContact O-N 3.31Å; D464-T466 PolarHBondContact O-N 2.89Å |
| 465 | T | 49.1 | Very low | 57.5 | Low | 140 Ų | 140 | 111.8 Ų | 111.8 | 86% | 0.859 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | 16.8 | -177.8 | 46.3 | 0 | 0 | 0 | 0 | 113.2 | P463 | P463-T465 PolarHBondContact O-N 3.16Å; P463-T465 VanDerWaalsContact O-N 3.15Å |
| 466 | T | 47 | Very low | 54.8 | Low | 89 Ų | 89 | 116.7 Ų | 116.7 | 55% | 0.546 | 64% | 0.636 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.1 | -9.9 | -176.5 | 56.3 | 0 | 0 | 0 | 0 | 113.8 | D464 | D464-T466 PolarHBondContact O-N 2.89Š|
| 467 | H | 43 | Very low | 52.1 | Low | 167 Ų | 167 | 115.8 Ų | 115.8 | 77% | 0.773 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -111.6 | 111.9 | 168.8 | -78.8 | -74.2 | 0 | 0 | 0 | 112.1 | V469 | H467-V469 PolarHBondContact O-N 3.31Š|
| 468 | S | 30.2 | Very low | 49.4 | Very low | 113 Ų | 113 | 125 Ų | 125 | 79% | 0.79 | 68% | 0.681 | S | S | * | * | trans | -59.8 | 114.4 | -176.9 | 55.2 | 0 | 0 | 0 | 0 | 113.3 | Q470 | S468-Q470 PolarHBondContact O-N 2.98Š| ||
| 469 | V | 34.1 | Very low | 46.8 | Very low | 120 Ų | 120 | 124.9 Ų | 124.9 | 73% | 0.727 | 69% | 0.688 | S | S | * | * | trans | -79.8 | 110.4 | 158.5 | -179.7 | 0 | 0 | 0 | 0 | 108 | H467 M471 | H467-V469 PolarHBondContact O-N 3.31Å; V469-M471 HydrophobicContact CG1-CG 4.24Å; V469-M471 PolarHBondContact O-N 3.15Å | ||
| 470 | Q | 32.6 | Very low | 44.6 | Very low | 179 Ų | 179 | 131.8 Ų | 131.8 | 84% | 0.836 | 72% | 0.72 | S | S | * | * | trans | -65.1 | 89.7 | 160.3 | -76 | -178.7 | -66.5 | 0 | 0 | 108.5 | S468 T472 | S468-Q470 PolarHBondContact O-N 2.98Å; Q470-T472 VanDerWaalsContact C-N 3.32Å; Q470-T472 PolarHBondContact O-N 3.06Å | ||
| 471 | M | 32.3 | Very low | 42 | Very low | 164 Ų | 164 | 138.5 Ų | 138.5 | 81% | 0.808 | 75% | 0.748 | S | S | * | * | trans | -66.8 | 94.2 | 162.3 | -81.4 | -78.7 | -153.8 | 0 | 0 | 107.9 | V469 T473 | V469-M471 HydrophobicContact CG1-CG 4.24Å; V469-M471 PolarHBondContact O-N 3.15Å; M471-T473 PolarHBondContact O-N 2.88Å | ||
| 472 | T | 35.6 | Very low | 40.3 | Very low | 128 Ų | 128 | 142.2 Ų | 142.2 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | trans | -62 | 107.6 | 167.1 | 22.2 | 0 | 0 | 0 | 0 | 108.9 | Q470 Q474 | Q470-T472 VanDerWaalsContact C-N 3.32Å; Q470-T472 PolarHBondContact O-N 3.06Å; T472-Q474 VanDerWaalsContact C-N 3.35Å; T472-Q474 PolarHBondContact O-N 3.09Å | ||
| 473 | T | 32.3 | Very low | 38.7 | Very low | 133 Ų | 133 | 139 Ų | 139 | 82% | 0.816 | 76% | 0.76 | S | S | * | * | trans | -66.8 | 90.7 | 173.9 | 50.5 | 0 | 0 | 0 | 0 | 110 | M471 S475 | M471-T473 PolarHBondContact O-N 2.88Å; T473-S475 PolarHBondContact O-N 3.12Å; T473-S475 VanDerWaalsContact O-N 3.15Å | ||
| 474 | Q | 36.1 | Very low | 37.9 | Very low | 182 Ų | 182 | 144.8 Ų | 144.8 | 85% | 0.85 | 77% | 0.769 | S | S | * | * | trans | -73.4 | 99.3 | 158.5 | -79.4 | -171.2 | -16.7 | 0 | 0 | 108 | T472 T476 | T472-Q474 VanDerWaalsContact C-N 3.35Å; T472-Q474 PolarHBondContact O-N 3.09Å; Q474-T476 PolarHBondContact O-N 3.07Å; Q474-T476 VanDerWaalsContact O-N 3.09Å | ||
