| 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 | 53.6 | Low | 54.2 | Low | 236 Ų | 236 | 152.2 Ų | 152.2 | 100% | 1.163 | 85% | 0.85 | S | S | * | * | 0 | 131 | 0 | -74 | 173.8 | 162.1 | 0 | 0 | 106.8 | |||||
| 2 | S | 60.1 | Low | 54.1 | Low | 117 Ų | 117 | 158 Ų | 158 | 82% | 0.818 | 85% | 0.849 | S | S | * | * | trans | 54.3 | 108.1 | 173.9 | -42.5 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 3 | D | 50.3 | Low | 54 | Low | 154 Ų | 154 | 154.6 Ų | 154.6 | 82% | 0.824 | 83% | 0.825 | S | S | * | * | cis | 62.1 | 116.6 | 20.7 | -162.8 | 60.1 | 0 | 0 | 0 | 116.7 | ||||
| 4 | S | 65.7 | Low | 53.5 | Low | 120 Ų | 120 | 152.4 Ų | 152.4 | 84% | 0.839 | 83% | 0.828 | S | S | * | * | trans | 153.6 | 128.7 | 171.2 | -74.9 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 5 | G | 53 | Low | 53.6 | Low | 76 Ų | 76 | 156.5 Ų | 156.5 | 78% | 0.784 | 83% | 0.826 | S | S | * | * | cis | 175.8 | 141.7 | -6.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 6 | E | 53.7 | Low | 53.2 | Low | 173 Ų | 173 | 154.6 Ų | 154.6 | 81% | 0.808 | 83% | 0.83 | S | S | * | * | trans | -80.2 | 171.8 | -172.7 | -61.8 | 177.6 | 90.2 | 0 | 0 | 114.5 | ||||
| 7 | Q | 58.7 | Low | 53.4 | Low | 183 Ų | 183 | 151.6 Ų | 151.6 | 86% | 0.855 | 83% | 0.832 | S | S | * | * | trans | 133.3 | 147.8 | 157.9 | -73.1 | 154.9 | 97.9 | 0 | 0 | 111.7 | ||||
| 8 | N | 55.7 | Low | 53.1 | Low | 140 Ų | 140 | 149.9 Ų | 149.9 | 75% | 0.749 | 83% | 0.832 | S | S | * | * | cis | -142.5 | 167.2 | 13.3 | -156.8 | -5.2 | 0 | 0 | 0 | 113.2 | ||||
| 9 | Y | 46.1 | Very low | 53.1 | Low | 212 Ų | 212 | 155.1 Ų | 155.1 | 83% | 0.831 | 84% | 0.838 | S | S | * | * | trans | -81.3 | 165.8 | -178.7 | -68.2 | -105.8 | 0 | 0 | 0 | 113.5 | ||||
| 10 | G | 53.2 | Low | 53 | Low | 80 Ų | 80 | 153.6 Ų | 153.6 | 83% | 0.825 | 84% | 0.84 | S | S | * | * | trans | -171.9 | 38.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 11 | E | 46.1 | Very low | 52.7 | Low | 183 Ų | 183 | 150 Ų | 150 | 86% | 0.855 | 84% | 0.838 | S | S | * | * | trans | -73.8 | 138.1 | 168.6 | -71 | -178.4 | 81 | 0 | 0 | 112.3 | ||||
| 12 | R | 53.5 | Low | 52.4 | Low | 222 Ų | 222 | 144.4 Ų | 144.4 | 84% | 0.838 | 82% | 0.822 | S | S | * | * | trans | -179.7 | 155.1 | 130.3 | -102.7 | 161.3 | -173.5 | -87.3 | -5.7 | 117.5 | ||||
| 13 | E | 52.2 | Low | 52.1 | Low | 114 Ų | 114 | 143.4 Ų | 143.4 | 53% | 0.533 | 82% | 0.821 | S | S | . | * | trans | 63.6 | 89.3 | 151.7 | -75.1 | -176.4 | 58.9 | 0 | 0 | 121.4 | R15 | E13-R15 IonicContact OE1-CZ 3.42Å; E13-R15 IonicContact OE1-NE 2.74Å; E13-R15 PolarHBondContact OE1-NE 2.89Å; E13-R15 IonicContact OE1-NH2 2.69Å; E13-R15 PolarHBondContact OE1-NH2 2.85Å | ||
| 14 | S | 47.6 | Very low | 52 | Low | 124 Ų | 124 | 145.3 Ų | 145.3 | 87% | 0.867 | 82% | 0.824 | S | S | * | * | trans | -46.6 | 131.8 | 143.5 | 5.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 15 | R | 54.3 | Low | 51.1 | Low | 213 Ų | 213 | 143.6 Ų | 143.6 | 80% | 0.804 | 83% | 0.826 | S | S | * | * | trans | -138.1 | 119.2 | 157.2 | -65.5 | -168.4 | -177.8 | -162.1 | 0.2 | 111.1 | E13 | E13-R15 IonicContact OE1-CZ 3.42Å; E13-R15 IonicContact OE1-NE 2.74Å; E13-R15 PolarHBondContact OE1-NE 2.89Å; E13-R15 IonicContact OE1-NH2 2.69Å; E13-R15 PolarHBondContact OE1-NH2 2.85Å | ||
| 16 | S | 48.2 | Very low | 51.2 | Low | 127 Ų | 127 | 145.7 Ų | 145.7 | 89% | 0.888 | 83% | 0.829 | S | S | * | * | trans | -87.5 | 140 | 176.6 | 46.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 17 | A | 55.9 | Low | 51 | Low | 104 Ų | 104 | 140.7 Ų | 140.7 | 86% | 0.86 | 82% | 0.823 | S | S | * | * | trans | -122.2 | 88.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 18 | S | 48.1 | Very low | 50.7 | Low | 120 Ų | 120 | 142.1 Ų | 142.1 | 84% | 0.839 | 83% | 0.826 | S | S | * | * | trans | -73.9 | 132.4 | 170.2 | 48.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 19 | R | 53.1 | Low | 50.3 | Low | 249 Ų | 249 | 141.7 Ų | 141.7 | 94% | 0.94 | 83% | 0.834 | S | S | * | * | trans | -132.8 | 119 | 165.2 | -92.3 | -171.4 | 163.8 | -168.9 | -5.7 | 110.8 | ||||
| 20 | S | 51 | Low | 50.5 | Low | 125 Ų | 125 | 136.4 Ų | 136.4 | 87% | 0.874 | 84% | 0.835 | S | S | * | * | trans | -73.9 | 155.7 | 173 | 43.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 21 | G | 47 | Very low | 50.2 | Low | 79 Ų | 79 | 144.5 Ų | 144.5 | 81% | 0.814 | 84% | 0.841 | S | S | * | * | trans | -160.3 | 58.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 22 | S | 47.6 | Very low | 50.2 | Low | 118 Ų | 118 | 144.9 Ų | 144.9 | 83% | 0.825 | 84% | 0.842 | S | S | * | * | trans | -76.9 | 123.3 | 179.2 | 44.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 23 | A | 53.3 | Low | 50.3 | Low | 95 Ų | 95 | 140.1 Ų | 140.1 | 79% | 0.785 | 84% | 0.838 | S | S | * | * | trans | -141.4 | 137.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 24 | H | 48.8 | Very low | 50.1 | Low | 194 Ų | 194 | 140.7 Ų | 140.7 | 90% | 0.898 | 85% | 0.851 | S | S | * | * | trans | -80.8 | 154.6 | -169.7 | -57.2 | -99.1 | 0 | 0 | 0 | 113.3 | ||||
| 25 | G | 45.4 | Very low | 50 | Low | 84 Ų | 84 | 139.2 Ų | 139.2 | 87% | 0.866 | 85% | 0.846 | S | S | * | * | trans | -163.3 | 82.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 26 | S | 55.2 | Low | 49.5 | Very low | 121 Ų | 121 | 140.8 Ų | 140.8 | 85% | 0.846 | 85% | 0.852 | S | S | * | * | trans | -98.5 | 137.6 | -169.2 | 51.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 27 | G | 50.6 | Low | 49.2 | Very low | 67 Ų | 67 | 140.2 Ų | 140.2 | 69% | 0.691 | 85% | 0.848 | S | S | * | * | trans | 78.4 | 120.4 | 150.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 28 | K | 51.6 | Low | 48.7 | Very low | 213 Ų | 213 | 147.3 Ų | 147.3 | 93% | 0.926 | 85% | 0.853 | S | S | * | * | 179.2 | 110.9 | 93.5 | -93 | 163.3 | -176.3 | 175.3 | 0 | 111.6 | |||||
| 29 | S | 47 | Very low | 48.5 | Very low | 131 Ų | 131 | 147 Ų | 147 | 92% | 0.916 | 85% | 0.851 | S | S | * | * | trans | -82.3 | 125.4 | 169.7 | -64.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 30 | A | 50.9 | Low | 48.2 | Very low | 102 Ų | 102 | 144.3 Ų | 144.3 | 84% | 0.843 | 85% | 0.846 | S | S | * | * | trans | -124.1 | 92.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 31 | R | 46.8 | Very low | 47.9 | Very low | 250 Ų | 250 | 147.3 Ų | 147.3 | 94% | 0.943 | 85% | 0.846 | S | S | * | * | trans | -103 | 117.6 | 166.9 | -70.1 | -174.1 | 176.6 | -151.3 | 0.6 | 108 | ||||
| 32 | H | 45.3 | Very low | 47.6 | Very low | 190 Ų | 190 | 148.5 Ų | 148.5 | 88% | 0.88 | 83% | 0.834 | S | S | * | * | trans | -110.7 | 115.9 | 177.4 | -146.1 | -41.7 | 0 | 0 | 0 | 109.8 | ||||
| 33 | T | 56.4 | Low | 47.5 | Very low | 123 Ų | 123 | 148.6 Ų | 148.6 | 76% | 0.755 | 83% | 0.834 | S | S | * | * | trans | -85.2 | 147.3 | 169.3 | 42.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 34 | P | 47.6 | Very low | 46.9 | Very low | 125 Ų | 125 | 153.9 Ų | 153.9 | 81% | 0.812 | 83% | 0.834 | S | S | * | * | trans | -94.7 | 144.2 | 173.7 | 35.6 | -32.1 | 0 | 0 | 0 | 111.6 | ||||
| 35 | A | 46.6 | Very low | 46.3 | Very low | 93 Ų | 93 | 157 Ų | 157 | 77% | 0.769 | 84% | 0.838 | S | S | * | * | trans | -156.1 | 154.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 36 | R | 42.3 | Very low | 46 | Very low | 246 Ų | 246 | 158.5 Ų | 158.5 | 93% | 0.928 | 84% | 0.835 | S | S | * | * | trans | 74.8 | 109.9 | 163.8 | -64.4 | -173.3 | 168.6 | -162.6 | -6.8 | 119 | ||||
| 37 | S | 43.5 | Very low | 45.2 | Very low | 115 Ų | 115 | 164.8 Ų | 164.8 | 80% | 0.804 | 84% | 0.84 | S | S | * | * | trans | -77.5 | 157.3 | 160.7 | 45.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 38 | R | 45.4 | Very low | 44.8 | Very low | 254 Ų | 254 | 166.4 Ų | 166.4 | 96% | 0.958 | 84% | 0.841 | S | S | * | * | trans | -145.7 | 151.8 | 156.1 | -75.7 | -166.3 | 166.3 | 167 | -5 | 109.5 | ||||
| 39 | S | 43.9 | Very low | 44.4 | Very low | 113 Ų | 113 | 165.7 Ų | 165.7 | 79% | 0.79 | 84% | 0.838 | S | S | * | * | trans | -132.7 | 157.3 | -171 | 49.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 40 | K | 46.8 | Very low | 44.2 | Very low | 193 Ų | 193 | 163.4 Ų | 163.4 | 84% | 0.839 | 82% | 0.822 | S | S | * | * | trans | 164.6 | 131.8 | 161.2 | -93.6 | 159.2 | -177.4 | -171.4 | 0 | 106.6 | ||||
| 41 | E | 43.5 | Very low | 43.7 | Very low | 188 Ų | 188 | 170 Ų | 170 | 88% | 0.879 | 83% | 0.825 | S | S | * | * | cis | 65 | 137.6 | 43.3 | -64.8 | -170.3 | 131 | 0 | 0 | 114.1 | ||||
| 42 | D | 41.9 | Very low | 43.6 | Very low | 104 Ų | 104 | 163.2 Ų | 163.2 | 56% | 0.556 | 82% | 0.816 | S | S | * | * | cis | -150.1 | 162.1 | -15.2 | 179.8 | 14.3 | 0 | 0 | 0 | 106.1 | R44 | D42-R44 IonicContact OD1-NE 3.93Å; D42-R44 IonicContact OD2-CZ 3.71Å; D42-R44 IonicContact OD2-NE 3.42Å; D42-R44 PolarHBondContact OD2-NE 3.42Å; D42-R44 IonicContact OD2-NH2 3.1Å; D42-R44 PolarHBondContact OD2-NH2 3.1Å; D42-R44 VanDerWaalsContact OD2-NH2 3.1Å | ||
| 43 | S | 45.1 | Very low | 43.1 | Very low | 119 Ų | 119 | 166.3 Ų | 166.3 | 83% | 0.832 | 82% | 0.82 | S | S | * | * | trans | 176.2 | 153.9 | 145.1 | 42.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 44 | R | 39.9 | Very low | 42.6 | Very low | 207 Ų | 207 | 165.7 Ų | 165.7 | 78% | 0.781 | 82% | 0.821 | S | S | * | * | trans | -136.2 | 142.5 | -165.6 | -44.3 | 168.9 | -161.8 | 172 | 4.7 | 110.5 | D42 | D42-R44 IonicContact OD1-NE 3.93Å; D42-R44 IonicContact OD2-CZ 3.71Å; D42-R44 IonicContact OD2-NE 3.42Å; D42-R44 PolarHBondContact OD2-NE 3.42Å; D42-R44 IonicContact OD2-NH2 3.1Å; D42-R44 PolarHBondContact OD2-NH2 3.1Å; D42-R44 VanDerWaalsContact OD2-NH2 3.1Å | ||
| 45 | R | 37 | Very low | 42 | Very low | 258 Ų | 258 | 168.3 Ų | 168.3 | 97% | 0.974 | 82% | 0.822 | S | S | * | * | trans | -164.8 | 160.7 | 141.9 | -116.5 | 168.6 | -179.8 | -178.6 | -0.3 | 113.4 | ||||
| 46 | S | 38.1 | Very low | 41.8 | Very low | 116 Ų | 116 | 168.3 Ų | 168.3 | 81% | 0.811 | 82% | 0.817 | S | S | * | * | trans | -129.6 | 159 | -169.4 | 52.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 47 | R | 38.3 | Very low | 41.5 | Very low | 254 Ų | 254 | 167.6 Ų | 167.6 | 96% | 0.958 | 81% | 0.814 | S | S | * | * | trans | -152.1 | 161.2 | 164.6 | -122.5 | 173.3 | 179.8 | 167.3 | -0.5 | 110.3 | ||||
| 48 | S | 42.6 | Very low | 41.5 | Very low | 101 Ų | 101 | 168.2 Ų | 168.2 | 71% | 0.706 | 82% | 0.818 | S | S | * | * | trans | -151.5 | 167.9 | -164.9 | 60 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 49 | K | 43.4 | Very low | 41.2 | Very low | 197 Ų | 197 | 167.8 Ų | 167.8 | 86% | 0.857 | 82% | 0.816 | S | S | * | * | trans | 69.2 | 155.4 | 172.4 | -70 | 178.5 | 176.5 | 177.3 | 0 | 117.5 | ||||
| 50 | S | 43.2 | Very low | 41.3 | Very low | 83 Ų | 83 | 168.1 Ų | 168.1 | 58% | 0.58 | 82% | 0.819 | S | S | * | * | cis | -178.7 | 138.7 | -34.7 | 54 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 51 | R | 40.5 | Very low | 41 | Very low | 240 Ų | 240 | 170 Ų | 170 | 91% | 0.906 | 82% | 0.82 | S | S | * | * | trans | 64.7 | 165.2 | 157.9 | -59.5 | 162.1 | -176.1 | -178.7 | -0.5 | 114.9 | ||||
| 52 | S | 43.9 | Very low | 41 | Very low | 109 Ų | 109 | 171.4 Ų | 171.4 | 76% | 0.762 | 82% | 0.818 | S | S | * | * | cis | -163.1 | 135.1 | -14.1 | 32.7 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 53 | R | 35.2 | Very low | 40.8 | Very low | 254 Ų | 254 | 170.8 Ų | 170.8 | 96% | 0.958 | 82% | 0.822 | S | S | * | * | 81 | 86.8 | 68.8 | -158.8 | -169.8 | -164.1 | -170.7 | 6.2 | 117 | |||||
| 54 | S | 46.1 | Very low | 40.7 | Very low | 110 Ų | 110 | 169.1 Ų | 169.1 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | trans | -165.9 | 144 | 154.4 | 49.9 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 55 | E | 35.8 | Very low | 40.7 | Very low | 181 Ų | 181 | 170.3 Ų | 170.3 | 85% | 0.846 | 82% | 0.815 | S | S | * | * | 64.5 | 133.1 | 59 | -86.5 | -167.7 | 100.4 | 0 | 0 | 115.2 | |||||
| 56 | S | 41 | Very low | 40.9 | Very low | 93 Ų | 93 | 168.1 Ų | 168.1 | 65% | 0.65 | 81% | 0.806 | S | S | * | * | cis | -158.2 | 168.9 | 2.9 | 72.3 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 57 | R | 35.9 | Very low | 41 | Very low | 230 Ų | 230 | 170 Ų | 170 | 87% | 0.868 | 80% | 0.802 | S | S | * | * | trans | 20.9 | 134.8 | 152.5 | -60.7 | 171.4 | -178.5 | 175 | 2.1 | 122.5 | ||||
| 58 | S | 43.8 | Very low | 41.1 | Very low | 128 Ų | 128 | 167.9 Ų | 167.9 | 90% | 0.895 | 80% | 0.795 | S | S | * | * | -171.4 | 172.9 | 123 | -88.9 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 59 | R | 38.8 | Very low | 41.2 | Very low | 245 Ų | 245 | 168.2 Ų | 168.2 | 93% | 0.925 | 79% | 0.794 | S | S | * | * | trans | -135 | 142.4 | -166.2 | -63.1 | 169.1 | 167.4 | 164.2 | -6.8 | 114.5 | ||||
| 60 | S | 46.6 | Very low | 40.9 | Very low | 120 Ų | 120 | 171 Ų | 171 | 84% | 0.839 | 80% | 0.798 | S | S | * | * | trans | 165.7 | 178.4 | 144.2 | 51.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 61 | R | 40.2 | Very low | 41 | Very low | 232 Ų | 232 | 171.8 Ų | 171.8 | 88% | 0.875 | 80% | 0.804 | S | S | * | * | -156.9 | 148.9 | -58.7 | -100.4 | 177.4 | 174.3 | 179.1 | -1.3 | 110.1 | |||||
