| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 41.4 | Very low | 50.5 | Low | 237 Ų | 237 | 159.9 Ų | 159.9 | 100% | 1.167 | 87% | 0.866 | S | S | * | * | 0 | 116.7 | 0 | -78.8 | 175.5 | 172.8 | 0 | 0 | 106 | |||||
| 2 | T | 46.2 | Very low | 50 | Low | 126 Ų | 126 | 162.7 Ų | 162.7 | 77% | 0.773 | 87% | 0.869 | S | S | * | * | trans | 64.3 | 82.7 | 160.6 | 46.3 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 3 | D | 46.5 | Very low | 49.3 | Very low | 140 Ų | 140 | 162.3 Ų | 162.3 | 75% | 0.749 | 87% | 0.867 | S | S | * | * | 37 | 107.7 | 116.4 | -50.1 | -49.2 | 0 | 0 | 0 | 120.4 | I5 | D3-I5 HydrophobicContact CB-CD1 4.49Å; D3-I5 HydrophobicContact CB-CG1 4.41Å | |||
| 4 | D | 51.3 | Low | 49 | Very low | 170 Ų | 170 | 163.9 Ų | 163.9 | 91% | 0.909 | 87% | 0.866 | S | S | * | * | trans | -96.2 | 123.4 | 146.3 | -75.8 | -61.8 | 0 | 0 | 0 | 107.6 | ||||
| 5 | I | 65.4 | Low | 48.6 | Very low | 141 Ų | 141 | 168.8 Ų | 168.8 | 72% | 0.723 | 87% | 0.871 | S | S | * | * | trans | -113.6 | 117 | -179.9 | -69.4 | 168.3 | 0 | 0 | 0 | 109.5 | D3 | D3-I5 HydrophobicContact CB-CD1 4.49Å; D3-I5 HydrophobicContact CB-CG1 4.41Å | ||
| 6 | D | 57 | Low | 48.2 | Very low | 156 Ų | 156 | 164.6 Ų | 164.6 | 83% | 0.834 | 87% | 0.868 | S | S | * | * | trans | -69.2 | 122.8 | 170.7 | -69.4 | -55.5 | 0 | 0 | 0 | 111.5 | E8 | D6-E8 PolarHBondContact O-N 2.85Š| ||
| 7 | V | 55.8 | Low | 47.9 | Very low | 148 Ų | 148 | 169.3 Ų | 169.3 | 90% | 0.897 | 87% | 0.872 | S | S | * | * | trans | -95.4 | 71 | 177.2 | -173.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 8 | E | 48.8 | Very low | 47.9 | Very low | 187 Ų | 187 | 170.3 Ų | 170.3 | 87% | 0.874 | 87% | 0.872 | S | S | * | * | trans | -132.7 | 56.3 | 176.3 | -164.1 | 153.9 | -162.8 | 0 | 0 | 110.8 | D6 | D6-E8 PolarHBondContact O-N 2.85Š| ||
| 9 | A | 42.8 | Very low | 47.2 | Very low | 93 Ų | 93 | 164.7 Ų | 164.7 | 77% | 0.769 | 86% | 0.861 | S | S | * | * | trans | -165.4 | 87.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 10 | M | 46.2 | Very low | 47 | Very low | 191 Ų | 191 | 167.4 Ų | 167.4 | 94% | 0.941 | 86% | 0.86 | S | S | * | * | S | Bend | trans | -154.1 | 12.1 | 164.3 | -97.7 | -143.3 | 169.3 | 0 | 0 | 116.9 | ||
| 11 | L | 53.7 | Low | 46.7 | Very low | 170 Ų | 170 | 163.9 Ų | 163.9 | 89% | 0.89 | 85% | 0.851 | S | S | * | * | S | Bend | trans | -141 | 65.4 | 179.7 | -85.3 | 165.4 | 0 | 0 | 0 | 112.4 | ||
| 12 | E | 45 | Very low | 46.7 | Very low | 193 Ų | 193 | 161.7 Ų | 161.7 | 90% | 0.902 | 84% | 0.835 | S | S | * | * | trans | -164.6 | 86.3 | 163.5 | -114.2 | 157.9 | -164.2 | 0 | 0 | 110.2 | ||||
| 13 | D | 41.4 | Very low | 46.3 | Very low | 158 Ų | 158 | 160 Ų | 160 | 85% | 0.845 | 83% | 0.829 | S | S | * | * | trans | -153.8 | 93 | 164.4 | -120.9 | -20.8 | 0 | 0 | 0 | 110 | ||||
| 14 | H | 44.6 | Very low | 46 | Very low | 184 Ų | 184 | 161.3 Ų | 161.3 | 85% | 0.852 | 84% | 0.835 | S | S | * | * | trans | -175.3 | 94.5 | 152.9 | -98.9 | -69 | 0 | 0 | 0 | 106.9 | ||||