| 475 | S | 34.3 | Very low | 37.3 | Very low | 100 Ų | 100 | 153.4 Ų | 153.4 | 70% | 0.699 | 79% | 0.792 | S | S | * | * | trans | -66.9 | 100.8 | 171.3 | 52.8 | 0 | 0 | 0 | 0 | 109.7 | T473 I477 | T473-S475 PolarHBondContact O-N 3.12Å; T473-S475 VanDerWaalsContact O-N 3.15Å; S475-I477 PolarHBondContact O-N 3.35Å; S475-I477 VanDerWaalsContact O-N 3.07Å | ||
| 476 | T | 35.7 | Very low | 36.7 | Very low | 124 Ų | 124 | 154.1 Ų | 154.1 | 76% | 0.761 | 79% | 0.788 | S | S | * | * | trans | -68.1 | 104.6 | 171.1 | -30 | 0 | 0 | 0 | 0 | 108.9 | Q474 F478 | Q474-T476 PolarHBondContact O-N 3.07Å; Q474-T476 VanDerWaalsContact O-N 3.09Å; T476-F478 PolarHBondContact O-N 3.13Å; T476-F478 VanDerWaalsContact O-N 3.12Å | ||
| 477 | I | 38.2 | Very low | 36.2 | Very low | 140 Ų | 140 | 157.5 Ų | 157.5 | 72% | 0.718 | 80% | 0.801 | S | S | * | * | trans | -68.4 | 108.5 | 175.7 | -62.3 | 172.2 | 0 | 0 | 0 | 108 | S475 T479 | S475-I477 PolarHBondContact O-N 3.35Å; S475-I477 VanDerWaalsContact O-N 3.07Å; I477-T479 HydrophobicContact CG2-CG2 4.18Å; I477-T479 PolarHBondContact O-N 3.3Å | ||
| 478 | F | 36 | Very low | 35.8 | Very low | 193 Ų | 193 | 157 Ų | 157 | 85% | 0.846 | 80% | 0.803 | S | S | * | * | trans | -77.3 | 99.2 | 162.6 | -92.2 | -93.1 | 0 | 0 | 0 | 108.7 | T476 E480 | T476-F478 PolarHBondContact O-N 3.13Å; T476-F478 VanDerWaalsContact O-N 3.12Å; F478-E480 PolarHBondContact O-N 3.19Å | ||
| 479 | T | 37.4 | Very low | 36.1 | Very low | 111 Ų | 111 | 159.6 Ų | 159.6 | 68% | 0.681 | 80% | 0.803 | S | S | * | * | trans | -71.9 | 100.8 | 164.5 | 38.9 | 0 | 0 | 0 | 0 | 109.6 | I477 F481 | I477-T479 HydrophobicContact CG2-CG2 4.18Å; I477-T479 PolarHBondContact O-N 3.3Å; T479-F481 PolarHBondContact O-N 3.26Å | ||
| 480 | E | 40.9 | Very low | 36.3 | Very low | 174 Ų | 174 | 162.1 Ų | 162.1 | 81% | 0.813 | 81% | 0.808 | S | S | * | * | trans | -77 | 105.7 | 172.6 | -158.4 | 166.8 | -136.8 | 0 | 0 | 109.4 | F478 H482 | F478-E480 PolarHBondContact O-N 3.19Å; E480-H482 PolarHBondContact O-N 3.05Å | ||
| 481 | F | 34 | Very low | 36.5 | Very low | 200 Ų | 200 | 160.9 Ų | 160.9 | 88% | 0.877 | 81% | 0.806 | S | S | * | * | trans | -77.1 | 87.9 | 178.7 | -111.4 | -88.8 | 0 | 0 | 0 | 110.2 | T479 | T479-F481 PolarHBondContact O-N 3.26Š| ||
| 482 | H | 45.5 | Very low | 36.8 | Very low | 162 Ų | 162 | 160.7 Ų | 160.7 | 75% | 0.75 | 81% | 0.806 | S | S | * | * | trans | -93.7 | 95.1 | 165.7 | -114.7 | -55.6 | 0 | 0 | 0 | 110.4 | E480 | E480-H482 PolarHBondContact O-N 3.05Š| ||
| 483 | G | 33.7 | Very low | 36.9 | Very low | 58 Ų | 58 | 163.2 Ų | 163.2 | 60% | 0.598 | 81% | 0.808 | S | S | * | * | trans | -81.6 | 122.9 | 165.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 484 | Y | 37.3 | Very low | 37.3 | Very low | 226 Ų | 226 | 165.8 Ų | 165.8 | 89% | 0.886 | 81% | 0.807 | S | S | * | * | trans | -159.4 | 126.1 | 153.4 | -109.4 | -72.7 | 0 | 0 | 0 | 110.8 | ||||
| 485 | R | 38.1 | Very low | 37.4 | Very low | 319 Ų | 319 | 164.3 Ų | 164.3 | 100% | 1.204 | 80% | 0.803 | S | S | * | * | trans | 83.8 | 0 | 174.4 | -145.7 | 175.9 | -156.5 | -179.3 | 5.8 | 117.8 |
Retrieved 485 of 485 residues in 209.7 ms
(Link to these results)