| 62 | R | 43.5 | Very low | 41 | Very low | 218 Ų | 218 | 171.6 Ų | 171.6 | 82% | 0.823 | 80% | 0.804 | S | S | * | * | trans | 59.2 | -177.4 | 157.5 | -76.8 | -172.6 | 166.2 | -170.5 | -3.2 | 118.9 | R241 | R62-R241 VanDerWaalsContact C-NH1 3.34Å; R62-R241 VanDerWaalsContact O-CZ 3.28Å; R62-R241 PolarHBondContact O-NH1 2.82Å; R62-R241 PolarHBondContact O-NH2 2.87Å | ||
| 63 | S | 37.9 | Very low | 41.1 | Very low | 91 Ų | 91 | 171.2 Ų | 171.2 | 64% | 0.636 | 80% | 0.801 | S | S | * | * | -164.6 | 126.5 | -58 | 175.8 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 64 | S | 42.4 | Very low | 41.5 | Very low | 85 Ų | 85 | 170.2 Ų | 170.2 | 59% | 0.594 | 80% | 0.797 | S | S | * | * | trans | -164.2 | 159.8 | 172.5 | 67 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 65 | R | 40.1 | Very low | 41.2 | Very low | 232 Ų | 232 | 170.5 Ų | 170.5 | 88% | 0.875 | 80% | 0.799 | S | S | * | * | cis | 76.5 | 145.3 | 8.2 | -57.1 | -177.4 | 177 | -177.9 | -2.1 | 115.2 | ||||
| 66 | R | 42.1 | Very low | 41.5 | Very low | 212 Ų | 212 | 174 Ų | 174 | 80% | 0.8 | 81% | 0.805 | S | S | * | * | cis | -160 | 170.2 | -3.4 | -129.8 | -175.2 | 162.3 | 173.9 | -12.3 | 106.3 | ||||
| 67 | H | 39.8 | Very low | 41.3 | Very low | 155 Ų | 155 | 174.9 Ų | 174.9 | 72% | 0.718 | 81% | 0.811 | S | S | * | * | cis | -159.7 | -150.2 | -3.3 | -147.3 | -9.5 | 0 | 0 | 0 | 110.5 | ||||
| 68 | Y | 41.2 | Very low | 41.4 | Very low | 209 Ų | 209 | 173.1 Ų | 173.1 | 82% | 0.82 | 81% | 0.812 | S | S | * | * | trans | 72.8 | 160 | 163.9 | 111 | -94.9 | 0 | 0 | 0 | 120.3 | ||||
| 69 | T | 43.1 | Very low | 41.4 | Very low | 109 Ų | 109 | 177.8 Ų | 177.8 | 67% | 0.669 | 81% | 0.81 | S | S | * | * | -176.7 | 133.4 | -76.7 | 34.9 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 70 | R | 38.4 | Very low | 41.5 | Very low | 254 Ų | 254 | 177.8 Ų | 177.8 | 96% | 0.958 | 81% | 0.81 | S | S | * | * | trans | -157 | 161.9 | 151.2 | -138.5 | 166.9 | -176.9 | 159.5 | 0.9 | 111.2 | ||||
| 71 | S | 44.1 | Very low | 41.1 | Very low | 101 Ų | 101 | 177.5 Ų | 177.5 | 71% | 0.706 | 81% | 0.808 | S | S | * | * | trans | -147.1 | 171.9 | -150.1 | -40.8 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 72 | R | 42 | Very low | 41.1 | Very low | 236 Ų | 236 | 178.3 Ų | 178.3 | 89% | 0.891 | 81% | 0.811 | S | S | * | * | trans | 92.6 | 145.8 | 168.4 | -56.7 | 169.7 | 176.1 | 173.7 | -2.4 | 115.8 | ||||
| 73 | S | 45.4 | Very low | 40.9 | Very low | 100 Ų | 100 | 172.6 Ų | 172.6 | 70% | 0.699 | 80% | 0.804 | S | S | * | * | cis | -173.4 | 167.2 | -19.4 | -98.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 74 | R | 42.5 | Very low | 41 | Very low | 234 Ų | 234 | 179.9 Ų | 179.9 | 88% | 0.883 | 82% | 0.818 | S | S | * | * | trans | 75.1 | 80.3 | 156.8 | -71.6 | 167 | -175.5 | 175 | 0.2 | 119.9 | ||||
| 75 | S | 39.7 | Very low | 40.7 | Very low | 115 Ų | 115 | 180.6 Ų | 180.6 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | 17.2 | 131 | 119.8 | -35.3 | 0 | 0 | 0 | 0 | 121 | |||||
| 76 | R | 42.4 | Very low | 40.5 | Very low | 256 Ų | 256 | 178.4 Ų | 178.4 | 97% | 0.966 | 82% | 0.815 | S | S | * | * | -164.2 | 159.3 | 121.6 | -106.2 | 165.4 | -174.5 | -176.4 | 0.9 | 110.7 | |||||
| 77 | S | 36.5 | Very low | 40.4 | Very low | 111 Ų | 111 | 171.6 Ų | 171.6 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | trans | -116.9 | 152 | -166.4 | 52.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 78 | H | 39.6 | Very low | 40.7 | Very low | 192 Ų | 192 | 174.6 Ų | 174.6 | 89% | 0.889 | 81% | 0.806 | S | S | * | * | trans | -145.3 | 140 | 157.1 | -129.2 | 68.2 | 0 | 0 | 0 | 112.2 | ||||
| 79 | R | 43.4 | Very low | 40.8 | Very low | 227 Ų | 227 | 170 Ų | 170 | 86% | 0.857 | 80% | 0.795 | S | S | * | * | trans | -89.1 | 140.3 | 179.2 | -58.2 | 177.2 | -178.6 | -176.1 | 0.3 | 109.5 | ||||
| 80 | R | 41.3 | Very low | 40.9 | Very low | 244 Ų | 244 | 175.7 Ų | 175.7 | 92% | 0.921 | 81% | 0.806 | S | S | * | * | trans | -153.3 | 83 | 153.2 | -115.3 | 174.9 | -167.3 | -161.2 | 3.2 | 111.8 | R82 | R80-R82 PolarHBondContact O-N 2.9Š| ||
| 81 | S | 38.4 | Very low | 41.3 | Very low | 114 Ų | 114 | 173.4 Ų | 173.4 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | trans | -68.1 | 117.9 | 166.3 | -28.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 82 | R | 38.8 | Very low | 41.4 | Very low | 250 Ų | 250 | 179 Ų | 179 | 94% | 0.943 | 80% | 0.803 | S | S | * | * | trans | -140.2 | 126.6 | 158.2 | -110.1 | 177.4 | -176.5 | 173.5 | 0.9 | 110.5 | R80 | R80-R82 PolarHBondContact O-N 2.9Š| ||
| 83 | S | 38.9 | Very low | 41.5 | Very low | 97 Ų | 97 | 179.3 Ų | 179.3 | 68% | 0.678 | 80% | 0.804 | S | S | * | * | trans | -87.9 | 155 | -167.1 | -37.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 84 | R | 40.3 | Very low | 41.6 | Very low | 245 Ų | 245 | 183.9 Ų | 183.9 | 93% | 0.925 | 81% | 0.814 | S | S | * | * | trans | 64.4 | 123.3 | 161.6 | -53.4 | 160.1 | -177.5 | 172.2 | -1.2 | 113.2 | ||||
| 85 | S | 35.9 | Very low | 41.6 | Very low | 99 Ų | 99 | 176.2 Ų | 176.2 | 69% | 0.692 | 80% | 0.796 | S | S | * | * | cis | -148.3 | 147.4 | 36.8 | 47.8 | 0 | 0 | 0 | 0 | 113.7 | S87 | S85-S87 PolarHBondContact O-N 3.38Å; S85-S87 VanDerWaalsContact O-N 3.13Å; S85-S87 PolarHBondContact OG-OG 3.17Å | ||
| 86 | Y | 35.9 | Very low | 41.8 | Very low | 186 Ų | 186 | 178 Ų | 178 | 73% | 0.729 | 79% | 0.791 | S | S | * | * | trans | -79.6 | 85.5 | 162.4 | -176.8 | -93.7 | 0 | 0 | 0 | 108.7 | R88 R91 | Y86-R88 PolarHBondContact O-N 2.81Å; Y86-R91 PolarHBondContact OH-NH2 3.29Å | ||
| 87 | S | 40.7 | Very low | 42.1 | Very low | 70 Ų | 70 | 171 Ų | 171 | 49% | 0.49 | 78% | 0.782 | S | S | . | * | trans | -63.4 | 125.2 | -178.8 | -57.3 | 0 | 0 | 0 | 0 | 110.7 | S85 D89 | S85-S87 PolarHBondContact O-N 3.38Å; S85-S87 VanDerWaalsContact O-N 3.13Å; S85-S87 PolarHBondContact OG-OG 3.17Å; S87-D89 WeakPolarHBondContact CB-OD2 3.44Å; S87-D89 PolarHBondContact O-N 3.48Å | ||
| 88 | R | 46.4 | Very low | 42.5 | Very low | 218 Ų | 218 | 173.6 Ų | 173.6 | 82% | 0.823 | 78% | 0.782 | S | S | * | * | trans | -78.1 | 2.1 | -170.4 | -82.1 | 178.3 | 161.5 | 177.3 | -4.8 | 113.9 | Y86 | Y86-R88 PolarHBondContact O-N 2.81Š| ||
| 89 | D | 43.6 | Very low | 42.8 | Very low | 111 Ų | 111 | 168.1 Ų | 168.1 | 59% | 0.594 | 77% | 0.765 | S | S | * | * | G | 310 helix | trans | -83 | -24.4 | -152.4 | -58.8 | -83.2 | 0 | 0 | 0 | 114.9 | S87 R91 R92 | S87-D89 WeakPolarHBondContact CB-OD2 3.44Å; S87-D89 PolarHBondContact O-N 3.48Å; D89-R91 PolarHBondContact O-N 3.07Å; D89-R91 VanDerWaalsContact O-N 3.1Å; D89-R92 PolarHBondContact O-N 3.38Å |
| 90 | Y | 44.4 | Very low | 43.4 | Very low | 229 Ų | 229 | 163.3 Ų | 163.3 | 90% | 0.898 | 76% | 0.763 | S | S | * | * | G | 310 helix | trans | -68.8 | -7.1 | 179.3 | -76.2 | -85.2 | 0 | 0 | 0 | 114.7 | ||
| 91 | R | 47.4 | Very low | 43.7 | Very low | 207 Ų | 207 | 155.2 Ų | 155.2 | 78% | 0.781 | 74% | 0.737 | S | S | * | * | G | 310 helix | trans | -111.3 | 18.3 | 177.3 | -82.6 | -169 | -83.7 | -172.5 | -6.1 | 115.5 | Y86 D89 | Y86-R91 PolarHBondContact OH-NH2 3.29Å; D89-R91 PolarHBondContact O-N 3.07Å; D89-R91 VanDerWaalsContact O-N 3.1Å |
| 92 | R | 47 | Very low | 44.2 | Very low | 218 Ų | 218 | 154.2 Ų | 154.2 | 82% | 0.823 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -122.1 | -2.4 | 171.8 | -82.9 | -167.2 | 175 | -160.4 | -0 | 117.2 | D89 H94 | D89-R92 PolarHBondContact O-N 3.38Å; R92-H94 VanDerWaalsContact C-N 3.31Å; R92-H94 PolarHBondContact O-N 3.19Å |
| 93 | R | 43 | Very low | 44.4 | Very low | 242 Ų | 242 | 147.9 Ų | 147.9 | 91% | 0.913 | 72% | 0.719 | S | S | * | * | trans | -80.9 | 2.5 | 177.6 | -71.7 | -167.8 | 175.3 | -138 | -0.7 | 115.9 | S95 | R93-S95 PolarHBondContact O-N 3.37Š| ||
| 94 | H | 47.3 | Very low | 44.9 | Very low | 196 Ų | 196 | 151.7 Ų | 151.7 | 91% | 0.907 | 72% | 0.718 | S | S | * | * | trans | -93.7 | 66.3 | 170.2 | -164.3 | 86.1 | 0 | 0 | 0 | 111.6 | R92 | R92-H94 VanDerWaalsContact C-N 3.31Å; R92-H94 PolarHBondContact O-N 3.19Å | ||
| 95 | S | 42.6 | Very low | 45.2 | Very low | 74 Ų | 74 | 150 Ų | 150 | 52% | 0.517 | 71% | 0.712 | S | S | . | * | trans | -152.2 | 148.8 | 170.4 | 56.7 | 0 | 0 | 0 | 0 | 110.3 | R93 | R93-S95 PolarHBondContact O-N 3.37Š| ||
| 96 | H | 44.7 | Very low | 45.9 | Very low | 151 Ų | 151 | 156.3 Ų | 156.3 | 70% | 0.699 | 72% | 0.721 | S | S | * | * | trans | 68.2 | 78.7 | -176.1 | -45.4 | 96.6 | 0 | 0 | 0 | 114.3 | H98 | H96-H98 PolarHBondContact O-N 3.43Å; H96-H98 PolarHBondContact O-ND1 3.2Å | ||
| 97 | S | 47.3 | Very low | 46.5 | Very low | 110 Ų | 110 | 152.6 Ų | 152.6 | 77% | 0.769 | 71% | 0.71 | S | S | * | * | trans | -54.7 | 99.1 | 164.1 | 52.2 | 0 | 0 | 0 | 0 | 110.8 | S99 | S97-S99 PolarHBondContact O-N 3.1Š| ||
| 98 | H | 45.9 | Very low | 46.9 | Very low | 166 Ų | 166 | 156.3 Ų | 156.3 | 77% | 0.769 | 73% | 0.729 | S | S | * | * | trans | -72.1 | 77.6 | 177.2 | -83.4 | 63 | 0 | 0 | 0 | 110.7 | H96 | H96-H98 PolarHBondContact O-N 3.43Å; H96-H98 PolarHBondContact O-ND1 3.2Å | ||
| 99 | S | 46.4 | Very low | 47.3 | Very low | 76 Ų | 76 | 148.4 Ų | 148.4 | 53% | 0.531 | 72% | 0.715 | S | S | . | * | trans | -62.1 | 127.3 | 161 | -66.3 | 0 | 0 | 0 | 0 | 107.6 | S97 M101 S102 | S97-S99 PolarHBondContact O-N 3.1Å; S99-M101 PolarHBondContact O-N 3.13Å; S99-S102 WeakPolarHBondContact O-CB 3.32Å; S99-S102 PolarHBondContact O-N 3.27Å | ||
| 100 | P | 54.5 | Low | 47.9 | Very low | 127 Ų | 127 | 149.3 Ų | 149.3 | 83% | 0.825 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | 5.4 | -171.3 | 26 | -35.1 | 0 | 0 | 0 | 115 | ||
| 101 | M | 48.4 | Very low | 48.5 | Very low | 74 Ų | 74 | 147.8 Ų | 147.8 | 37% | 0.365 | 71% | 0.712 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -107.2 | -1.8 | 169.8 | -69.1 | -160.4 | 137.4 | 0 | 0 | 114.4 | S99 T103 R104 M208 | S99-M101 PolarHBondContact O-N 3.13Å; M101-T103 PolarHBondContact O-N 3.36Å; M101-T103 VanDerWaalsContact O-N 3.13Å; M101-R104 WeakPolarHBondContact O-CB 3.47Å; M101-R104 PolarHBondContact O-N 3.38Å; M101-R104 PolarHBondContact SD-NH2 3.34Å; M101-M208 HydrophobicContact CE-CB 3.83Å; M101-M208 HydrophobicContact CE-SD 4.42Å |
| 102 | S | 48.4 | Very low | 49 | Very low | 93 Ų | 93 | 141 Ų | 141 | 65% | 0.65 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | -13.3 | 178.3 | -164.2 | 0 | 0 | 0 | 0 | 113 | S99 | S99-S102 WeakPolarHBondContact O-CB 3.32Å; S99-S102 PolarHBondContact O-N 3.27Å |
| 103 | T | 44.1 | Very low | 49.8 | Very low | 117 Ų | 117 | 135.6 Ų | 135.6 | 72% | 0.718 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.3 | -5.3 | 172.3 | 43.9 | 0 | 0 | 0 | 0 | 114 | M101 R105 | M101-T103 PolarHBondContact O-N 3.36Å; M101-T103 VanDerWaalsContact O-N 3.13Å; T103-R105 PolarHBondContact O-N 2.77Å |
| 104 | R | 48 | Very low | 51.2 | Low | 177 Ų | 177 | 125.4 Ų | 125.4 | 67% | 0.668 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -66.5 | 83.5 | 147.5 | -80.5 | -161.1 | -70.9 | -179.3 | -6.7 | 106.4 | M101 R106 | M101-R104 WeakPolarHBondContact O-CB 3.47Å; M101-R104 PolarHBondContact O-N 3.38Å; M101-R104 PolarHBondContact SD-NH2 3.34Å; R104-R106 PolarHBondContact O-N 3.38Å |
| 105 | R | 48 | Very low | 52.5 | Low | 209 Ų | 209 | 121 Ų | 121 | 79% | 0.789 | 64% | 0.636 | S | S | * | * | trans | -46.4 | 117.3 | -179.3 | -66.3 | -177.7 | 178.7 | -171.1 | -0.3 | 107.5 | T103 H107 | T103-R105 PolarHBondContact O-N 2.77Å; R105-H107 PolarHBondContact O-N 2.92Å | ||
| 106 | R | 48.8 | Very low | 54.3 | Low | 232 Ų | 232 | 121 Ų | 121 | 88% | 0.875 | 64% | 0.635 | S | S | * | * | trans | -53.3 | 115 | 159.3 | -63.1 | 178.7 | -177.6 | -179.4 | 0 | 104.3 | R104 V108 | R104-R106 PolarHBondContact O-N 3.38Å; R106-V108 WeakPolarHBondContact O-CG2 3.22Å; R106-V108 PolarHBondContact O-N 3.22Å | ||
| 107 | H | 49.8 | Very low | 56.2 | Low | 108 Ų | 108 | 114.4 Ų | 114.4 | 50% | 0.5 | 61% | 0.605 | S | S | . | * | trans | -51.9 | 116.5 | -170.8 | -95.7 | -117.7 | 0 | 0 | 0 | 109.2 | R105 G109 I195 | R105-H107 PolarHBondContact O-N 2.92Å; H107-G109 PolarHBondContact O-N 2.81Å; H107-I195 HydrophobicContact CB-CG2 3.99Å; H107-I195 VanDerWaalsContact CE1-CG2 3.5Å; H107-I195 WeakPolarHBondContact CE1-CG2 3.29Å; H107-I195 PolarHBondContact CE1-O 2.9Å; H107-I195 VanDerWaalsContact CG-CG2 3.42Å; H107-I195 WeakPolarHBondContact ND1-CG2 3.4Å | ||
| 108 | V | 48.1 | Very low | 58.1 | Low | 148 Ų | 148 | 111 Ų | 111 | 90% | 0.897 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -83.6 | 79.6 | 179.2 | -174.8 | 0 | 0 | 0 | 0 | 105.8 | R106 | R106-V108 WeakPolarHBondContact O-CG2 3.22Å; R106-V108 PolarHBondContact O-N 3.22Å |
| 109 | G | 55.2 | Low | 60.1 | Low | 51 Ų | 51 | 103.4 Ų | 103.4 | 53% | 0.526 | 55% | 0.546 | S | S | . | . | S | Bend | trans | -177.9 | 162.5 | -171.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | H107 R111 | H107-G109 PolarHBondContact O-N 2.81Å; G109-R111 PolarHBondContact O-N 3.11Å |
| 110 | N | 56 | Low | 62.2 | Low | 131 Ų | 131 | 99.8 Ų | 99.8 | 70% | 0.701 | 52% | 0.521 | S | S | * | . | trans | -70.3 | 100.1 | -172.5 | -74 | -26.3 | 0 | 0 | 0 | 111 | A112 N113 | N110-A112 PolarHBondContact O-N 3.48Å; N110-N113 CarbonylContact O-C 3.57Å; N110-N113 PolarHBondContact O-N 2.88Å; N110-N113 VanDerWaalsContact O-O 3.13Å | ||
| 111 | R | 57.3 | Low | 64 | Low | 196 Ų | 196 | 93.8 Ų | 93.8 | 74% | 0.74 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -14.7 | 174.8 | -69.8 | 178.7 | 59.3 | 86.4 | 3.9 | 114.4 | G109 I195 | G109-R111 PolarHBondContact O-N 3.11Å; R111-I195 HydrophobicContact CG-CD1 4.36Å |