| 15 | Y | 43.6 | Very low | 45.5 | Very low | 238 Ų | 238 | 156 Ų | 156 | 93% | 0.933 | 82% | 0.821 | S | S | * | * | trans | 163.5 | 82.9 | 145.8 | -94.3 | -71.6 | 0 | 0 | 0 | 110.1 | ||||
| 16 | A | 42.1 | Very low | 44.4 | Very low | 101 Ų | 101 | 157.3 Ų | 157.3 | 84% | 0.835 | 82% | 0.823 | S | S | * | * | trans | -160.8 | 100.5 | 157.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 17 | R | 41.8 | Very low | 43.7 | Very low | 245 Ų | 245 | 159.8 Ų | 159.8 | 93% | 0.925 | 82% | 0.821 | S | S | * | * | trans | -165.4 | 108.9 | 149.4 | -131.7 | 175.9 | -179.3 | 177.9 | -0 | 110.9 | ||||
| 18 | E | 48.2 | Very low | 42.9 | Very low | 188 Ų | 188 | 164.1 Ų | 164.1 | 88% | 0.879 | 82% | 0.822 | S | S | * | * | 171.2 | 126.7 | 118.3 | -90.4 | -167.9 | 170.6 | 0 | 0 | 109.5 | |||||
| 19 | G | 36 | Very low | 42.3 | Very low | 64 Ų | 64 | 167.3 Ų | 167.3 | 66% | 0.66 | 83% | 0.826 | S | S | * | * | trans | -110.5 | 154.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 20 | Y | 41.9 | Very low | 42 | Very low | 217 Ų | 217 | 166.2 Ų | 166.2 | 85% | 0.851 | 82% | 0.823 | S | S | * | * | trans | -146.3 | 118 | 160.9 | -90.3 | -82.2 | 0 | 0 | 0 | 110.5 | ||||
| 21 | S | 41.8 | Very low | 41.5 | Very low | 95 Ų | 95 | 168.6 Ų | 168.6 | 66% | 0.664 | 82% | 0.822 | S | S | * | * | trans | 23.7 | 146.3 | 138.7 | 63.9 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 22 | K | 40.8 | Very low | 40.6 | Very low | 190 Ų | 190 | 165.9 Ų | 165.9 | 83% | 0.826 | 82% | 0.817 | S | S | * | * | cis | -176.8 | 133.9 | 31.3 | -130.4 | 165.4 | -175.1 | 176.5 | 0 | 110.2 | ||||
| 23 | S | 38.5 | Very low | 40.3 | Very low | 92 Ų | 92 | 168 Ų | 168 | 64% | 0.643 | 82% | 0.817 | S | S | * | * | trans | 38 | 144.4 | 138.4 | 65.8 | 0 | 0 | 0 | 0 | 126.1 | ||||
| 24 | N | 40 | Very low | 40 | Very low | 167 Ų | 167 | 165.7 Ų | 165.7 | 89% | 0.893 | 81% | 0.813 | S | S | * | * | trans | 88.7 | 129.6 | 153.9 | -66.4 | -13.3 | 0 | 0 | 0 | 117.2 | ||||
| 25 | G | 39.9 | Very low | 39.9 | Very low | 59 Ų | 59 | 168.1 Ų | 168.1 | 61% | 0.608 | 82% | 0.815 | S | S | * | * | cis | 163 | 156.7 | 3.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 26 | H | 43.5 | Very low | 39.7 | Very low | 167 Ų | 167 | 164.1 Ų | 164.1 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | trans | 74.3 | 144.4 | 162.9 | -60.6 | -42.6 | 0 | 0 | 0 | 118.2 | ||||
| 27 | R | 41 | Very low | 39.6 | Very low | 209 Ų | 209 | 170.6 Ų | 170.6 | 79% | 0.789 | 81% | 0.813 | S | S | * | * | cis | -167.6 | 133.3 | 1.3 | -109.9 | 164.8 | -167.8 | -179.2 | 1.6 | 109.4 | ||||
| 28 | R | 39.4 | Very low | 39.6 | Very low | 239 Ų | 239 | 163.2 Ų | 163.2 | 90% | 0.902 | 80% | 0.799 | S | S | * | * | trans | 6.7 | 137.4 | 146.1 | -60.1 | -176.2 | 174.3 | -175.3 | -1.6 | 122.4 | ||||
| 29 | R | 37 | Very low | 39.4 | Very low | 254 Ų | 254 | 165 Ų | 165 | 96% | 0.958 | 80% | 0.797 | S | S | * | * | trans | 144 | 122.7 | 130.9 | -85.1 | 174 | 168.7 | 167.1 | -2.8 | 108.4 | ||||