| 112 | A | 58.4 | Low | 66 | Low | 66 Ų | 66 | 90.2 Ų | 90.2 | 55% | 0.545 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | -18 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | N110 | N110-A112 PolarHBondContact O-N 3.48Š|
| 113 | N | 63.6 | Low | 68.1 | Low | 104 Ų | 104 | 89.5 Ų | 89.5 | 56% | 0.556 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -155.1 | 85.7 | 178.7 | -79.7 | -56.2 | 0 | 0 | 0 | 108.9 | N110 | N110-N113 CarbonylContact O-C 3.57Å; N110-N113 PolarHBondContact O-N 2.88Å; N110-N113 VanDerWaalsContact O-O 3.13Å |
| 114 | P | 71.4 | Confident | 70.2 | Confident | 27 Ų | 27 | 85.8 Ų | 85.8 | 18% | 0.175 | 44% | 0.435 | C | S | . | . | P | Polyproline II helix | trans | -75.9 | 165.1 | 167 | 31.5 | -29.5 | 0 | 0 | 0 | 110.7 | F193 I195 | P114-F193 HydrophobicContact CG-CB 3.91Å; P114-F193 WeakPolarHBondContact CG-O 3.44Å; P114-I195 HydrophobicContact CB-CG1 4.18Å; P114-I195 HydrophobicContact CG-CG1 4.08Å |
| 115 | D | 75.9 | Confident | 72.2 | Confident | 103 Ų | 103 | 77.5 Ų | 77.5 | 55% | 0.551 | 40% | 0.404 | S | S | * | . | P | Polyproline II helix | trans | -54.9 | 144.2 | 179.4 | -36 | -42.6 | 0 | 0 | 0 | 111.6 | N117 K197 | D115-N117 PolarHBondContact O-N 2.91Å; D115-K197 IonicContact OD2-NZ 3.64Å; D115-K197 PolarHBondContact OD2-NZ 2.83Å |
| 116 | P | 80.5 | Confident | 74.2 | Confident | 76 Ų | 76 | 67.8 Ų | 67.8 | 49% | 0.494 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 138.3 | 174.7 | 26.2 | -34.7 | 0 | 0 | 0 | 111.3 | V169 F193 | P116-V169 HydrophobicContact CB-CG1 4.06Å; P116-F193 HydrophobicContact CB-CD2 4.41Å; P116-F193 HydrophobicContact CB-CE1 4.13Å; P116-F193 HydrophobicContact CB-CE2 3.89Å; P116-F193 HydrophobicContact CB-CZ 3.74Å |
| 117 | N | 83.7 | Confident | 76 | Confident | 11 Ų | 11 | 60.2 Ų | 60.2 | 6% | 0.059 | 35% | 0.345 | C | S | . | . | trans | -156.6 | 160.1 | -179.2 | 58.8 | -6.3 | 0 | 0 | 0 | 110.7 | D115 C119 F193 S194 K197 | D115-N117 PolarHBondContact O-N 2.91Å; N117-C119 PolarHBondContact O-N 3.04Å; N117-C119 PolarHBondContact OD1-O 3.3Å; N117-C119 VanDerWaalsContact OD1-O 3.12Å; N117-F193 WeakPolarHBondContact OD1-CB 3.46Å; N117-S194 PolarHBondContact ND2-O 3.36Å; N117-K197 HydrophobicContact CB-CG 4.39Å | ||
| 118 | C | 86.8 | Confident | 77.8 | Confident | 40 Ų | 40 | 64.1 Ų | 64.1 | 27% | 0.27 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -68.1 | 4.6 | 178.1 | -20.6 | 0 | 0 | 0 | 0 | 114.1 | Y165 F166 E167 N168 V169 | C118-Y165 CarbonylContact O-C 3.53Å; C118-Y165 WeakPolarHBondContact O-CA 3.24Å; C118-F166 HydrophobicContact CB-CB 4.23Å; C118-F166 WeakPolarHBondContact CB-O 3.47Å; C118-F166 PolarHBondContact O-N 3.47Å; C118-E167 PolarHBondContact SG-O 2.98Å; C118-N168 WeakPolarHBondContact CB-O 3.47Å; C118-V169 VanDerWaalsContact SG-CG2 3.53Å |
| 119 | C | 88.7 | Confident | 79.6 | Confident | 5 Ų | 5 | 57.3 Ų | 57.3 | 3% | 0.034 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 109 | -177.7 | -178.1 | 0 | 0 | 0 | 0 | 110.6 | N117 V164 Y165 S194 | N117-C119 PolarHBondContact O-N 3.04Å; N117-C119 PolarHBondContact OD1-O 3.3Å; N117-C119 VanDerWaalsContact OD1-O 3.12Å; C119-V164 CarbonylContact C-O 3.57Å; C119-V164 WeakPolarHBondContact CA-O 3.24Å; C119-Y165 HydrophobicContact CB-CD1 3.89Å; C119-Y165 HydrophobicContact CB-CE1 4.03Å; C119-Y165 WeakPolarHBondContact SG-CE1 3.46Å; C119-S194 VanDerWaalsContact O-CB 3.24Å; C119-S194 WeakPolarHBondContact O-CB 3.3Å; C119-S194 PolarHBondContact O-N 3.09Å; C119-S194 WeakPolarHBondContact SG-CB 3.11Å |
| 120 | L | 91.2 | Very high | 81.3 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 131.5 | 176 | -57.7 | -172.9 | 0 | 0 | 0 | 110.9 | F163 V164 F166 A172 A175 K176 V191 D192 F193 | L120-F163 WeakPolarHBondContact O-CA 3.22Å; L120-V164 PolarHBondContact N-O 3.13Å; L120-V164 PolarHBondContact O-N 2.85Å; L120-F166 HydrophobicContact CD1-CD2 4.32Å; L120-F166 HydrophobicContact CD1-CE2 3.71Å; L120-F166 HydrophobicContact CG-CD2 4.37Å; L120-F166 HydrophobicContact CG-CE2 4.18Å; L120-A172 HydrophobicContact CD1-CB 4.41Å; L120-A172 WeakPolarHBondContact CD1-O 3.37Å; L120-A172 HydrophobicContact CD2-CB 4.11Å; L120-A172 HydrophobicContact CG-CB 4.16Å; L120-A175 HydrophobicContact CD1-CB 3.82Å; L120-K176 HydrophobicContact CD1-CB 4.42Å; L120-K176 HydrophobicContact CD2-CB 4.28Å; L120-V191 HydrophobicContact CB-CG1 4Å; L120-V191 HydrophobicContact CD1-CG1 3.71Å; L120-V191 HydrophobicContact CG-CG1 4.3Å; L120-D192 CarbonylContact C-O 3.06Å; L120-D192 WeakPolarHBondContact CA-O 3.4Å; L120-F193 HydrophobicContact CD2-CD1 3.52Å; L120-F193 HydrophobicContact CD2-CE1 3.82Å; L120-F193 HydrophobicContact CD2-CG 4.47Å |
| 121 | G | 91.3 | Very high | 83 | Confident | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 118.6 | 164.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | F123 D192 | G121-F123 WeakPolarHBondContact O-CD2 3.4Å; G121-F123 WeakPolarHBondContact O-CE2 3.42Å; G121-D192 PolarHBondContact N-O 2.88Å; G121-D192 PolarHBondContact O-N 2.84Å |
| 122 | V | 91.7 | Very high | 84.6 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 123.7 | 177.6 | -171.3 | 0 | 0 | 0 | 0 | 108.5 | L125 F138 F161 A162 V164 I189 V191 | V122-L125 HydrophobicContact CG1-CD2 3.67Å; V122-L125 HydrophobicContact CG1-CG 4.2Å; V122-F138 HydrophobicContact CG1-CE2 4.32Å; V122-F138 HydrophobicContact CG1-CZ 4.26Å; V122-F138 HydrophobicContact CG2-CE2 3.78Å; V122-F138 HydrophobicContact CG2-CZ 3.61Å; V122-F161 CarbonylContact O-C 3.6Å; V122-F161 WeakPolarHBondContact O-CA 3.36Å; V122-F161 VanDerWaalsContact O-CB 3.27Å; V122-F161 WeakPolarHBondContact O-CB 3.44Å; V122-A162 PolarHBondContact N-O 3.04Å; V122-A162 PolarHBondContact O-N 2.86Å; V122-V164 HydrophobicContact CG2-CG2 4.02Å; V122-I189 HydrophobicContact CG1-CB 4.27Å; V122-I189 HydrophobicContact CG1-CD1 4.14Å; V122-V191 HydrophobicContact CG1-CG2 4.33Å; V122-V191 HydrophobicContact CG2-CG2 4.46Å |
| 123 | F | 90.8 | Very high | 86.2 | Confident | 77 Ų | 77 | 53.4 Ų | 53.4 | 34% | 0.338 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 151.3 | -174.3 | -55.8 | -85.4 | 0 | 0 | 0 | 111.1 | G121 F161 I189 R190 D192 | G121-F123 WeakPolarHBondContact O-CD2 3.4Å; G121-F123 WeakPolarHBondContact O-CE2 3.42Å; F123-F161 HydrophobicContact CD1-CB 3.66Å; F123-F161 HydrophobicContact CD1-CG 4.28Å; F123-F161 HydrophobicContact CE1-CB 4.16Å; F123-F161 HydrophobicContact CE1-CD2 4.45Å; F123-F161 HydrophobicContact CE1-CG 4.4Å; F123-F161 HydrophobicContact CG-CB 4.42Å; F123-I189 CarbonylContact O-C 3.58Å; F123-I189 WeakPolarHBondContact O-CA 3.4Å; F123-R190 HydrophobicContact CB-CB 4.41Å; F123-R190 PolarHBondContact N-O 2.81Å; F123-R190 PolarHBondContact O-N 2.63Å; F123-D192 HydrophobicContact CE2-CB 4.36Å |
| 124 | G | 89.3 | Confident | 87.6 | Confident | 39 Ų | 39 | 48.5 Ų | 48.5 | 40% | 0.402 | 25% | 0.247 | S | C | . | . | S | Bend | trans | 90 | 11.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | G160 R187 | G124-G160 PolarHBondContact N-O 2.89Å; G124-R187 WeakPolarHBondContact O-CB 3.26Å |
| 125 | L | 90.8 | Very high | 88.6 | Confident | 3 Ų | 3 | 52 Ų | 52 | 2% | 0.016 | 26% | 0.257 | C | S | . | . | trans | -59.6 | 162.3 | -179.5 | -61 | -179.9 | 0 | 0 | 0 | 112.9 | V122 T129 L134 G160 A162 L184 R187 I189 | V122-L125 HydrophobicContact CG1-CD2 3.67Å; V122-L125 HydrophobicContact CG1-CG 4.2Å; L125-T129 HydrophobicContact CD2-CG2 4.49Å; L125-L134 HydrophobicContact CD1-CD1 3.98Å; L125-L134 HydrophobicContact CD1-CD2 4.07Å; L125-L134 HydrophobicContact CD2-CD2 3.77Å; L125-G160 PolarHBondContact N-O 3.47Å; L125-A162 HydrophobicContact CD1-CB 3.58Å; L125-L184 HydrophobicContact CD2-CD2 3.88Å; L125-R187 PolarHBondContact O-NH1 3.46Å; L125-I189 HydrophobicContact CD2-CG2 3.81Å | ||
| 126 | S | 89.9 | Confident | 89.4 | Confident | 5 Ų | 5 | 52.7 Ų | 52.7 | 4% | 0.035 | 26% | 0.257 | C | S | . | . | trans | -75 | 166.1 | 171.6 | -163.6 | 0 | 0 | 0 | 0 | 112 | T129 S158 D185 | S126-T129 WeakPolarHBondContact CA-OG1 3.45Å; S126-T129 VanDerWaalsContact CB-OG1 3.25Å; S126-T129 WeakPolarHBondContact CB-OG1 3.36Å; S126-T129 PolarHBondContact N-OG1 3.01Å; S126-S158 PolarHBondContact O-OG 2.95Å; S126-S158 VanDerWaalsContact O-OG 3.12Å; S126-D185 WeakPolarHBondContact CB-OD2 3.44Å | ||
| 127 | L | 86.3 | Confident | 89.9 | Confident | 74 Ų | 74 | 50.5 Ų | 50.5 | 39% | 0.387 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -76.3 | -12.3 | 171.6 | -64.3 | 176.8 | 0 | 0 | 0 | 112 | S158 | L127-S158 WeakPolarHBondContact CD2-O 3.46Š|
| 128 | Y | 86.1 | Confident | 90.2 | Very high | 190 Ų | 190 | 50 Ų | 50 | 75% | 0.745 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -104 | -19.8 | -178.2 | -54.5 | -74.3 | 0 | 0 | 0 | 113.2 | T130 | Y128-T130 PolarHBondContact O-N 2.96Š|
| 129 | T | 87.5 | Confident | 90.4 | Very high | 4 Ų | 4 | 51.2 Ų | 51.2 | 3% | 0.025 | 25% | 0.249 | C | C | . | . | trans | -57.7 | 128.1 | 177.7 | -40.6 | 0 | 0 | 0 | 0 | 110.9 | L125 S126 D133 L134 I149 L184 D185 | L125-T129 HydrophobicContact CD2-CG2 4.49Å; S126-T129 WeakPolarHBondContact CA-OG1 3.45Å; S126-T129 VanDerWaalsContact CB-OG1 3.25Å; S126-T129 WeakPolarHBondContact CB-OG1 3.36Å; S126-T129 PolarHBondContact N-OG1 3.01Å; T129-D133 HydrophobicContact CG2-CB 4.28Å; T129-L134 HydrophobicContact CG2-CD2 3.99Å; T129-L134 HydrophobicContact CG2-CG 4.03Å; T129-I149 WeakPolarHBondContact O-CD1 3.37Å; T129-L184 HydrophobicContact CG2-CD2 3.55Å; T129-L184 HydrophobicContact CG2-CG 4.45Å; T129-D185 WeakPolarHBondContact CA-OD2 3.46Å; T129-D185 WeakPolarHBondContact CB-OD2 3.29Å; T129-D185 PolarHBondContact N-OD2 3.47Å; T129-D185 PolarHBondContact OG1-OD2 2.87Å | ||
| 130 | T | 90 | Very high | 90.6 | Very high | 57 Ų | 57 | 56.7 Ų | 56.7 | 35% | 0.35 | 27% | 0.272 | S | S | . | . | trans | -105.3 | 169.6 | 179.1 | 76.3 | 0 | 0 | 0 | 0 | 112.1 | Y128 R132 D133 L134 I149 | Y128-T130 PolarHBondContact O-N 2.96Å; T130-R132 PolarHBondContact O-N 2.81Å; T130-R132 PolarHBondContact OG1-N 3.21Å; T130-D133 WeakPolarHBondContact CA-OD2 3.47Å; T130-D133 VanDerWaalsContact CB-OD2 3.27Å; T130-D133 WeakPolarHBondContact CB-OD2 3.12Å; T130-D133 PolarHBondContact N-OD2 2.99Å; T130-D133 PolarHBondContact O-N 3.34Å; T130-D133 VanDerWaalsContact OG1-CG 3.25Å; T130-D133 PolarHBondContact OG1-N 2.97Å; T130-D133 PolarHBondContact OG1-OD2 2.84Å; T130-L134 WeakPolarHBondContact O-CG 3.41Å; T130-L134 PolarHBondContact O-N 3.46Å; T130-I149 VanDerWaalsContact C-CD1 3.42Å | ||
| 131 | E | 91.3 | Very high | 90.6 | Very high | 75 Ų | 75 | 57.9 Ų | 57.9 | 35% | 0.35 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -65 | -20.8 | 175.7 | -72.6 | 159 | -178.4 | 0 | 0 | 112.5 | R135 V147 I149 | E131-R135 WeakPolarHBondContact O-CB 3.27Å; E131-R135 PolarHBondContact O-N 2.61Å; E131-R135 VanDerWaalsContact O-N 3.12Å; E131-V147 HydrophobicContact CB-CG1 4.22Å; E131-V147 HydrophobicContact CG-CG1 4.15Å; E131-I149 HydrophobicContact CG-CB 4.07Å; E131-I149 HydrophobicContact CG-CD1 3.8Å; E131-I149 HydrophobicContact CG-CG1 3.62Å; E131-I149 PolarHBondContact OE1-N 3.47Å |
| 132 | R | 92.1 | Very high | 90.5 | Very high | 177 Ų | 177 | 58.5 Ų | 58.5 | 67% | 0.668 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -73.1 | -51.5 | 173.8 | -68 | -174.5 | 55.5 | 171.3 | -5.2 | 111.7 | T130 L134 R135 E136 | T130-R132 PolarHBondContact O-N 2.81Å; T130-R132 PolarHBondContact OG1-N 3.21Å; R132-L134 PolarHBondContact O-N 3.12Å; R132-R135 CarbonylContact O-C 3.52Å; R132-R135 WeakPolarHBondContact O-CA 3.5Å; R132-R135 WeakPolarHBondContact O-CB 3.25Å; R132-R135 PolarHBondContact O-N 3.14Å; R132-E136 IonicContact NE-OE1 3.31Å; R132-E136 IonicContact NH2-OE1 3.51Å; R132-E136 PolarHBondContact NH2-OE1 2.71Å; R132-E136 WeakPolarHBondContact O-CG 3.46Å; R132-E136 PolarHBondContact O-N 2.97Å |
| 133 | D | 91.8 | Very high | 90.6 | Very high | 54 Ų | 54 | 61.1 Ų | 61.1 | 29% | 0.289 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.9 | -38.6 | -177.7 | -39.6 | -52.9 | 0 | 0 | 0 | 110.5 | T129 T130 V137 | T129-D133 HydrophobicContact CG2-CB 4.28Å; T130-D133 WeakPolarHBondContact CA-OD2 3.47Å; T130-D133 VanDerWaalsContact CB-OD2 3.27Å; T130-D133 WeakPolarHBondContact CB-OD2 3.12Å; T130-D133 PolarHBondContact N-OD2 2.99Å; T130-D133 PolarHBondContact O-N 3.34Å; T130-D133 VanDerWaalsContact OG1-CG 3.25Å; T130-D133 PolarHBondContact OG1-N 2.97Å; T130-D133 PolarHBondContact OG1-OD2 2.84Å; D133-V137 VanDerWaalsContact O-CB 3.29Å; D133-V137 WeakPolarHBondContact O-CB 3.34Å; D133-V137 VanDerWaalsContact O-CG2 3.26Å; D133-V137 WeakPolarHBondContact O-CG2 3.47Å; D133-V137 PolarHBondContact O-N 2.72Å |
| 134 | L | 91.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.6 | -47.6 | 170.6 | -66.6 | 178.1 | 0 | 0 | 0 | 112.2 | L125 T129 T130 R132 E136 V137 F138 V147 I149 A162 L184 | L125-L134 HydrophobicContact CD1-CD1 3.98Å; L125-L134 HydrophobicContact CD1-CD2 4.07Å; L125-L134 HydrophobicContact CD2-CD2 3.77Å; T129-L134 HydrophobicContact CG2-CD2 3.99Å; T129-L134 HydrophobicContact CG2-CG 4.03Å; T130-L134 WeakPolarHBondContact O-CG 3.41Å; T130-L134 PolarHBondContact O-N 3.46Å; R132-L134 PolarHBondContact O-N 3.12Å; L134-E136 PolarHBondContact O-N 2.81Å; L134-V137 PolarHBondContact O-N 3.07Å; L134-F138 HydrophobicContact CD2-CE2 4.24Å; L134-F138 WeakPolarHBondContact O-CB 3.26Å; L134-F138 WeakPolarHBondContact O-CD2 3.48Å; L134-F138 PolarHBondContact O-N 2.9Å; L134-V147 HydrophobicContact CB-CG1 3.94Å; L134-V147 HydrophobicContact CD1-CG1 3.9Å; L134-I149 HydrophobicContact CD1-CD1 3.8Å; L134-I149 HydrophobicContact CD1-CG1 3.71Å; L134-A162 HydrophobicContact CD1-CB 3.51Å; L134-L184 HydrophobicContact CD2-CD2 4.06Å |