| 30 | G | 35 | Very low | 39.6 | Very low | 70 Ų | 70 | 172.9 Ų | 172.9 | 72% | 0.722 | 81% | 0.807 | S | S | * | * | cis | 103.3 | 93.1 | 26.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 31 | R | 36.5 | Very low | 39.6 | Very low | 240 Ų | 240 | 170.8 Ų | 170.8 | 91% | 0.906 | 80% | 0.804 | S | S | * | * | trans | -177.4 | 117.3 | 147.2 | -109.5 | 169.2 | 178 | 166.9 | 0 | 113.6 | ||||
| 32 | S | 35.1 | Very low | 39.5 | Very low | 114 Ų | 114 | 175 Ų | 175 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | trans | -70.5 | 149.2 | 162.6 | 34.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 33 | R | 39 | Very low | 39.3 | Very low | 237 Ų | 237 | 171.1 Ų | 171.1 | 89% | 0.894 | 81% | 0.808 | S | S | * | * | trans | -162.7 | 108.2 | 154.6 | -110.7 | 167.8 | -174 | 168.3 | 1 | 111.6 | ||||
| 34 | S | 35.2 | Very low | 39.3 | Very low | 110 Ų | 110 | 177.5 Ų | 177.5 | 77% | 0.769 | 82% | 0.818 | S | S | * | * | trans | -66.7 | 148.9 | 161.3 | 43 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 35 | R | 40.8 | Very low | 39.2 | Very low | 235 Ų | 235 | 174.9 Ų | 174.9 | 89% | 0.887 | 81% | 0.812 | S | S | * | * | trans | -161.7 | 103.1 | 156.6 | -116 | 172 | -174.8 | 171.6 | 1.3 | 112 | ||||
| 36 | D | 39.3 | Very low | 39.2 | Very low | 154 Ų | 154 | 183.8 Ų | 183.8 | 82% | 0.824 | 83% | 0.828 | S | S | * | * | trans | -50.4 | 139.4 | 153.5 | -75.8 | -68 | 0 | 0 | 0 | 112 | ||||
| 37 | R | 41.8 | Very low | 39 | Very low | 237 Ų | 237 | 181.1 Ų | 181.1 | 89% | 0.894 | 83% | 0.828 | S | S | * | * | trans | -142.9 | 119.4 | 147.9 | -83.8 | -165.5 | 174.4 | 154.8 | -3.5 | 111 | ||||
| 38 | S | 40.8 | Very low | 39.1 | Very low | 90 Ų | 90 | 180.3 Ų | 180.3 | 63% | 0.629 | 83% | 0.83 | S | S | * | * | trans | -97.2 | 165.7 | -179.4 | 55.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 39 | R | 43.5 | Very low | 39.2 | Very low | 224 Ų | 224 | 175.5 Ų | 175.5 | 85% | 0.845 | 82% | 0.817 | S | S | * | * | trans | 77.9 | 120.9 | 157.1 | -57.1 | 166 | -178.8 | 171.6 | 0 | 117 | ||||
| 40 | R | 39.9 | Very low | 39.3 | Very low | 230 Ų | 230 | 171.6 Ų | 171.6 | 87% | 0.868 | 80% | 0.803 | S | S | * | * | 177.3 | 123.2 | 86.5 | -131.5 | 163.6 | -178.1 | 179.3 | -0.3 | 113.9 | |||||
| 41 | H | 43.1 | Very low | 39.8 | Very low | 173 Ų | 173 | 177.8 Ų | 177.8 | 80% | 0.801 | 80% | 0.804 | S | S | * | * | trans | 9.2 | 139.7 | 146 | -53.9 | -79.1 | 0 | 0 | 0 | 120.8 | ||||
| 42 | K | 40 | Very low | 39.8 | Very low | 185 Ų | 185 | 176.6 Ų | 176.6 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | -173.6 | 120.6 | 97.4 | -149.8 | 145.9 | -179.3 | 174.1 | 0 | 113.1 | |||||
| 43 | S | 36.6 | Very low | 40.3 | Very low | 108 Ų | 108 | 176.5 Ų | 176.5 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | trans | -78.2 | 144.8 | 163.6 | 42 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 44 | R | 38.4 | Very low | 40.6 | Very low | 226 Ų | 226 | 172.9 Ų | 172.9 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | trans | -171.4 | 109.6 | 145.8 | -108.3 | 167 | -175 | 172.8 | 1.3 | 112.2 | ||||