| 135 | R | 93.3 | Very high | 90.8 | Very high | 100 Ų | 100 | 59.2 Ų | 59.2 | 38% | 0.377 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.6 | -45.9 | 178.8 | -173 | 174.6 | -72.3 | -89.4 | 3 | 111 | E131 R132 F138 S139 I144 V147 | E131-R135 WeakPolarHBondContact O-CB 3.27Å; E131-R135 PolarHBondContact O-N 2.61Å; E131-R135 VanDerWaalsContact O-N 3.12Å; R132-R135 CarbonylContact O-C 3.52Å; R132-R135 WeakPolarHBondContact O-CA 3.5Å; R132-R135 WeakPolarHBondContact O-CB 3.25Å; R132-R135 PolarHBondContact O-N 3.14Å; R135-F138 PolarHBondContact O-N 2.91Å; R135-S139 WeakPolarHBondContact O-CB 3.27Å; R135-S139 PolarHBondContact O-N 3.46Å; R135-I144 HydrophobicContact CG-CD1 4.25Å; R135-I144 PolarHBondContact NH1-O 2.89Å; R135-V147 HydrophobicContact CB-CG2 4.22Å |
| 136 | E | 92.1 | Very high | 90.8 | Very high | 118 Ų | 118 | 62.6 Ų | 62.6 | 55% | 0.551 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -63.1 | -43.1 | 178.4 | -68 | 170.6 | -153.1 | 0 | 0 | 111.4 | R132 L134 | R132-E136 IonicContact NE-OE1 3.31Å; R132-E136 IonicContact NH2-OE1 3.51Å; R132-E136 PolarHBondContact NH2-OE1 2.71Å; R132-E136 WeakPolarHBondContact O-CG 3.46Å; R132-E136 PolarHBondContact O-N 2.97Å; L134-E136 PolarHBondContact O-N 2.81Å |
| 137 | V | 90.7 | Very high | 91 | Very high | 30 Ų | 30 | 62.7 Ų | 62.7 | 18% | 0.182 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -72.3 | -33.5 | 179.5 | 167.3 | 0 | 0 | 0 | 0 | 113.8 | D133 L134 K140 M182 L184 | D133-V137 VanDerWaalsContact O-CB 3.29Å; D133-V137 WeakPolarHBondContact O-CB 3.34Å; D133-V137 VanDerWaalsContact O-CG2 3.26Å; D133-V137 WeakPolarHBondContact O-CG2 3.47Å; D133-V137 PolarHBondContact O-N 2.72Å; L134-V137 PolarHBondContact O-N 3.07Å; V137-K140 VanDerWaalsContact O-CD 3.29Å; V137-K140 WeakPolarHBondContact O-CD 3.29Å; V137-K140 WeakPolarHBondContact O-CE 3.49Å; V137-K140 WeakPolarHBondContact O-CG 3.45Å; V137-K140 PolarHBondContact O-NZ 3.36Å; V137-K140 VanDerWaalsContact O-NZ 3.09Å; V137-M182 HydrophobicContact CG1-SD 3.7Å; V137-L184 HydrophobicContact CG2-CD1 3.84Å |
| 138 | F | 91 | Very high | 91.1 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -90.9 | -24.2 | -179.9 | -78.9 | -78 | 0 | 0 | 0 | 113.9 | V122 L134 R135 K140 Y141 I144 V164 F166 A175 A179 I189 V191 | V122-F138 HydrophobicContact CG1-CE2 4.32Å; V122-F138 HydrophobicContact CG1-CZ 4.26Å; V122-F138 HydrophobicContact CG2-CE2 3.78Å; V122-F138 HydrophobicContact CG2-CZ 3.61Å; L134-F138 HydrophobicContact CD2-CE2 4.24Å; L134-F138 WeakPolarHBondContact O-CB 3.26Å; L134-F138 WeakPolarHBondContact O-CD2 3.48Å; L134-F138 PolarHBondContact O-N 2.9Å; R135-F138 PolarHBondContact O-N 2.91Å; F138-K140 PolarHBondContact O-N 3.12Å; F138-K140 VanDerWaalsContact O-N 3.07Å; F138-Y141 HydrophobicContact CD1-CD2 4.05Å; F138-Y141 HydrophobicContact CD1-CE2 4.2Å; F138-Y141 WeakPolarHBondContact O-CD2 3.38Å; F138-Y141 PolarHBondContact O-N 3.22Å; F138-I144 HydrophobicContact CB-CD1 3.61Å; F138-V164 HydrophobicContact CB-CG1 4.36Å; F138-V164 HydrophobicContact CD2-CG2 4Å; F138-V164 HydrophobicContact CE2-CG2 4.27Å; F138-V164 HydrophobicContact CG-CG1 4.48Å; F138-V164 HydrophobicContact CG-CG2 4.41Å; F138-F166 HydrophobicContact CB-CZ 4.05Å; F138-F166 HydrophobicContact CD1-CE2 4.42Å; F138-F166 HydrophobicContact CD1-CZ 4.03Å; F138-F166 HydrophobicContact CG-CZ 4.44Å; F138-A175 HydrophobicContact CD1-CB 4.17Å; F138-A175 HydrophobicContact CE1-CB 4.48Å; F138-A179 HydrophobicContact CE1-CB 3.69Å; F138-A179 HydrophobicContact CZ-CB 4.08Å; F138-I189 HydrophobicContact CZ-CD1 4.26Å; F138-V191 HydrophobicContact CE1-CG2 4.41Å; F138-V191 HydrophobicContact CZ-CG2 4.05Å |
| 139 | S | 91.5 | Very high | 91.3 | Very high | 67 Ų | 67 | 52.6 Ų | 52.6 | 47% | 0.469 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -13.5 | -177.2 | -176.2 | 0 | 0 | 0 | 0 | 113.7 | R135 Y141 | R135-S139 WeakPolarHBondContact O-CB 3.27Å; R135-S139 PolarHBondContact O-N 3.46Å; S139-Y141 PolarHBondContact O-N 2.89Å |
| 140 | K | 91.9 | Very high | 91.4 | Very high | 119 Ų | 119 | 53.8 Ų | 53.8 | 52% | 0.517 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -9 | 172.5 | 75.3 | -163.3 | 179.6 | -149.5 | 0 | 114.3 | V137 F138 | V137-K140 VanDerWaalsContact O-CD 3.29Å; V137-K140 WeakPolarHBondContact O-CD 3.29Å; V137-K140 WeakPolarHBondContact O-CE 3.49Å; V137-K140 WeakPolarHBondContact O-CG 3.45Å; V137-K140 PolarHBondContact O-NZ 3.36Å; V137-K140 VanDerWaalsContact O-NZ 3.09Å; F138-K140 PolarHBondContact O-N 3.12Å; F138-K140 VanDerWaalsContact O-N 3.07Å |
| 141 | Y | 90.7 | Very high | 91.2 | Very high | 26 Ų | 26 | 56.4 Ų | 56.4 | 10% | 0.102 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -104 | -16.3 | 177.8 | -55.9 | -63.7 | 0 | 0 | 0 | 113.4 | F138 S139 A175 R178 A179 M182 | F138-Y141 HydrophobicContact CD1-CD2 4.05Å; F138-Y141 HydrophobicContact CD1-CE2 4.2Å; F138-Y141 WeakPolarHBondContact O-CD2 3.38Å; F138-Y141 PolarHBondContact O-N 3.22Å; S139-Y141 PolarHBondContact O-N 2.89Å; Y141-A175 HydrophobicContact CD2-CB 3.63Å; Y141-A175 HydrophobicContact CE2-CB 4.37Å; Y141-A175 HydrophobicContact CG-CB 3.79Å; Y141-R178 HydrophobicContact CD1-CB 4.38Å; Y141-R178 HydrophobicContact CE1-CB 3.48Å; Y141-R178 VanDerWaalsContact CE1-CB 3.48Å; Y141-R178 HydrophobicContact CE1-CG 4.19Å; Y141-A179 HydrophobicContact CE2-CB 4.03Å; Y141-M182 VanDerWaalsContact OH-CE 3.25Å; Y141-M182 WeakPolarHBondContact OH-CE 3.33Å |
| 142 | G | 91 | Very high | 90.9 | Very high | 14 Ų | 14 | 55.3 Ų | 55.3 | 14% | 0.144 | 28% | 0.281 | C | S | . | . | S | Bend | trans | 156.4 | 171.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 143 | P | 93.4 | Very high | 90.2 | Very high | 55 Ų | 55 | 53.6 Ų | 53.6 | 36% | 0.357 | 28% | 0.281 | S | S | . | . | trans | -61.5 | 134 | 178.5 | 24.7 | -36 | 0 | 0 | 0 | 113.5 | F166 E167 D171 | P143-F166 WeakPolarHBondContact O-CA 3.09Å; P143-F166 WeakPolarHBondContact O-CD1 3.36Å; P143-E167 HydrophobicContact CB-CG 4.15Å; P143-E167 WeakPolarHBondContact CB-OE2 3.32Å; P143-E167 HydrophobicContact CG-CB 4.18Å; P143-E167 HydrophobicContact CG-CG 4.33Å; P143-E167 WeakPolarHBondContact CG-OE2 3.24Å; P143-E167 PolarHBondContact O-N 2.81Å; P143-E167 VanDerWaalsContact O-N 3.15Å; P143-D171 WeakPolarHBondContact CD-OD2 3.26Å | ||
| 144 | I | 92.7 | Very high | 89.5 | Confident | 16 Ų | 16 | 59.7 Ų | 59.7 | 8% | 0.082 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 108.7 | -179.3 | -59.5 | 173.3 | 0 | 0 | 0 | 110 | R135 F138 D146 V147 V164 Y165 F166 | R135-I144 HydrophobicContact CG-CD1 4.25Å; R135-I144 PolarHBondContact NH1-O 2.89Å; F138-I144 HydrophobicContact CB-CD1 3.61Å; I144-D146 WeakPolarHBondContact CG2-O 3.38Å; I144-V147 HydrophobicContact CG2-CG2 3.61Å; I144-V164 HydrophobicContact CD1-CG1 4.24Å; I144-V164 HydrophobicContact CG1-CG1 4.3Å; I144-V164 HydrophobicContact CG2-CG1 3.98Å; I144-Y165 CarbonylContact C-O 3.57Å; I144-F166 HydrophobicContact CG1-CD1 4.3Å; I144-F166 HydrophobicContact CG1-CE1 4.06Å; I144-F166 HydrophobicContact CG1-CZ 4.47Å |
| 145 | A | 91.7 | Very high | 88.9 | Confident | 60 Ų | 60 | 62.5 Ų | 62.5 | 50% | 0.496 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | -49.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y165 E167 | A145-Y165 PolarHBondContact N-O 3.04Å; A145-E167 HydrophobicContact CB-CG 4.16Å |
| 146 | D | 91.2 | Very high | 88.3 | Confident | 74 Ų | 74 | 68.1 Ų | 68.1 | 40% | 0.396 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 156.9 | -176.4 | -171 | 30.6 | 0 | 0 | 0 | 113.8 | I144 Y165 | I144-D146 WeakPolarHBondContact CG2-O 3.38Å; D146-Y165 HydrophobicContact CB-CD2 3.83Å; D146-Y165 HydrophobicContact CB-CG 4.35Å; D146-Y165 PolarHBondContact N-O 2.81Å; D146-Y165 PolarHBondContact O-N 3.47Å |
| 147 | V | 92 | Very high | 87.9 | Confident | 7 Ų | 7 | 70.1 Ų | 70.1 | 4% | 0.042 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 122.6 | 174 | -175.1 | 0 | 0 | 0 | 0 | 109 | E131 L134 R135 I144 F163 V164 | E131-V147 HydrophobicContact CB-CG1 4.22Å; E131-V147 HydrophobicContact CG-CG1 4.15Å; L134-V147 HydrophobicContact CB-CG1 3.94Å; L134-V147 HydrophobicContact CD1-CG1 3.9Å; R135-V147 HydrophobicContact CB-CG2 4.22Å; I144-V147 HydrophobicContact CG2-CG2 3.61Å; V147-F163 WeakPolarHBondContact CA-O 3.23Å; V147-V164 HydrophobicContact CG1-CG2 4.45Å |
| 148 | S | 90.2 | Very high | 87.6 | Confident | 45 Ų | 45 | 69.2 Ų | 69.2 | 32% | 0.315 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 109.3 | -178.1 | -174.6 | 0 | 0 | 0 | 0 | 111.1 | A162 F163 | S148-A162 CarbonylContact O-C 3.55Å; S148-A162 WeakPolarHBondContact O-CA 3.37Å; S148-F163 PolarHBondContact N-O 2.57Å; S148-F163 PolarHBondContact O-N 2.83Å |
| 149 | I | 90.5 | Very high | 87.4 | Confident | 7 Ų | 7 | 75.7 Ų | 75.7 | 4% | 0.036 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 134 | 171 | -69.9 | -178.8 | 0 | 0 | 0 | 109.6 | T129 T130 E131 L134 Y151 A162 | T129-I149 WeakPolarHBondContact O-CD1 3.37Å; T130-I149 VanDerWaalsContact C-CD1 3.42Å; E131-I149 HydrophobicContact CG-CB 4.07Å; E131-I149 HydrophobicContact CG-CD1 3.8Å; E131-I149 HydrophobicContact CG-CG1 3.62Å; E131-I149 PolarHBondContact OE1-N 3.47Å; L134-I149 HydrophobicContact CD1-CD1 3.8Å; L134-I149 HydrophobicContact CD1-CG1 3.71Å; I149-Y151 HydrophobicContact CB-CD2 4.42Å; I149-Y151 HydrophobicContact CB-CE2 3.67Å; I149-Y151 HydrophobicContact CG2-CD1 4.28Å; I149-Y151 HydrophobicContact CG2-CD2 4.12Å; I149-Y151 HydrophobicContact CG2-CE1 3.83Å; I149-Y151 HydrophobicContact CG2-CE2 3.66Å; I149-Y151 HydrophobicContact CG2-CG 4.4Å; I149-Y151 VanDerWaalsContact CG2-CZ 3.49Å; I149-Y151 VanDerWaalsContact O-CD2 3.23Å; I149-Y151 WeakPolarHBondContact O-CD2 3.44Å; I149-Y151 WeakPolarHBondContact O-CE2 3.43Å; I149-Y151 PolarHBondContact O-N 2.98Å; I149-A162 HydrophobicContact CB-CB 4.49Å; I149-A162 HydrophobicContact CG1-CB 3.81Å |
| 150 | V | 87.9 | Confident | 87.2 | Confident | 28 Ų | 28 | 73.1 Ų | 73.1 | 17% | 0.17 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 103.6 | 176.4 | -169.2 | 0 | 0 | 0 | 0 | 109.9 | R159 F161 F163 | V150-R159 VanDerWaalsContact O-CB 3.22Å; V150-R159 WeakPolarHBondContact O-CB 3.32Å; V150-R159 VanDerWaalsContact O-CG 3.24Å; V150-R159 WeakPolarHBondContact O-CG 3.36Å; V150-R159 PolarHBondContact O-N 3.34Å; V150-F161 HydrophobicContact CB-CD2 4.18Å; V150-F161 HydrophobicContact CB-CE1 4.48Å; V150-F161 HydrophobicContact CB-CE2 3.68Å; V150-F161 HydrophobicContact CB-CZ 3.84Å; V150-F161 HydrophobicContact CG1-CE2 4.13Å; V150-F161 HydrophobicContact CG1-CZ 3.91Å; V150-F161 HydrophobicContact CG2-CD2 3.95Å; V150-F161 HydrophobicContact CG2-CE2 3.47Å; V150-F161 VanDerWaalsContact CG2-CE2 3.47Å; V150-F161 HydrophobicContact CG2-CZ 4.11Å; V150-F161 PolarHBondContact N-O 3.11Å; V150-F163 HydrophobicContact CG2-CD2 3.98Å; V150-F163 HydrophobicContact CG2-CE2 3.73Å |
| 151 | Y | 87.4 | Confident | 87.2 | Confident | 112 Ų | 112 | 69.5 Ų | 69.5 | 44% | 0.439 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 151.4 | 172.8 | -57 | -88.2 | 0 | 0 | 0 | 111.9 | I149 R157 | I149-Y151 HydrophobicContact CB-CD2 4.42Å; I149-Y151 HydrophobicContact CB-CE2 3.67Å; I149-Y151 HydrophobicContact CG2-CD1 4.28Å; I149-Y151 HydrophobicContact CG2-CD2 4.12Å; I149-Y151 HydrophobicContact CG2-CE1 3.83Å; I149-Y151 HydrophobicContact CG2-CE2 3.66Å; I149-Y151 HydrophobicContact CG2-CG 4.4Å; I149-Y151 VanDerWaalsContact CG2-CZ 3.49Å; I149-Y151 VanDerWaalsContact O-CD2 3.23Å; I149-Y151 WeakPolarHBondContact O-CD2 3.44Å; I149-Y151 WeakPolarHBondContact O-CE2 3.43Å; I149-Y151 PolarHBondContact O-N 2.98Å; Y151-R157 WeakPolarHBondContact CA-O 3.15Å |
| 152 | D | 84.4 | Confident | 87.2 | Confident | 52 Ų | 52 | 68.2 Ų | 68.2 | 28% | 0.278 | 33% | 0.334 | S | S | . | . | trans | -84.7 | 126.6 | 167.6 | 167.6 | 43.8 | 0 | 0 | 0 | 110.3 | Q154 S155 R156 R157 R159 | D152-Q154 VanDerWaalsContact C-N 3.26Å; D152-Q154 PolarHBondContact O-N 3.05Å; D152-Q154 PolarHBondContact OD1-N 3.12Å; D152-S155 VanDerWaalsContact OD2-CB 3.24Å; D152-S155 WeakPolarHBondContact OD2-CB 3.49Å; D152-S155 PolarHBondContact OD2-N 3.16Å; D152-S155 PolarHBondContact OD2-OG 2.83Å; D152-R156 VanDerWaalsContact O-CA 3.3Å; D152-R156 WeakPolarHBondContact O-CA 3.25Å; D152-R156 PolarHBondContact O-N 2.87Å; D152-R157 PolarHBondContact N-O 3.36Å; D152-R159 HydrophobicContact CB-CG 3.91Å | ||
| 153 | Q | 76.6 | Confident | 87.3 | Confident | 141 Ų | 141 | 68.4 Ų | 68.4 | 66% | 0.659 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -23.6 | -177.3 | -169.7 | 172.5 | 5.2 | 0 | 0 | 112.7 | ||
| 154 | Q | 77.8 | Confident | 87.2 | Confident | 183 Ų | 183 | 65.8 Ų | 65.8 | 86% | 0.855 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -50.4 | 179.8 | -64.3 | -169.9 | -10.3 | 0 | 0 | 112.5 | D152 | D152-Q154 VanDerWaalsContact C-N 3.26Å; D152-Q154 PolarHBondContact O-N 3.05Å; D152-Q154 PolarHBondContact OD1-N 3.12Å |
| 155 | S | 80 | Confident | 87.2 | Confident | 59 Ų | 59 | 66.2 Ų | 66.2 | 41% | 0.413 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -9.4 | -176 | 64.2 | 0 | 0 | 0 | 0 | 115 | D152 R157 | D152-S155 VanDerWaalsContact OD2-CB 3.24Å; D152-S155 WeakPolarHBondContact OD2-CB 3.49Å; D152-S155 PolarHBondContact OD2-N 3.16Å; D152-S155 PolarHBondContact OD2-OG 2.83Å; S155-R157 PolarHBondContact O-N 2.82Å; S155-R157 VanDerWaalsContact O-N 3.12Å; S155-R157 PolarHBondContact OG-N 3.14Å |
| 156 | R | 79 | Confident | 87.2 | Confident | 217 Ų | 217 | 63.7 Ų | 63.7 | 82% | 0.819 | 29% | 0.293 | S | S | * | . | trans | 59.7 | 6.3 | -169.8 | -66 | -71.5 | -159.6 | 169.3 | 6.4 | 115.1 | D152 | D152-R156 VanDerWaalsContact O-CA 3.3Å; D152-R156 WeakPolarHBondContact O-CA 3.25Å; D152-R156 PolarHBondContact O-N 2.87Å | ||
| 157 | R | 83.5 | Confident | 87.3 | Confident | 160 Ų | 160 | 66 Ų | 66 | 60% | 0.604 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -87.1 | 154.5 | -179.6 | -63.6 | 176.3 | -177 | -161.7 | -3.6 | 111.1 | Y151 D152 S155 | Y151-R157 WeakPolarHBondContact CA-O 3.15Å; D152-R157 PolarHBondContact N-O 3.36Å; S155-R157 PolarHBondContact O-N 2.82Å; S155-R157 VanDerWaalsContact O-N 3.12Å; S155-R157 PolarHBondContact OG-N 3.14Å |
| 158 | S | 85.3 | Confident | 87.3 | Confident | 11 Ų | 11 | 69.5 Ų | 69.5 | 8% | 0.077 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 147.8 | 168.9 | 77.3 | 0 | 0 | 0 | 0 | 109.7 | S126 L127 G160 | S126-S158 PolarHBondContact O-OG 2.95Å; S126-S158 VanDerWaalsContact O-OG 3.12Å; L127-S158 WeakPolarHBondContact CD2-O 3.46Å; S158-G160 PolarHBondContact O-N 2.83Å |
| 159 | R | 86 | Confident | 87.3 | Confident | 136 Ų | 136 | 70 Ų | 70 | 51% | 0.513 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 11.2 | 178.3 | -63.5 | 179.2 | 68.3 | -165.5 | -3.6 | 113.3 | V150 D152 F161 | V150-R159 VanDerWaalsContact O-CB 3.22Å; V150-R159 WeakPolarHBondContact O-CB 3.32Å; V150-R159 VanDerWaalsContact O-CG 3.24Å; V150-R159 WeakPolarHBondContact O-CG 3.36Å; V150-R159 PolarHBondContact O-N 3.34Å; D152-R159 HydrophobicContact CB-CG 3.91Å; R159-F161 VanDerWaalsContact C-N 3.27Å; R159-F161 HydrophobicContact CB-CD1 3.74Å; R159-F161 HydrophobicContact CB-CE1 3.5Å; R159-F161 VanDerWaalsContact CB-CE1 3.5Å; R159-F161 HydrophobicContact CB-CZ 4.42Å; R159-F161 HydrophobicContact CG-CE1 4.43Å; R159-F161 WeakPolarHBondContact O-CD1 3.39Å; R159-F161 PolarHBondContact O-N 2.86Å |
| 160 | G | 88.9 | Confident | 87.4 | Confident | 14 Ų | 14 | 75.4 Ų | 75.4 | 14% | 0.144 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 70.4 | 18.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | G124 L125 S158 | G124-G160 PolarHBondContact N-O 2.89Å; L125-G160 PolarHBondContact N-O 3.47Å; S158-G160 PolarHBondContact O-N 2.83Å |
| 161 | F | 90.7 | Very high | 87.6 | Confident | 42 Ų | 42 | 75.7 Ų | 75.7 | 18% | 0.184 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 153.2 | 173.1 | 71.6 | -88.5 | 0 | 0 | 0 | 113.3 | V122 F123 V150 R159 F163 | V122-F161 CarbonylContact O-C 3.6Å; V122-F161 WeakPolarHBondContact O-CA 3.36Å; V122-F161 VanDerWaalsContact O-CB 3.27Å; V122-F161 WeakPolarHBondContact O-CB 3.44Å; F123-F161 HydrophobicContact CD1-CB 3.66Å; F123-F161 HydrophobicContact CD1-CG 4.28Å; F123-F161 HydrophobicContact CE1-CB 4.16Å; F123-F161 HydrophobicContact CE1-CD2 4.45Å; F123-F161 HydrophobicContact CE1-CG 4.4Å; F123-F161 HydrophobicContact CG-CB 4.42Å; V150-F161 HydrophobicContact CB-CD2 4.18Å; V150-F161 HydrophobicContact CB-CE1 4.48Å; V150-F161 HydrophobicContact CB-CE2 3.68Å; V150-F161 HydrophobicContact CB-CZ 3.84Å; V150-F161 HydrophobicContact CG1-CE2 4.13Å; V150-F161 HydrophobicContact CG1-CZ 3.91Å; V150-F161 HydrophobicContact CG2-CD2 3.95Å; V150-F161 HydrophobicContact CG2-CE2 3.47Å; V150-F161 VanDerWaalsContact CG2-CE2 3.47Å; V150-F161 HydrophobicContact CG2-CZ 4.11Å; V150-F161 PolarHBondContact N-O 3.11Å; R159-F161 VanDerWaalsContact C-N 3.27Å; R159-F161 HydrophobicContact CB-CD1 3.74Å; R159-F161 HydrophobicContact CB-CE1 3.5Å; R159-F161 VanDerWaalsContact CB-CE1 3.5Å; R159-F161 HydrophobicContact CB-CZ 4.42Å; R159-F161 HydrophobicContact CG-CE1 4.43Å; R159-F161 WeakPolarHBondContact O-CD1 3.39Å; R159-F161 PolarHBondContact O-N 2.86Å; F161-F163 HydrophobicContact CD2-CE2 4.03Å; F161-F163 HydrophobicContact CD2-CZ 4.17Å; F161-F163 AromaticContact CE2-CE2 3.87Å; F161-F163 HydrophobicContact CE2-CE2 3.87Å; F161-F163 HydrophobicContact CE2-CZ 4.1Å |
| 162 | A | 91.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 167.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | V122 L125 L134 S148 I149 | V122-A162 PolarHBondContact N-O 3.04Å; V122-A162 PolarHBondContact O-N 2.86Å; L125-A162 HydrophobicContact CD1-CB 3.58Å; L134-A162 HydrophobicContact CD1-CB 3.51Å; S148-A162 CarbonylContact O-C 3.55Å; S148-A162 WeakPolarHBondContact O-CA 3.37Å; I149-A162 HydrophobicContact CB-CB 4.49Å; I149-A162 HydrophobicContact CG1-CB 3.81Å |
| 163 | F | 91.9 | Very high | 88.1 | Confident | 18 Ų | 18 | 72.6 Ų | 72.6 | 8% | 0.079 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 128 | 170.7 | -61.3 | -77.3 | 0 | 0 | 0 | 110.2 | L120 V147 S148 V150 F161 Y165 H200 | L120-F163 WeakPolarHBondContact O-CA 3.22Å; V147-F163 WeakPolarHBondContact CA-O 3.23Å; S148-F163 PolarHBondContact N-O 2.57Å; S148-F163 PolarHBondContact O-N 2.83Å; V150-F163 HydrophobicContact CG2-CD2 3.98Å; V150-F163 HydrophobicContact CG2-CE2 3.73Å; F161-F163 HydrophobicContact CD2-CE2 4.03Å; F161-F163 HydrophobicContact CD2-CZ 4.17Å; F161-F163 AromaticContact CE2-CE2 3.87Å; F161-F163 HydrophobicContact CE2-CE2 3.87Å; F161-F163 HydrophobicContact CE2-CZ 4.1Å; F163-Y165 HydrophobicContact CB-CE2 3.79Å; F163-H200 AromaticContact CD1-CD2 3.85Å; F163-H200 AromaticContact CD1-NE2 3.91Å; F163-H200 AromaticContact CD2-CD2 3.51Å; F163-H200 AromaticContact CE1-CD2 3.71Å; F163-H200 AromaticContact CE1-NE2 3.39Å; F163-H200 WeakPolarHBondContact CE1-NE2 3.38Å; F163-H200 AromaticContact CE2-CD2 3.34Å; F163-H200 WeakPolarHBondContact CE2-CD2 3.45Å; F163-H200 AromaticContact CE2-NE2 3.7Å; F163-H200 AromaticContact CG-CD2 3.75Å; F163-H200 AromaticContact CZ-CD2 3.46Å; F163-H200 VanDerWaalsContact CZ-CD2 3.46Å; F163-H200 WeakPolarHBondContact CZ-CD2 3.1Å; F163-H200 AromaticContact CZ-NE2 3.27Å; F163-H200 VanDerWaalsContact CZ-NE2 3.27Å; F163-H200 WeakPolarHBondContact CZ-NE2 3.23Å |
| 164 | V | 92.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 129 | 174.9 | -177.9 | 0 | 0 | 0 | 0 | 107.7 | C119 L120 V122 F138 I144 V147 F166 | C119-V164 CarbonylContact C-O 3.57Å; C119-V164 WeakPolarHBondContact CA-O 3.24Å; L120-V164 PolarHBondContact N-O 3.13Å; L120-V164 PolarHBondContact O-N 2.85Å; V122-V164 HydrophobicContact CG2-CG2 4.02Å; F138-V164 HydrophobicContact CB-CG1 4.36Å; F138-V164 HydrophobicContact CD2-CG2 4Å; F138-V164 HydrophobicContact CE2-CG2 4.27Å; F138-V164 HydrophobicContact CG-CG1 4.48Å; F138-V164 HydrophobicContact CG-CG2 4.41Å; I144-V164 HydrophobicContact CD1-CG1 4.24Å; I144-V164 HydrophobicContact CG1-CG1 4.3Å; I144-V164 HydrophobicContact CG2-CG1 3.98Å; V147-V164 HydrophobicContact CG1-CG2 4.45Å; V164-F166 HydrophobicContact CB-CE2 4.37Å; V164-F166 HydrophobicContact CG1-CD2 4.05Å; V164-F166 HydrophobicContact CG1-CE2 3.62Å; V164-F166 HydrophobicContact CG1-CZ 4.16Å |
| 165 | Y | 92 | Very high | 89.5 | Confident | 24 Ų | 24 | 60.4 Ų | 60.4 | 9% | 0.094 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 108.2 | 178.2 | -54.6 | -93.8 | 0 | 0 | 0 | 108.2 | C118 C119 I144 A145 D146 F163 P199 H200 | C118-Y165 CarbonylContact O-C 3.53Å; C118-Y165 WeakPolarHBondContact O-CA 3.24Å; C119-Y165 HydrophobicContact CB-CD1 3.89Å; C119-Y165 HydrophobicContact CB-CE1 4.03Å; C119-Y165 WeakPolarHBondContact SG-CE1 3.46Å; I144-Y165 CarbonylContact C-O 3.57Å; A145-Y165 PolarHBondContact N-O 3.04Å; D146-Y165 HydrophobicContact CB-CD2 3.83Å; D146-Y165 HydrophobicContact CB-CG 4.35Å; D146-Y165 PolarHBondContact N-O 2.81Å; D146-Y165 PolarHBondContact O-N 3.47Å; F163-Y165 HydrophobicContact CB-CE2 3.79Å; Y165-P199 HydrophobicContact CE1-CB 4.3Å; Y165-P199 WeakPolarHBondContact OH-CA 3.4Å; Y165-H200 PolarHBondContact OH-N 3.07Å |
| 166 | F | 93.1 | Very high | 90 | Very high | 7 Ų | 7 | 59.4 Ų | 59.4 | 3% | 0.031 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 162.4 | 168.9 | -71.3 | -92.8 | 0 | 0 | 0 | 110.4 | C118 L120 F138 P143 I144 V164 N168 D171 A172 A175 | C118-F166 HydrophobicContact CB-CB 4.23Å; C118-F166 WeakPolarHBondContact CB-O 3.47Å; C118-F166 PolarHBondContact O-N 3.47Å; L120-F166 HydrophobicContact CD1-CD2 4.32Å; L120-F166 HydrophobicContact CD1-CE2 3.71Å; L120-F166 HydrophobicContact CG-CD2 4.37Å; L120-F166 HydrophobicContact CG-CE2 4.18Å; F138-F166 HydrophobicContact CB-CZ 4.05Å; F138-F166 HydrophobicContact CD1-CE2 4.42Å; F138-F166 HydrophobicContact CD1-CZ 4.03Å; F138-F166 HydrophobicContact CG-CZ 4.44Å; P143-F166 WeakPolarHBondContact O-CA 3.09Å; P143-F166 WeakPolarHBondContact O-CD1 3.36Å; I144-F166 HydrophobicContact CG1-CD1 4.3Å; I144-F166 HydrophobicContact CG1-CE1 4.06Å; I144-F166 HydrophobicContact CG1-CZ 4.47Å; V164-F166 HydrophobicContact CB-CE2 4.37Å; V164-F166 HydrophobicContact CG1-CD2 4.05Å; V164-F166 HydrophobicContact CG1-CE2 3.62Å; V164-F166 HydrophobicContact CG1-CZ 4.16Å; F166-N168 WeakPolarHBondContact CB-O 3.33Å; F166-D171 HydrophobicContact CD1-CB 3.93Å; F166-D171 HydrophobicContact CE1-CB 4.47Å; F166-A172 HydrophobicContact CB-CB 4.15Å; F166-A172 HydrophobicContact CD2-CB 3.77Å; F166-A172 HydrophobicContact CE2-CB 4.48Å; F166-A172 HydrophobicContact CG-CB 4.07Å; F166-A175 HydrophobicContact CE1-CB 4.32Å; F166-A175 HydrophobicContact CE2-CB 3.97Å; F166-A175 HydrophobicContact CZ-CB 3.57Å |
| 167 | E | 91.6 | Very high | 90.5 | Very high | 123 Ų | 123 | 55.4 Ų | 55.4 | 58% | 0.575 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -75.2 | -49.2 | 168.9 | -60.4 | -176 | 158.6 | 0 | 0 | 110.3 | C118 P143 A145 | C118-E167 PolarHBondContact SG-O 2.98Å; P143-E167 HydrophobicContact CB-CG 4.15Å; P143-E167 WeakPolarHBondContact CB-OE2 3.32Å; P143-E167 HydrophobicContact CG-CB 4.18Å; P143-E167 HydrophobicContact CG-CG 4.33Å; P143-E167 WeakPolarHBondContact CG-OE2 3.24Å; P143-E167 PolarHBondContact O-N 2.81Å; P143-E167 VanDerWaalsContact O-N 3.15Å; A145-E167 HydrophobicContact CB-CG 4.16Å |
| 168 | N | 92.1 | Very high | 90.9 | Very high | 80 Ų | 80 | 55.1 Ų | 55.1 | 43% | 0.428 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -93.6 | 158.7 | -178.4 | -51.5 | -57.9 | 0 | 0 | 0 | 113.3 | C118 F166 D171 | C118-N168 WeakPolarHBondContact CB-O 3.47Å; F166-N168 WeakPolarHBondContact CB-O 3.33Å; N168-D171 HydrophobicContact CB-CB 4.36Å; N168-D171 WeakPolarHBondContact CB-OD2 3.41Å; N168-D171 PolarHBondContact ND2-OD2 3.28Å |
| 169 | V | 91.1 | Very high | 91 | Very high | 56 Ų | 56 | 54.6 Ų | 54.6 | 34% | 0.339 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -80.6 | -36.7 | 174.9 | -178.9 | 0 | 0 | 0 | 0 | 111.4 | P116 C118 A172 K173 | P116-V169 HydrophobicContact CB-CG1 4.06Å; C118-V169 VanDerWaalsContact SG-CG2 3.53Å; V169-A172 WeakPolarHBondContact O-CB 3.38Å; V169-A172 PolarHBondContact O-N 2.9Å; V169-K173 PolarHBondContact O-N 3.15Å |
| 170 | D | 92 | Very high | 91.2 | Very high | 120 Ų | 120 | 52.1 Ų | 52.1 | 64% | 0.642 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -70.9 | -42.3 | -175.3 | -59.7 | -84.6 | 0 | 0 | 0 | 112.1 | A172 K173 E174 | D170-A172 VanDerWaalsContact C-N 3.28Å; D170-A172 PolarHBondContact O-N 2.93Å; D170-K173 WeakPolarHBondContact O-CA 3.37Å; D170-K173 WeakPolarHBondContact O-CB 3.49Å; D170-K173 PolarHBondContact O-N 2.95Å; D170-E174 PolarHBondContact O-N 3.36Å |
| 171 | D | 92.3 | Very high | 91.1 | Very high | 34 Ų | 34 | 52.6 Ų | 52.6 | 18% | 0.182 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -56.3 | -43.1 | 170.7 | -53 | -6.9 | 0 | 0 | 0 | 111.2 | P143 F166 N168 K173 E174 A175 | P143-D171 WeakPolarHBondContact CD-OD2 3.26Å; F166-D171 HydrophobicContact CD1-CB 3.93Å; F166-D171 HydrophobicContact CE1-CB 4.47Å; N168-D171 HydrophobicContact CB-CB 4.36Å; N168-D171 WeakPolarHBondContact CB-OD2 3.41Å; N168-D171 PolarHBondContact ND2-OD2 3.28Å; D171-K173 VanDerWaalsContact C-N 3.31Å; D171-K173 PolarHBondContact O-N 3.38Å; D171-E174 PolarHBondContact O-N 2.81Å; D171-A175 WeakPolarHBondContact O-CB 3.27Å; D171-A175 PolarHBondContact O-N 3.15Å |
| 172 | A | 91 | Very high | 91 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.6 | -32.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L120 F166 V169 D170 K176 | L120-A172 HydrophobicContact CD1-CB 4.41Å; L120-A172 WeakPolarHBondContact CD1-O 3.37Å; L120-A172 HydrophobicContact CD2-CB 4.11Å; L120-A172 HydrophobicContact CG-CB 4.16Å; F166-A172 HydrophobicContact CB-CB 4.15Å; F166-A172 HydrophobicContact CD2-CB 3.77Å; F166-A172 HydrophobicContact CE2-CB 4.48Å; F166-A172 HydrophobicContact CG-CB 4.07Å; V169-A172 WeakPolarHBondContact O-CB 3.38Å; V169-A172 PolarHBondContact O-N 2.9Å; D170-A172 VanDerWaalsContact C-N 3.28Å; D170-A172 PolarHBondContact O-N 2.93Å; A172-K176 WeakPolarHBondContact O-CB 3.45Å; A172-K176 PolarHBondContact O-N 2.98Å |
| 173 | K | 91.6 | Very high | 90.9 | Very high | 100 Ų | 100 | 59.4 Ų | 59.4 | 44% | 0.435 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -69.1 | -47.6 | 173.2 | -176.6 | -164.3 | 166.2 | -157.9 | 0 | 111.1 | V169 D170 D171 K176 E177 F193 | V169-K173 PolarHBondContact O-N 3.15Å; D170-K173 WeakPolarHBondContact O-CA 3.37Å; D170-K173 WeakPolarHBondContact O-CB 3.49Å; D170-K173 PolarHBondContact O-N 2.95Å; D171-K173 VanDerWaalsContact C-N 3.31Å; D171-K173 PolarHBondContact O-N 3.38Å; K173-K176 WeakPolarHBondContact O-CB 3.25Å; K173-K176 PolarHBondContact O-N 2.87Å; K173-E177 WeakPolarHBondContact CE-OE1 3.04Å; K173-E177 PolarHBondContact O-N 3.36Å; K173-F193 HydrophobicContact CB-CZ 4.06Å; K173-F193 HydrophobicContact CG-CZ 4.23Å |
| 174 | E | 91.9 | Very high | 90.6 | Very high | 68 Ų | 68 | 59.3 Ų | 59.3 | 32% | 0.318 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.1 | -46.1 | 176.4 | -173.3 | -178.3 | 106 | 0 | 0 | 111.1 | D170 D171 K176 E177 R178 | D170-E174 PolarHBondContact O-N 3.36Å; D171-E174 PolarHBondContact O-N 2.81Å; E174-K176 VanDerWaalsContact C-N 3.29Å; E174-K176 PolarHBondContact O-N 3.29Å; E174-E177 PolarHBondContact O-N 3.27Å; E174-E177 VanDerWaalsContact O-N 3.13Å; E174-R178 VanDerWaalsContact CD-NH2 3.28Å; E174-R178 HydrophobicContact CG-CG 4.08Å; E174-R178 WeakPolarHBondContact O-CB 3.04Å; E174-R178 PolarHBondContact O-N 3.11Å; E174-R178 IonicContact OE1-CZ 2.72Å; E174-R178 IonicContact OE1-NE 3.02Å; E174-R178 IonicContact OE1-NH1 3.7Å; E174-R178 PolarHBondContact OE1-NH1 3.13Å; E174-R178 IonicContact OE1-NH2 3.28Å; E174-R178 IonicContact OE2-CZ 2.71Å; E174-R178 IonicContact OE2-NE 3.06Å; E174-R178 IonicContact OE2-NH1 3.44Å; E174-R178 PolarHBondContact OE2-NH1 3.01Å; E174-R178 IonicContact OE2-NH2 3.68Å; E174-R178 PolarHBondContact OE2-NH2 3.17Å |
| 175 | A | 91.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -57.7 | -40.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | L120 F138 Y141 F166 D171 A179 | L120-A175 HydrophobicContact CD1-CB 3.82Å; F138-A175 HydrophobicContact CD1-CB 4.17Å; F138-A175 HydrophobicContact CE1-CB 4.48Å; Y141-A175 HydrophobicContact CD2-CB 3.63Å; Y141-A175 HydrophobicContact CE2-CB 4.37Å; Y141-A175 HydrophobicContact CG-CB 3.79Å; F166-A175 HydrophobicContact CE1-CB 4.32Å; F166-A175 HydrophobicContact CE2-CB 3.97Å; F166-A175 HydrophobicContact CZ-CB 3.57Å; D171-A175 WeakPolarHBondContact O-CB 3.27Å; D171-A175 PolarHBondContact O-N 3.15Å; A175-A179 WeakPolarHBondContact O-CB 3.34Å; A175-A179 PolarHBondContact O-N 3.17Å |
| 176 | K | 91.1 | Very high | 89.8 | Confident | 37 Ų | 37 | 66 Ų | 66 | 16% | 0.161 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60.8 | -50.6 | 172.9 | -175.8 | -162.8 | 172.1 | -168.1 | 0 | 111.2 | L120 A172 K173 E174 N180 V191 F193 | L120-K176 HydrophobicContact CD1-CB 4.42Å; L120-K176 HydrophobicContact CD2-CB 4.28Å; A172-K176 WeakPolarHBondContact O-CB 3.45Å; A172-K176 PolarHBondContact O-N 2.98Å; K173-K176 WeakPolarHBondContact O-CB 3.25Å; K173-K176 PolarHBondContact O-N 2.87Å; E174-K176 VanDerWaalsContact C-N 3.29Å; E174-K176 PolarHBondContact O-N 3.29Å; K176-N180 WeakPolarHBondContact O-CB 3.35Å; K176-N180 PolarHBondContact O-N 3.02Å; K176-N180 VanDerWaalsContact O-N 3.17Å; K176-V191 HydrophobicContact CB-CG1 4.31Å; K176-V191 HydrophobicContact CG-CG1 4.32Å; K176-F193 HydrophobicContact CD-CD2 3.84Å; K176-F193 HydrophobicContact CD-CE1 4.37Å; K176-F193 HydrophobicContact CD-CE2 3.62Å; K176-F193 HydrophobicContact CD-CG 4.29Å; K176-F193 HydrophobicContact CD-CZ 3.89Å |
| 177 | E | 89.9 | Confident | 89.6 | Confident | 133 Ų | 133 | 70.4 Ų | 70.4 | 62% | 0.621 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -67.1 | -36.7 | -175.4 | -72.1 | 174.4 | -164 | 0 | 0 | 112.4 | K173 E174 | K173-E177 WeakPolarHBondContact CE-OE1 3.04Å; K173-E177 PolarHBondContact O-N 3.36Å; E174-E177 PolarHBondContact O-N 3.27Å; E174-E177 VanDerWaalsContact O-N 3.13Å |
| 178 | R | 90.5 | Very high | 89.6 | Confident | 154 Ų | 154 | 72.6 Ų | 72.6 | 58% | 0.581 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -89.9 | -25.2 | -178.5 | -65.5 | -173.7 | -178.8 | 171.4 | 4.9 | 115.3 | Y141 E174 | Y141-R178 HydrophobicContact CD1-CB 4.38Å; Y141-R178 HydrophobicContact CE1-CB 3.48Å; Y141-R178 VanDerWaalsContact CE1-CB 3.48Å; Y141-R178 HydrophobicContact CE1-CG 4.19Å; E174-R178 VanDerWaalsContact CD-NH2 3.28Å; E174-R178 HydrophobicContact CG-CG 4.08Å; E174-R178 WeakPolarHBondContact O-CB 3.04Å; E174-R178 PolarHBondContact O-N 3.11Å; E174-R178 IonicContact OE1-CZ 2.72Å; E174-R178 IonicContact OE1-NE 3.02Å; E174-R178 IonicContact OE1-NH1 3.7Å; E174-R178 PolarHBondContact OE1-NH1 3.13Å; E174-R178 IonicContact OE1-NH2 3.28Å; E174-R178 IonicContact OE2-CZ 2.71Å; E174-R178 IonicContact OE2-NE 3.06Å; E174-R178 IonicContact OE2-NH1 3.44Å; E174-R178 PolarHBondContact OE2-NH1 3.01Å; E174-R178 IonicContact OE2-NH2 3.68Å; E174-R178 PolarHBondContact OE2-NH2 3.17Å |
| 179 | A | 88.5 | Confident | 89.6 | Confident | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -99.8 | -15.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | F138 Y141 A175 G181 M182 I189 V191 | F138-A179 HydrophobicContact CE1-CB 3.69Å; F138-A179 HydrophobicContact CZ-CB 4.08Å; Y141-A179 HydrophobicContact CE2-CB 4.03Å; A175-A179 WeakPolarHBondContact O-CB 3.34Å; A175-A179 PolarHBondContact O-N 3.17Å; A179-G181 PolarHBondContact O-N 3.27Å; A179-G181 VanDerWaalsContact O-N 3.14Å; A179-M182 HydrophobicContact CB-CE 4.2Å; A179-M182 VanDerWaalsContact O-CB 3.23Å; A179-M182 WeakPolarHBondContact O-CB 3.44Å; A179-M182 PolarHBondContact O-N 3.12Å; A179-M182 VanDerWaalsContact O-N 3.17Å; A179-I189 WeakPolarHBondContact O-CG1 3.45Å; A179-V191 HydrophobicContact CB-CG2 4.05Å |
| 180 | N | 89.5 | Confident | 89.6 | Confident | 84 Ų | 84 | 72.8 Ų | 72.8 | 45% | 0.449 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | 112.2 | 176.4 | -179.2 | 49.4 | 0 | 0 | 0 | 111.6 | K176 R190 V191 | K176-N180 WeakPolarHBondContact O-CB 3.35Å; K176-N180 PolarHBondContact O-N 3.02Å; K176-N180 VanDerWaalsContact O-N 3.17Å; N180-R190 WeakPolarHBondContact OD1-CA 3.17Å; N180-V191 HydrophobicContact CB-CB 4.22Å; N180-V191 PolarHBondContact OD1-N 2.9Å; N180-V191 VanDerWaalsContact OD1-N 3.16Å |
| 181 | G | 86.5 | Confident | 89.6 | Confident | 24 Ų | 24 | 67 Ų | 67 | 25% | 0.247 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 97.4 | -0.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115 | A179 R188 I189 | A179-G181 PolarHBondContact O-N 3.27Å; A179-G181 VanDerWaalsContact O-N 3.14Å; G181-R188 PolarHBondContact O-NE 2.98Å; G181-R188 VanDerWaalsContact O-NE 3.12Å; G181-R188 PolarHBondContact O-NH2 3.27Å; G181-I189 VanDerWaalsContact CA-O 3.29Å; G181-I189 WeakPolarHBondContact CA-O 3.04Å; G181-I189 PolarHBondContact N-O 2.72Å |
| 182 | M | 89 | Confident | 89.5 | Confident | 47 Ų | 47 | 66.8 Ų | 66.8 | 23% | 0.232 | 32% | 0.32 | C | S | . | . | trans | -60.5 | 154.4 | 171.8 | 176.8 | -178.5 | -70.4 | 0 | 0 | 111.6 | V137 Y141 A179 R188 I189 | V137-M182 HydrophobicContact CG1-SD 3.7Å; Y141-M182 VanDerWaalsContact OH-CE 3.25Å; Y141-M182 WeakPolarHBondContact OH-CE 3.33Å; A179-M182 HydrophobicContact CB-CE 4.2Å; A179-M182 VanDerWaalsContact O-CB 3.23Å; A179-M182 WeakPolarHBondContact O-CB 3.44Å; A179-M182 PolarHBondContact O-N 3.12Å; A179-M182 VanDerWaalsContact O-N 3.17Å; M182-R188 CarbonylContact O-C 3.6Å; M182-R188 WeakPolarHBondContact O-CA 3.48Å; M182-I189 HydrophobicContact CB-CD1 4.22Å; M182-I189 HydrophobicContact CB-CG1 4Å; M182-I189 PolarHBondContact O-N 3.29Å; M182-I189 HydrophobicContact SD-CD1 4.41Å | ||
| 183 | E | 88.7 | Confident | 89.4 | Confident | 138 Ų | 138 | 67.8 Ų | 67.8 | 65% | 0.645 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 130.7 | 172.3 | -76.4 | 177.7 | 178.6 | 0 | 0 | 111.9 | R187 R188 | E183-R187 WeakPolarHBondContact CA-O 3.48Å; E183-R188 HydrophobicContact CG-CB 4.5Å; E183-R188 HydrophobicContact CG-CG 3.6Å; E183-R188 WeakPolarHBondContact OE1-CD 3.49Å; E183-R188 VanDerWaalsContact OE1-CG 3.26Å; E183-R188 WeakPolarHBondContact OE1-CG 3.45Å |
| 184 | L | 85.4 | Confident | 88.9 | Confident | 17 Ų | 17 | 63.5 Ų | 63.5 | 9% | 0.089 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 127.8 | 178.6 | -167.6 | 74.9 | 0 | 0 | 0 | 107.8 | L125 T129 L134 V137 G186 R187 I189 | L125-L184 HydrophobicContact CD2-CD2 3.88Å; T129-L184 HydrophobicContact CG2-CD2 3.55Å; T129-L184 HydrophobicContact CG2-CG 4.45Å; L134-L184 HydrophobicContact CD2-CD2 4.06Å; V137-L184 HydrophobicContact CG2-CD1 3.84Å; L184-G186 PolarHBondContact O-N 2.97Å; L184-G186 VanDerWaalsContact O-N 3.11Å; L184-R187 PolarHBondContact N-O 3.37Å; L184-R187 PolarHBondContact O-N 3.26Å; L184-I189 HydrophobicContact CB-CG2 3.75Å; L184-I189 HydrophobicContact CD2-CG2 4.34Å |
| 185 | D | 84.4 | Confident | 87.9 | Confident | 87 Ų | 87 | 63 Ų | 63 | 47% | 0.465 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.6 | 36.7 | -177.8 | -57.8 | -32.3 | 0 | 0 | 0 | 114.1 | S126 T129 R187 | S126-D185 WeakPolarHBondContact CB-OD2 3.44Å; T129-D185 WeakPolarHBondContact CA-OD2 3.46Å; T129-D185 WeakPolarHBondContact CB-OD2 3.29Å; T129-D185 PolarHBondContact N-OD2 3.47Å; T129-D185 PolarHBondContact OG1-OD2 2.87Å; D185-R187 VanDerWaalsContact C-N 3.34Å; D185-R187 PolarHBondContact O-N 3.28Å |
| 186 | G | 85 | Confident | 86.7 | Confident | 76 Ų | 76 | 65 Ų | 65 | 78% | 0.784 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.4 | 20.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115 | L184 | L184-G186 PolarHBondContact O-N 2.97Å; L184-G186 VanDerWaalsContact O-N 3.11Å |
| 187 | R | 88.5 | Confident | 85.6 | Confident | 100 Ų | 100 | 69.6 Ų | 69.6 | 38% | 0.377 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 138.6 | 176.7 | -60.8 | -174.5 | -176 | -176.6 | -1.4 | 112 | G124 L125 E183 L184 D185 I189 | G124-R187 WeakPolarHBondContact O-CB 3.26Å; L125-R187 PolarHBondContact O-NH1 3.46Å; E183-R187 WeakPolarHBondContact CA-O 3.48Å; L184-R187 PolarHBondContact N-O 3.37Å; L184-R187 PolarHBondContact O-N 3.26Å; D185-R187 VanDerWaalsContact C-N 3.34Å; D185-R187 PolarHBondContact O-N 3.28Å; R187-I189 PolarHBondContact O-N 3.12Å |
| 188 | R | 91 | Very high | 84.3 | Confident | 169 Ų | 169 | 72.4 Ų | 72.4 | 64% | 0.638 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 113.4 | 174.1 | -61.6 | -161.2 | 69.2 | -168.1 | 1.9 | 110.6 | G181 M182 E183 | G181-R188 PolarHBondContact O-NE 2.98Å; G181-R188 VanDerWaalsContact O-NE 3.12Å; G181-R188 PolarHBondContact O-NH2 3.27Å; M182-R188 CarbonylContact O-C 3.6Å; M182-R188 WeakPolarHBondContact O-CA 3.48Å; E183-R188 HydrophobicContact CG-CB 4.5Å; E183-R188 HydrophobicContact CG-CG 3.6Å; E183-R188 WeakPolarHBondContact OE1-CD 3.49Å; E183-R188 VanDerWaalsContact OE1-CG 3.26Å; E183-R188 WeakPolarHBondContact OE1-CG 3.45Å |
| 189 | I | 92.8 | Very high | 82.9 | Confident | 3 Ų | 3 | 69.5 Ų | 69.5 | 2% | 0.015 | 35% | 0.345 | C | S | . | . | trans | -82.2 | 147.1 | 177.2 | 72.5 | 172.4 | 0 | 0 | 0 | 110.6 | V122 F123 L125 F138 A179 G181 M182 L184 R187 V191 | V122-I189 HydrophobicContact CG1-CB 4.27Å; V122-I189 HydrophobicContact CG1-CD1 4.14Å; F123-I189 CarbonylContact O-C 3.58Å; F123-I189 WeakPolarHBondContact O-CA 3.4Å; L125-I189 HydrophobicContact CD2-CG2 3.81Å; F138-I189 HydrophobicContact CZ-CD1 4.26Å; A179-I189 WeakPolarHBondContact O-CG1 3.45Å; G181-I189 VanDerWaalsContact CA-O 3.29Å; G181-I189 WeakPolarHBondContact CA-O 3.04Å; G181-I189 PolarHBondContact N-O 2.72Å; M182-I189 HydrophobicContact CB-CD1 4.22Å; M182-I189 HydrophobicContact CB-CG1 4Å; M182-I189 PolarHBondContact O-N 3.29Å; M182-I189 HydrophobicContact SD-CD1 4.41Å; L184-I189 HydrophobicContact CB-CG2 3.75Å; L184-I189 HydrophobicContact CD2-CG2 4.34Å; R187-I189 PolarHBondContact O-N 3.12Å; I189-V191 HydrophobicContact CD1-CG2 4.27Å; I189-V191 HydrophobicContact CG1-CG2 4.47Å | ||
| 190 | R | 91.2 | Very high | 81.7 | Confident | 137 Ų | 137 | 73.1 Ų | 73.1 | 52% | 0.517 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 133.2 | 173.5 | 168.3 | -178.7 | 165.7 | 144.4 | 8.2 | 108.5 | F123 N180 D192 | F123-R190 HydrophobicContact CB-CB 4.41Å; F123-R190 PolarHBondContact N-O 2.81Å; F123-R190 PolarHBondContact O-N 2.63Å; N180-R190 WeakPolarHBondContact OD1-CA 3.17Å; R190-D192 IonicContact CZ-OD2 3.53Å; R190-D192 IonicContact NE-OD2 2.65Å; R190-D192 PolarHBondContact NE-OD2 2.84Å; R190-D192 IonicContact NH2-OD1 3.14Å; R190-D192 IonicContact NH2-OD2 3.41Å; R190-D192 PolarHBondContact NH2-OD2 3.35Å |
| 191 | V | 92.1 | Very high | 80.3 | Confident | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 123 | -177.3 | -172.3 | 0 | 0 | 0 | 0 | 109.9 | L120 V122 F138 K176 A179 N180 I189 | L120-V191 HydrophobicContact CB-CG1 4Å; L120-V191 HydrophobicContact CD1-CG1 3.71Å; L120-V191 HydrophobicContact CG-CG1 4.3Å; V122-V191 HydrophobicContact CG1-CG2 4.33Å; V122-V191 HydrophobicContact CG2-CG2 4.46Å; F138-V191 HydrophobicContact CE1-CG2 4.41Å; F138-V191 HydrophobicContact CZ-CG2 4.05Å; K176-V191 HydrophobicContact CB-CG1 4.31Å; K176-V191 HydrophobicContact CG-CG1 4.32Å; A179-V191 HydrophobicContact CB-CG2 4.05Å; N180-V191 HydrophobicContact CB-CB 4.22Å; N180-V191 PolarHBondContact OD1-N 2.9Å; N180-V191 VanDerWaalsContact OD1-N 3.16Å; I189-V191 HydrophobicContact CD1-CG2 4.27Å; I189-V191 HydrophobicContact CG1-CG2 4.47Å |
| 192 | D | 90.2 | Very high | 79.1 | Confident | 28 Ų | 28 | 79.1 Ų | 79.1 | 15% | 0.15 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 153.9 | 176.6 | -77.7 | -58.9 | 0 | 0 | 0 | 110.7 | L120 G121 F123 R190 | L120-D192 CarbonylContact C-O 3.06Å; L120-D192 WeakPolarHBondContact CA-O 3.4Å; G121-D192 PolarHBondContact N-O 2.88Å; G121-D192 PolarHBondContact O-N 2.84Å; F123-D192 HydrophobicContact CE2-CB 4.36Å; R190-D192 IonicContact CZ-OD2 3.53Å; R190-D192 IonicContact NE-OD2 2.65Å; R190-D192 PolarHBondContact NE-OD2 2.84Å; R190-D192 IonicContact NH2-OD1 3.14Å; R190-D192 IonicContact NH2-OD2 3.41Å; R190-D192 PolarHBondContact NH2-OD2 3.35Å |
| 193 | F | 88 | Confident | 77.6 | Confident | 21 Ų | 21 | 81.9 Ų | 81.9 | 9% | 0.092 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 138.1 | 165.8 | -69.2 | -56.6 | 0 | 0 | 0 | 110.3 | P114 P116 N117 L120 K173 K176 | P114-F193 HydrophobicContact CG-CB 3.91Å; P114-F193 WeakPolarHBondContact CG-O 3.44Å; P116-F193 HydrophobicContact CB-CD2 4.41Å; P116-F193 HydrophobicContact CB-CE1 4.13Å; P116-F193 HydrophobicContact CB-CE2 3.89Å; P116-F193 HydrophobicContact CB-CZ 3.74Å; N117-F193 WeakPolarHBondContact OD1-CB 3.46Å; L120-F193 HydrophobicContact CD2-CD1 3.52Å; L120-F193 HydrophobicContact CD2-CE1 3.82Å; L120-F193 HydrophobicContact CD2-CG 4.47Å; K173-F193 HydrophobicContact CB-CZ 4.06Å; K173-F193 HydrophobicContact CG-CZ 4.23Å; K176-F193 HydrophobicContact CD-CD2 3.84Å; K176-F193 HydrophobicContact CD-CE1 4.37Å; K176-F193 HydrophobicContact CD-CE2 3.62Å; K176-F193 HydrophobicContact CD-CG 4.29Å; K176-F193 HydrophobicContact CD-CZ 3.89Å |
| 194 | S | 80.9 | Confident | 76 | Confident | 10 Ų | 10 | 78.5 Ų | 78.5 | 7% | 0.07 | 41% | 0.408 | C | S | . | . | trans | -75 | 138.3 | 179 | -175.4 | 0 | 0 | 0 | 0 | 111.2 | N117 C119 T196 | N117-S194 PolarHBondContact ND2-O 3.36Å; C119-S194 VanDerWaalsContact O-CB 3.24Å; C119-S194 WeakPolarHBondContact O-CB 3.3Å; C119-S194 PolarHBondContact O-N 3.09Å; C119-S194 WeakPolarHBondContact SG-CB 3.11Å; S194-T196 PolarHBondContact O-N 2.88Å; S194-T196 VanDerWaalsContact O-N 3.15Å; S194-T196 PolarHBondContact OG-N 3.01Å; S194-T196 PolarHBondContact OG-OG1 3.37Å | ||
| 195 | I | 70.7 | Confident | 74.7 | Confident | 58 Ų | 58 | 80 Ų | 80 | 30% | 0.297 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -65.4 | -16.5 | 176.3 | -63.3 | 178.5 | 0 | 0 | 0 | 111.6 | H107 R111 P114 | H107-I195 HydrophobicContact CB-CG2 3.99Å; H107-I195 VanDerWaalsContact CE1-CG2 3.5Å; H107-I195 WeakPolarHBondContact CE1-CG2 3.29Å; H107-I195 PolarHBondContact CE1-O 2.9Å; H107-I195 VanDerWaalsContact CG-CG2 3.42Å; H107-I195 WeakPolarHBondContact ND1-CG2 3.4Å; R111-I195 HydrophobicContact CG-CD1 4.36Å; P114-I195 HydrophobicContact CB-CG1 4.18Å; P114-I195 HydrophobicContact CG-CG1 4.08Å |
| 196 | T | 67.9 | Low | 73.6 | Confident | 42 Ų | 42 | 81.9 Ų | 81.9 | 26% | 0.258 | 44% | 0.436 | S | S | . | . | trans | -113.3 | 117 | 179.8 | 47.4 | 0 | 0 | 0 | 0 | 112.6 | S194 R198 H200 | S194-T196 PolarHBondContact O-N 2.88Å; S194-T196 VanDerWaalsContact O-N 3.15Å; S194-T196 PolarHBondContact OG-N 3.01Å; S194-T196 PolarHBondContact OG-OG1 3.37Å; T196-R198 PolarHBondContact O-N 2.82Å; T196-H200 PolarHBondContact OG1-CE1 3.49Å; T196-H200 PolarHBondContact OG1-NE2 3.44Å; T196-H200 VanDerWaalsContact OG1-NE2 3.15Å | ||
| 197 | K | 66.6 | Low | 72.3 | Confident | 133 Ų | 133 | 87.1 Ų | 87.1 | 58% | 0.578 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -75 | 31.1 | 172.5 | -51.7 | -171.1 | -176.6 | -172.2 | 0 | 113.9 | D115 N117 | D115-K197 IonicContact OD2-NZ 3.64Å; D115-K197 PolarHBondContact OD2-NZ 2.83Å; N117-K197 HydrophobicContact CB-CG 4.39Å |
| 198 | R | 62.9 | Low | 71 | Confident | 192 Ų | 192 | 88.1 Ų | 88.1 | 73% | 0.725 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -142.5 | 151.1 | 179 | -74.9 | 87.4 | 159.5 | -150.3 | -4.6 | 109.4 | T196 H200 | T196-R198 PolarHBondContact O-N 2.82Å; R198-H200 PolarHBondContact O-N 2.98Å |
| 199 | P | 61.4 | Low | 69.5 | Low | 94 Ų | 94 | 81.2 Ų | 81.2 | 61% | 0.61 | 43% | 0.425 | S | S | * | . | trans | -54.2 | 132.9 | 165.9 | 24.6 | -33.8 | 0 | 0 | 0 | 110.2 | Y165 T201 | Y165-P199 HydrophobicContact CE1-CB 4.3Å; Y165-P199 WeakPolarHBondContact OH-CA 3.4Å; P199-T201 PolarHBondContact O-N 3.03Å; P199-T201 VanDerWaalsContact O-N 3.11Å | ||
| 200 | H | 63.1 | Low | 67.5 | Low | 75 Ų | 75 | 90.1 Ų | 90.1 | 35% | 0.347 | 46% | 0.459 | S | S | . | . | trans | -65.6 | 112.7 | 178.7 | -80.3 | -69.9 | 0 | 0 | 0 | 110.1 | F163 Y165 T196 R198 P202 | F163-H200 AromaticContact CD1-CD2 3.85Å; F163-H200 AromaticContact CD1-NE2 3.91Å; F163-H200 AromaticContact CD2-CD2 3.51Å; F163-H200 AromaticContact CE1-CD2 3.71Å; F163-H200 AromaticContact CE1-NE2 3.39Å; F163-H200 WeakPolarHBondContact CE1-NE2 3.38Å; F163-H200 AromaticContact CE2-CD2 3.34Å; F163-H200 WeakPolarHBondContact CE2-CD2 3.45Å; F163-H200 AromaticContact CE2-NE2 3.7Å; F163-H200 AromaticContact CG-CD2 3.75Å; F163-H200 AromaticContact CZ-CD2 3.46Å; F163-H200 VanDerWaalsContact CZ-CD2 3.46Å; F163-H200 WeakPolarHBondContact CZ-CD2 3.1Å; F163-H200 AromaticContact CZ-NE2 3.27Å; F163-H200 VanDerWaalsContact CZ-NE2 3.27Å; F163-H200 WeakPolarHBondContact CZ-NE2 3.23Å; Y165-H200 PolarHBondContact OH-N 3.07Å; T196-H200 PolarHBondContact OG1-CE1 3.49Å; T196-H200 PolarHBondContact OG1-NE2 3.44Å; T196-H200 VanDerWaalsContact OG1-NE2 3.15Å; R198-H200 PolarHBondContact O-N 2.98Å; H200-P202 VanDerWaalsContact O-N 3.12Å | ||
| 201 | T | 60.3 | Low | 65.8 | Low | 123 Ų | 123 | 87.3 Ų | 87.3 | 76% | 0.755 | 46% | 0.458 | S | S | * | . | trans | -50.4 | 122.4 | 161.6 | -46.5 | 0 | 0 | 0 | 0 | 107.5 | P199 T203 | P199-T201 PolarHBondContact O-N 3.03Å; P199-T201 VanDerWaalsContact O-N 3.11Å; T201-T203 PolarHBondContact O-N 2.92Å | ||
| 202 | P | 60 | Low | 63.9 | Low | 112 Ų | 112 | 93.8 Ų | 93.8 | 73% | 0.727 | 50% | 0.498 | S | S | * | . | trans | -57 | 120.8 | -173.5 | 21.5 | -33 | 0 | 0 | 0 | 108.2 | H200 P204 | H200-P202 VanDerWaalsContact O-N 3.12Å; P202-P204 VanDerWaalsContact O-CD 3.22Å; P202-P204 WeakPolarHBondContact O-CD 3.47Å | ||
| 203 | T | 59.5 | Low | 61.8 | Low | 104 Ų | 104 | 101 Ų | 101 | 64% | 0.638 | 53% | 0.525 | S | S | * | . | trans | -60.7 | 115.3 | -178.4 | 51.1 | 0 | 0 | 0 | 0 | 107.4 | T201 G205 | T201-T203 PolarHBondContact O-N 2.92Å; T203-G205 PolarHBondContact O-N 3.37Å; T203-G205 VanDerWaalsContact O-N 3.14Å | ||
| 204 | P | 53.1 | Low | 59.8 | Low | 67 Ų | 67 | 102.9 Ų | 102.9 | 44% | 0.435 | 55% | 0.55 | S | S | . | . | trans | -58.7 | 126.8 | 178.2 | 23.8 | -31.9 | 0 | 0 | 0 | 106.9 | P202 I206 M208 | P202-P204 VanDerWaalsContact O-CD 3.22Å; P202-P204 WeakPolarHBondContact O-CD 3.47Å; P204-I206 CarbonylContact O-C 3.53Å; P204-I206 PolarHBondContact O-N 3.33Å; P204-I206 VanDerWaalsContact O-O 3.07Å; P204-M208 HydrophobicContact CG-CE 3.63Å; P204-M208 HydrophobicContact CG-SD 4.1Å | ||
| 205 | G | 58.7 | Low | 58.2 | Low | 48 Ų | 48 | 106.8 Ų | 106.8 | 50% | 0.495 | 58% | 0.577 | S | S | . | * | S | Bend | trans | -65.8 | 2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | T203 Y207 | T203-G205 PolarHBondContact O-N 3.37Å; T203-G205 VanDerWaalsContact O-N 3.14Å; G205-Y207 PolarHBondContact O-N 2.95Å |
| 206 | I | 60.9 | Low | 56.9 | Low | 127 Ų | 127 | 109.2 Ų | 109.2 | 65% | 0.651 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -72.6 | 115 | 163.5 | -54.3 | 172.2 | 0 | 0 | 0 | 108.3 | P204 M208 | P204-I206 CarbonylContact O-C 3.53Å; P204-I206 PolarHBondContact O-N 3.33Å; P204-I206 VanDerWaalsContact O-O 3.07Å; I206-M208 PolarHBondContact O-N 2.85Å |
| 207 | Y | 59.5 | Low | 55.8 | Low | 187 Ų | 187 | 118.4 Ų | 118.4 | 73% | 0.733 | 63% | 0.629 | S | S | * | * | trans | -61.5 | 97 | 172.7 | 175.7 | -102.3 | 0 | 0 | 0 | 111 | G205 G209 | G205-Y207 PolarHBondContact O-N 2.95Å; Y207-G209 VanDerWaalsContact CE1-CA 3.43Å; Y207-G209 PolarHBondContact O-N 2.96Å | ||
| 208 | M | 59.8 | Low | 54.6 | Low | 120 Ų | 120 | 123.9 Ų | 123.9 | 59% | 0.591 | 65% | 0.646 | S | S | * | * | trans | -67.4 | 13.8 | 178.1 | -66.7 | 178.6 | 149 | 0 | 0 | 114.7 | M101 P204 I206 | M101-M208 HydrophobicContact CE-CB 3.83Å; M101-M208 HydrophobicContact CE-SD 4.42Å; P204-M208 HydrophobicContact CG-CE 3.63Å; P204-M208 HydrophobicContact CG-SD 4.1Å; I206-M208 PolarHBondContact O-N 2.85Å | ||
| 209 | G | 60.6 | Low | 53.6 | Low | 24 Ų | 24 | 124.8 Ų | 124.8 | 25% | 0.247 | 65% | 0.649 | C | S | . | * | S | Bend | trans | -76.3 | -173.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y207 P211 | Y207-G209 VanDerWaalsContact CE1-CA 3.43Å; Y207-G209 PolarHBondContact O-N 2.96Å; G209-P211 WeakPolarHBondContact O-CD 3.39Å |
| 210 | R | 50.3 | Low | 52.5 | Low | 191 Ų | 191 | 126.7 Ų | 126.7 | 72% | 0.721 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -61.9 | 120.4 | -178.4 | -163.7 | 178.4 | -162 | -86.2 | 0.8 | 109.7 | T212 | R210-T212 PolarHBondContact O-N 3.48Å; R210-T212 VanDerWaalsContact O-N 3.11Å |
| 211 | P | 54.9 | Low | 51.4 | Low | 77 Ų | 77 | 133.1 Ų | 133.1 | 50% | 0.5 | 68% | 0.677 | S | S | . | * | trans | -57.9 | 117.7 | -175.2 | -28.5 | 36.3 | 0 | 0 | 0 | 112.4 | G209 Y213 | G209-P211 WeakPolarHBondContact O-CD 3.39Å; P211-Y213 HydrophobicContact CB-CE1 4.31Å; P211-Y213 PolarHBondContact O-N 2.81Å | ||
| 212 | T | 52.8 | Low | 50.4 | Low | 136 Ų | 136 | 138.1 Ų | 138.1 | 83% | 0.834 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -84.1 | 23.4 | 177.5 | 44.9 | 0 | 0 | 0 | 0 | 112.7 | R210 | R210-T212 PolarHBondContact O-N 3.48Å; R210-T212 VanDerWaalsContact O-N 3.11Å |
| 213 | Y | 46.5 | Very low | 49.6 | Very low | 181 Ų | 181 | 140.5 Ų | 140.5 | 71% | 0.71 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -139.1 | 139.1 | 172.1 | 54.8 | -84 | 0 | 0 | 0 | 109.2 | P211 | P211-Y213 HydrophobicContact CB-CE1 4.31Å; P211-Y213 PolarHBondContact O-N 2.81Å |
| 214 | G | 46.5 | Very low | 48.9 | Very low | 60 Ų | 60 | 147.5 Ų | 147.5 | 62% | 0.619 | 71% | 0.705 | S | S | * | * | S | Bend | trans | 95.4 | -24.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | S216 R217 | G214-S216 PolarHBondContact O-N 3.44Å; G214-R217 PolarHBondContact O-N 3.15Å |
| 215 | S | 46.5 | Very low | 48.2 | Very low | 92 Ų | 92 | 146.4 Ų | 146.4 | 64% | 0.643 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | 18.1 | -178.3 | -169.9 | 0 | 0 | 0 | 0 | 115.7 | ||
| 216 | S | 44 | Very low | 47 | Very low | 109 Ų | 109 | 155.7 Ų | 155.7 | 76% | 0.762 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.7 | 12.4 | -179.4 | -167.1 | 0 | 0 | 0 | 0 | 113.9 | G214 | G214-S216 PolarHBondContact O-N 3.44Š|
| 217 | R | 43.7 | Very low | 46 | Very low | 234 Ų | 234 | 157.1 Ų | 157.1 | 88% | 0.883 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -137.2 | 21.8 | 174.5 | -67.1 | -168.7 | -179 | -178.1 | 1.1 | 114.4 | G214 | G214-R217 PolarHBondContact O-N 3.15Š|
| 218 | R | 42.1 | Very low | 45.1 | Very low | 248 Ų | 248 | 160.2 Ų | 160.2 | 94% | 0.936 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -131.4 | 25.2 | 170.2 | -86.5 | -73.3 | -170.9 | 149.7 | 2.2 | 111.7 | ||
| 219 | R | 41.7 | Very low | 44 | Very low | 212 Ų | 212 | 157.3 Ų | 157.3 | 80% | 0.8 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -104.5 | 157.1 | 155 | -162.8 | 175.8 | -165.3 | 168.7 | 3.9 | 105.9 | ||
| 220 | D | 38.6 | Very low | 42.7 | Very low | 133 Ų | 133 | 167 Ų | 167 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | S | Bend | trans | 73.7 | 137.3 | -174.8 | -44.6 | -49.7 | 0 | 0 | 0 | 113.6 | ||
| 221 | Y | 40.1 | Very low | 42.1 | Very low | 210 Ų | 210 | 165.8 Ų | 165.8 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | S | Bend | trans | 66.9 | 133.1 | -166.1 | -61.2 | -92.3 | 0 | 0 | 0 | 115.8 | ||
| 222 | Y | 38.3 | Very low | 41.3 | Very low | 229 Ų | 229 | 169.1 Ų | 169.1 | 90% | 0.898 | 80% | 0.8 | S | S | * | * | S | Bend | trans | 69.4 | 21.3 | 177.7 | -47.2 | -69.4 | 0 | 0 | 0 | 118.9 | ||
| 223 | D | 42.9 | Very low | 40.6 | Very low | 161 Ų | 161 | 173.9 Ų | 173.9 | 86% | 0.861 | 80% | 0.803 | S | S | * | * | trans | -135.6 | 63.3 | 152 | -164.9 | -130.9 | 0 | 0 | 0 | 110.1 | ||||
| 224 | R | 45 | Very low | 40.2 | Very low | 251 Ų | 251 | 171.5 Ų | 171.5 | 95% | 0.947 | 80% | 0.803 | S | S | * | * | trans | -142.4 | 43.3 | 176.3 | -156.7 | -178.3 | -167.3 | 165.8 | 5.4 | 111 | ||||
| 225 | G | 38.8 | Very low | 39.7 | Very low | 45 Ų | 45 | 177.4 Ų | 177.4 | 46% | 0.464 | 81% | 0.808 | S | S | . | * | S | Bend | trans | -122.5 | 125.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | D227 | G225-D227 PolarHBondContact O-N 3.45Š|
| 226 | Y | 32.9 | Very low | 39.2 | Very low | 242 Ų | 242 | 184 Ų | 184 | 95% | 0.949 | 82% | 0.82 | S | S | * | * | S | Bend | trans | 65.7 | 38 | 152.1 | -42.4 | -69.4 | 0 | 0 | 0 | 119.7 | ||
| 227 | D | 41.6 | Very low | 38.8 | Very low | 158 Ų | 158 | 183.2 Ų | 183.2 | 85% | 0.845 | 82% | 0.815 | S | S | * | * | trans | -149.6 | 74.2 | 146.7 | -159.4 | -123.9 | 0 | 0 | 0 | 113.9 | G225 | G225-D227 PolarHBondContact O-N 3.45Š| ||
| 228 | R | 40.3 | Very low | 38.7 | Very low | 251 Ų | 251 | 182.5 Ų | 182.5 | 95% | 0.947 | 81% | 0.812 | S | S | * | * | trans | -158.8 | 42 | 157.8 | -142.7 | 168.9 | -172.3 | 156.7 | 3.4 | 114.1 | ||||
| 229 | G | 36 | Very low | 38.4 | Very low | 60 Ų | 60 | 174.7 Ų | 174.7 | 62% | 0.619 | 80% | 0.795 | S | S | * | * | trans | -89 | 107.6 | 172 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 230 | Y | 33.9 | Very low | 38.4 | Very low | 227 Ų | 227 | 175.3 Ų | 175.3 | 89% | 0.89 | 80% | 0.799 | S | S | * | * | S | Bend | trans | 54.1 | 82.3 | 158.9 | -46.1 | -78.8 | 0 | 0 | 0 | 118.2 | ||
| 231 | D | 36.9 | Very low | 38.5 | Very low | 166 Ų | 166 | 176.8 Ų | 176.8 | 89% | 0.888 | 80% | 0.795 | S | S | * | * | trans | -156.6 | 77.5 | 138.8 | -111.7 | -32.7 | 0 | 0 | 0 | 111.7 | ||||
| 232 | D | 38.8 | Very low | 38.4 | Very low | 146 Ų | 146 | 170.5 Ų | 170.5 | 78% | 0.781 | 79% | 0.794 | S | S | * | * | trans | -132.8 | 75.7 | 159.5 | -160.5 | -57.2 | 0 | 0 | 0 | 107 | ||||
| 233 | R | 37.4 | Very low | 38.3 | Very low | 237 Ų | 237 | 163.8 Ų | 163.8 | 89% | 0.894 | 79% | 0.794 | S | S | * | * | trans | -122.5 | 59.8 | 168 | -94.3 | -160.4 | 177.1 | -161.8 | 3.7 | 109.6 | ||||
| 234 | D | 37.7 | Very low | 38 | Very low | 131 Ų | 131 | 159.9 Ų | 159.9 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | trans | -56 | 161.5 | 158.9 | -110.5 | -44.4 | 0 | 0 | 0 | 111 | ||||
| 235 | Y | 37.1 | Very low | 37.4 | Very low | 184 Ų | 184 | 152.1 Ų | 152.1 | 72% | 0.722 | 79% | 0.791 | S | S | * | * | trans | 66.6 | 55.1 | 178.4 | -74.8 | -83.1 | 0 | 0 | 0 | 118.3 | S237 | Y235-S237 PolarHBondContact O-N 3.18Š| ||
| 236 | Y | 34.6 | Very low | 37.1 | Very low | 230 Ų | 230 | 153.8 Ų | 153.8 | 90% | 0.902 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -70.9 | 60.3 | 143.9 | -151.8 | -76 | 0 | 0 | 0 | 111.3 | ||
| 237 | S | 37.2 | Very low | 37.1 | Very low | 93 Ų | 93 | 146.2 Ų | 146.2 | 65% | 0.65 | 80% | 0.803 | S | S | * | * | trans | 174 | 82 | 159.1 | -84.5 | 0 | 0 | 0 | 0 | 113.2 | Y235 | Y235-S237 PolarHBondContact O-N 3.18Š| ||
| 238 | R | 40.8 | Very low | 36.7 | Very low | 218 Ų | 218 | 142.3 Ų | 142.3 | 82% | 0.823 | 80% | 0.8 | S | S | * | * | trans | -172.3 | 93.8 | 139 | -105 | 157.7 | -178.7 | 163.2 | 1.4 | 114.2 | ||||
| 239 | S | 36.3 | Very low | 36.1 | Very low | 84 Ų | 84 | 133.1 Ų | 133.1 | 59% | 0.587 | 78% | 0.784 | S | S | * | * | 43.1 | 90.6 | 127.6 | 61.7 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 240 | Y | 41.2 | Very low | 36.1 | Very low | 225 Ų | 225 | 141.3 Ų | 141.3 | 88% | 0.882 | 80% | 0.796 | S | S | * | * | trans | 75.7 | 118 | 139.1 | -44.3 | -60.6 | 0 | 0 | 0 | 122.1 | ||||
| 241 | R | 41.5 | Very low | 36.1 | Very low | 164 Ų | 164 | 141.8 Ų | 141.8 | 62% | 0.619 | 80% | 0.797 | S | S | * | * | 81.6 | 89.1 | 126.9 | -163 | -174.8 | -170.1 | -120.4 | 1 | 120.7 | R62 | R62-R241 VanDerWaalsContact C-NH1 3.34Å; R62-R241 VanDerWaalsContact O-CZ 3.28Å; R62-R241 PolarHBondContact O-NH1 2.82Å; R62-R241 PolarHBondContact O-NH2 2.87Å | |||
| 242 | G | 37.5 | Very low | 36 | Very low | 79 Ų | 79 | 138.8 Ų | 138.8 | 81% | 0.814 | 79% | 0.794 | S | S | * | * | 101.2 | 141.2 | 100.8 | 0 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 243 | G | 36.6 | Very low | 36 | Very low | 87 Ų | 87 | 136 Ų | 136 | 90% | 0.897 | 79% | 0.792 | S | S | * | * | trans | 94.1 | 143.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 244 | G | 35.1 | Very low | 36.2 | Very low | 80 Ų | 80 | 133.1 Ų | 133.1 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | cis | 161.1 | 133.4 | -8.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 245 | G | 34.3 | Very low | 36.1 | Very low | 88 Ų | 88 | 132.1 Ų | 132.1 | 91% | 0.907 | 78% | 0.783 | S | S | * | * | trans | 75.2 | 165.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 246 | G | 31.7 | Very low | 36.1 | Very low | 79 Ų | 79 | 132.9 Ų | 132.9 | 81% | 0.814 | 79% | 0.785 | S | S | * | * | cis | 154.2 | 127.9 | -5.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 247 | G | 33.5 | Very low | 36 | Very low | 83 Ų | 83 | 127.1 Ų | 127.1 | 86% | 0.856 | 77% | 0.769 | S | S | * | * | trans | 80.9 | 154.6 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 248 | G | 31.5 | Very low | 36 | Very low | 76 Ų | 76 | 130.5 Ų | 130.5 | 78% | 0.784 | 78% | 0.775 | S | S | * | * | cis | 92.9 | 126.8 | 7.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 249 | G | 29.3 | Very low | 35.9 | Very low | 59 Ų | 59 | 127 Ų | 127 | 61% | 0.608 | 77% | 0.771 | S | S | * | * | cis | 164.5 | 44.4 | 2.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 250 | W | 35.1 | Very low | 35.6 | Very low | 231 Ų | 231 | 131.4 Ų | 131.4 | 88% | 0.875 | 78% | 0.776 | S | S | * | * | trans | -135.2 | 124 | -171.5 | -44.3 | 101.3 | 0 | 0 | 0 | 108.7 | ||||
| 251 | R | 33.7 | Very low | 35.4 | Very low | 238 Ų | 238 | 130.7 Ų | 130.7 | 90% | 0.898 | 77% | 0.772 | S | S | * | * | 74.4 | 112.9 | 59.1 | -76.6 | -159.4 | 176 | -146.2 | 1.8 | 115.5 | |||||
| 252 | A | 35.9 | Very low | 35.3 | Very low | 102 Ų | 102 | 134.1 Ų | 134.1 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | trans | 87.6 | 155.9 | 145.7 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 253 | A | 38 | Very low | 35.2 | Very low | 88 Ų | 88 | 141.6 Ų | 141.6 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | trans | 65.8 | 136.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 254 | Q | 41.2 | Very low | 35.3 | Very low | 177 Ų | 177 | 142.7 Ų | 142.7 | 83% | 0.827 | 78% | 0.782 | S | S | * | * | cis | 70.1 | 133.8 | 39.1 | -62.5 | -160.7 | -82 | 0 | 0 | 113.6 | ||||
| 255 | D | 36.6 | Very low | 35.8 | Very low | 110 Ų | 110 | 144.9 Ų | 144.9 | 59% | 0.588 | 78% | 0.782 | S | S | * | * | cis | -153.5 | -174 | 1.5 | -139 | -114.8 | 0 | 0 | 0 | 112.7 | ||||
| 256 | R | 36.1 | Very low | 35.9 | Very low | 200 Ų | 200 | 145.1 Ų | 145.1 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | trans | -15.7 | 165 | 152.2 | -76.4 | 176.3 | 174.9 | -112.2 | 12.8 | 119.3 | ||||
| 257 | D | 33.7 | Very low | 36.6 | Very low | 108 Ų | 108 | 147.2 Ų | 147.2 | 58% | 0.578 | 77% | 0.769 | S | S | * | * | cis | -163.5 | -173.1 | 2.7 | -122.4 | -34.4 | 0 | 0 | 0 | 110.1 | ||||
| 258 | Q | 36.4 | Very low | 36.8 | Very low | 165 Ų | 165 | 152 Ų | 152 | 77% | 0.771 | 76% | 0.763 | S | S | * | * | trans | 75.4 | 137.4 | 168.3 | -38.2 | -176.3 | 19.2 | 0 | 0 | 112.3 | ||||
| 259 | I | 38.2 | Very low | 37 | Very low | 145 Ų | 145 | 159 Ų | 159 | 74% | 0.744 | 77% | 0.767 | S | S | * | * | cis | -141.5 | 133.9 | 47.1 | -81.8 | 168.5 | 0 | 0 | 0 | 111.7 | ||||
| 260 | Y | 31.6 | Very low | 37.5 | Very low | 175 Ų | 175 | 162 Ų | 162 | 69% | 0.686 | 78% | 0.779 | S | S | * | * | trans | 24.3 | 137.5 | 148.4 | -70.8 | -85.1 | 0 | 0 | 0 | 122.8 | ||||
| 261 | R | 35.5 | Very low | 37.8 | Very low | 211 Ų | 211 | 162.6 Ų | 162.6 | 80% | 0.796 | 78% | 0.781 | S | S | * | * | trans | 61.8 | 92.8 | 143.6 | -59.9 | 163 | -168.1 | -140.4 | 4.8 | 116.8 | ||||
| 262 | R | 39.6 | Very low | 37.8 | Very low | 235 Ų | 235 | 154.2 Ų | 154.2 | 89% | 0.887 | 77% | 0.768 | S | S | * | * | 179 | 128.2 | 93.7 | -92 | 165.4 | -160.3 | -86.9 | 4.1 | 112.4 | |||||
| 263 | R | 35.9 | Very low | 37.9 | Very low | 237 Ų | 237 | 152.7 Ų | 152.7 | 89% | 0.894 | 76% | 0.762 | S | S | * | * | trans | 29.5 | 95.9 | 137.8 | -161.5 | 176.2 | -159.4 | 158.4 | 5.2 | 115.7 | ||||
| 264 | S | 39.3 | Very low | 37.7 | Very low | 110 Ų | 110 | 158.5 Ų | 158.5 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | trans | -44.6 | 124.4 | 171.9 | -50.9 | 0 | 0 | 0 | 0 | 111.3 | S266 | S264-S266 PolarHBondContact O-N 2.74Š| ||
| 265 | P | 44.5 | Very low | 37.7 | Very low | 125 Ų | 125 | 159.9 Ų | 159.9 | 81% | 0.812 | 77% | 0.765 | S | S | * | * | trans | -60.9 | 130.7 | -177.4 | -26.7 | 35.5 | 0 | 0 | 0 | 112.6 | ||||
| 266 | S | 37.3 | Very low | 37.7 | Very low | 94 Ų | 94 | 160.4 Ų | 160.4 | 66% | 0.657 | 78% | 0.777 | S | S | * | * | trans | -60.6 | 137.8 | 169.6 | -57.5 | 0 | 0 | 0 | 0 | 110 | S264 Y268 | S264-S266 PolarHBondContact O-N 2.74Å; S266-Y268 PolarHBondContact O-N 3.41Å | ||
| 267 | P | 45.2 | Very low | 37.8 | Very low | 123 Ų | 123 | 160.8 Ų | 160.8 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -78.8 | 60.6 | -175.6 | 33.1 | -37.2 | 0 | 0 | 0 | 112.8 | ||
| 268 | Y | 38.8 | Very low | 38 | Very low | 184 Ų | 184 | 160.9 Ų | 160.9 | 72% | 0.722 | 79% | 0.788 | S | S | * | * | trans | -137.4 | 137.4 | 171.2 | -64.9 | -76.6 | 0 | 0 | 0 | 109.9 | S266 | S266-Y268 PolarHBondContact O-N 3.41Š| ||
| 269 | Y | 34.8 | Very low | 38.3 | Very low | 223 Ų | 223 | 164.3 Ų | 164.3 | 88% | 0.875 | 79% | 0.793 | S | S | * | * | trans | 72.2 | 82.9 | 175.4 | -54.9 | -76.1 | 0 | 0 | 0 | 119.5 | ||||
| 270 | S | 40.4 | Very low | 38.5 | Very low | 122 Ų | 122 | 162.6 Ų | 162.6 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | trans | -126.7 | 101.7 | 133.9 | -67.4 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 271 | R | 41 | Very low | 39.2 | Very low | 243 Ų | 243 | 166.1 Ų | 166.1 | 92% | 0.917 | 81% | 0.806 | S | S | * | * | 54.1 | 114.4 | 62.7 | -159.4 | -179.6 | -169.7 | -169 | 3.8 | 112.6 | |||||
| 272 | G | 34.7 | Very low | 39.9 | Very low | 62 Ų | 62 | 161.6 Ų | 161.6 | 64% | 0.639 | 81% | 0.807 | S | S | * | * | trans | 108.4 | 98.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 273 | G | 37.4 | Very low | 40.1 | Very low | 69 Ų | 69 | 160.1 Ų | 160.1 | 71% | 0.711 | 80% | 0.803 | S | S | * | * | trans | 175.1 | 34.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | R275 | G273-R275 PolarHBondContact O-N 2.65Š| ||
| 274 | Y | 34.3 | Very low | 41.1 | Very low | 210 Ų | 210 | 154.2 Ų | 154.2 | 82% | 0.824 | 80% | 0.798 | S | S | * | * | trans | -63.2 | 115.2 | -175.2 | -17.1 | -90.7 | 0 | 0 | 0 | 111.3 | ||||
| 275 | R | 39.5 | Very low | 42.1 | Very low | 207 Ų | 207 | 153.3 Ų | 153.3 | 78% | 0.781 | 79% | 0.789 | S | S | * | * | trans | -154.1 | 75.2 | 163.5 | -121.9 | 172.8 | -169.2 | -169.2 | 3.2 | 112.6 | G273 R277 | G273-R275 PolarHBondContact O-N 2.65Å; R275-R277 PolarHBondContact O-N 3.44Å; R275-R277 VanDerWaalsContact O-N 3.07Å | ||
| 276 | S | 37.1 | Very low | 42.5 | Very low | 121 Ų | 121 | 159 Ų | 159 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | trans | -50.8 | 112.9 | 164.6 | -48.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 277 | R | 39.7 | Very low | 43.4 | Very low | 207 Ų | 207 | 166 Ų | 166 | 78% | 0.781 | 81% | 0.806 | S | S | * | * | trans | -126.1 | 78.6 | 175.3 | -91 | -171.6 | 162.7 | -177.1 | -5.2 | 110.4 | R275 R279 | R275-R277 PolarHBondContact O-N 3.44Å; R275-R277 VanDerWaalsContact O-N 3.07Å; R277-R279 PolarHBondContact O-N 2.78Å | ||
| 278 | S | 37.7 | Very low | 44.2 | Very low | 111 Ų | 111 | 174.9 Ų | 174.9 | 78% | 0.776 | 83% | 0.826 | S | S | * | * | trans | -56.5 | 113 | 167.4 | -42 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 279 | R | 41.4 | Very low | 44.5 | Very low | 237 Ų | 237 | 174.4 Ų | 174.4 | 89% | 0.894 | 83% | 0.831 | S | S | * | * | trans | 179 | 121.2 | 166 | -99.5 | 150.3 | -171.1 | -155 | 2.6 | 107.9 | R277 | R277-R279 PolarHBondContact O-N 2.78Š| ||
| 280 | S | 43.9 | Very low | 45 | Very low | 109 Ų | 109 | 171.8 Ų | 171.8 | 76% | 0.762 | 83% | 0.829 | S | S | * | * | cis | -147.8 | 145.6 | -5 | -63.5 | 0 | 0 | 0 | 0 | 108.9 | S282 | S280-S282 PolarHBondContact O-N 3.31Š| ||
| 281 | R | 44.4 | Very low | 45.2 | Very low | 249 Ų | 249 | 174.6 Ų | 174.6 | 94% | 0.94 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 123 | 163.2 | -83.6 | 179.5 | 166.9 | 167.5 | -6.1 | 108.2 | ||
| 282 | S | 51.4 | Low | 45.5 | Very low | 115 Ų | 115 | 170.6 Ų | 170.6 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 132.4 | 164.4 | 46.2 | 0 | 0 | 0 | 0 | 109.3 | S280 | S280-S282 PolarHBondContact O-N 3.31Š|
| 283 | Y | 42.5 | Very low | 46.2 | Very low | 205 Ų | 205 | 177.4 Ų | 177.4 | 80% | 0.804 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -78 | 124.7 | -172.7 | 176.6 | -96.9 | 0 | 0 | 0 | 111.3 | P285 | Y283-P285 HydrophobicContact CD1-CB 4.46Å; Y283-P285 HydrophobicContact CD1-CG 4.35Å; Y283-P285 HydrophobicContact CE1-CB 3.74Å; Y283-P285 HydrophobicContact CE1-CG 3.96Å |
| 284 | S | 56.9 | Low | 46.7 | Very low | 112 Ų | 112 | 184.6 Ų | 184.6 | 78% | 0.783 | 84% | 0.842 | S | S | * | * | trans | -113.1 | 108.6 | 168.2 | -66.5 | 0 | 0 | 0 | 0 | 108.8 | R286 | S284-R286 PolarHBondContact O-N 2.69Š| ||
| 285 | P | 61.9 | Low | 47.6 | Very low | 91 Ų | 91 | 182.8 Ų | 182.8 | 59% | 0.591 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 123.7 | 175.2 | 29.3 | -30.3 | 0 | 0 | 0 | 110.2 | Y283 | Y283-P285 HydrophobicContact CD1-CB 4.46Å; Y283-P285 HydrophobicContact CD1-CG 4.35Å; Y283-P285 HydrophobicContact CE1-CB 3.74Å; Y283-P285 HydrophobicContact CE1-CG 3.96Å |
| 286 | R | 52.9 | Low | 48.3 | Very low | 246 Ų | 246 | 180.9 Ų | 180.9 | 93% | 0.928 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 139.4 | 148.3 | -76.4 | -173.4 | 168.7 | -135 | -2 | 107.5 | S284 | S284-R286 PolarHBondContact O-N 2.69Š|
| 287 | R | 55.4 | Low | 49.2 | Very low | 240 Ų | 240 | 185.9 Ų | 185.9 | 91% | 0.906 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 171 | 163.2 | -78.8 | -172.6 | 172.2 | -102.9 | 2.6 | 109.3 | ||
| 288 | Y | 62.1 | Low | 50 | Low | 309 Ų | 309 | 184 Ų | 184 | 100% | 1.212 | 86% | 0.855 | S | S | * | * | trans | -45.2 | 0 | 161.2 | -78.8 | -103.3 | 0 | 0 | 0 | 110.6 |
Retrieved 288 of 288 residues in 297.8 ms
(Link to these results)