| 45 | S | 37.5 | Very low | 40.9 | Very low | 111 Ų | 111 | 175.2 Ų | 175.2 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | trans | -52.8 | 141.3 | 155.6 | 47.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 46 | R | 39.8 | Very low | 41.2 | Very low | 247 Ų | 247 | 173 Ų | 173 | 93% | 0.932 | 78% | 0.784 | S | S | * | * | trans | -171.6 | 128.3 | 138.2 | -107.3 | 166.3 | -175.1 | -178.7 | 0.7 | 113 | ||||
| 47 | S | 40.1 | Very low | 41.6 | Very low | 111 Ų | 111 | 174.1 Ų | 174.1 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | trans | -59.5 | 147.2 | 171.2 | -5.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 48 | K | 43.2 | Very low | 41.8 | Very low | 192 Ų | 192 | 167.5 Ų | 167.5 | 84% | 0.835 | 78% | 0.775 | S | S | * | * | trans | 163.4 | 109.4 | 135.8 | -95.2 | 171.1 | 174.3 | 178.7 | 0 | 108.5 | ||||
| 49 | E | 41.7 | Very low | 42.1 | Very low | 137 Ų | 137 | 170.5 Ų | 170.5 | 64% | 0.64 | 78% | 0.784 | S | S | * | * | 60.1 | 121.5 | 91.9 | -112.3 | -160.5 | 146 | 0 | 0 | 114.3 | |||||
| 50 | R | 39 | Very low | 42 | Very low | 172 Ų | 172 | 171.9 Ų | 171.9 | 65% | 0.649 | 79% | 0.789 | S | S | * | * | trans | 97.2 | 120.5 | 141.7 | -68.1 | 173.7 | -173.4 | -174.6 | 7.6 | 119.6 | ||||
| 51 | R | 43.7 | Very low | 42.1 | Very low | 200 Ų | 200 | 164.4 Ų | 164.4 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | trans | 92.5 | 110.9 | 137.3 | -69.9 | 165.1 | -174.2 | -166.6 | 0.4 | 115.3 | ||||
| 52 | R | 37.8 | Very low | 42.1 | Very low | 216 Ų | 216 | 165.9 Ų | 165.9 | 82% | 0.815 | 78% | 0.781 | S | S | * | * | 69.4 | 124.8 | 103.4 | -87.1 | -171.3 | 174 | 169.4 | -1.9 | 110 | |||||
| 53 | D | 45.5 | Very low | 42.3 | Very low | 111 Ų | 111 | 166.3 Ų | 166.3 | 59% | 0.594 | 78% | 0.778 | S | S | * | * | cis | -176.5 | 158.7 | 35.1 | -108.7 | -29 | 0 | 0 | 0 | 107.7 | ||||
| 54 | K | 44.7 | Very low | 42.7 | Very low | 162 Ų | 162 | 166.7 Ų | 166.7 | 70% | 0.704 | 77% | 0.768 | S | S | * | * | trans | 70.7 | 112.1 | 139.3 | -75.4 | 172.5 | -170.6 | 176.8 | 0 | 119.2 | ||||
| 55 | N | 42.9 | Very low | 42.8 | Very low | 159 Ų | 159 | 164.4 Ų | 164.4 | 85% | 0.85 | 76% | 0.759 | S | S | * | * | -178 | 146.2 | 78.5 | -88.4 | -41.1 | 0 | 0 | 0 | 112.8 | |||||
| 56 | H | 46 | Very low | 43 | Very low | 188 Ų | 188 | 168.9 Ų | 168.9 | 87% | 0.87 | 76% | 0.759 | S | S | * | * | trans | -97.9 | 145.8 | -167.9 | -145.9 | 43.1 | 0 | 0 | 0 | 110.4 | ||||
| 57 | E | 48.4 | Very low | 43.1 | Very low | 177 Ų | 177 | 165.6 Ų | 165.6 | 83% | 0.827 | 75% | 0.754 | S | S | * | * | trans | -74.4 | 138.9 | 170 | -83.7 | -177.2 | 130.2 | 0 | 0 | 111.8 | ||||
| 58 | S | 44.9 | Very low | 43.1 | Very low | 98 Ų | 98 | 165.3 Ų | 165.3 | 69% | 0.685 | 75% | 0.752 | S | S | * | * | trans | 62.3 | 111.7 | 139 | 54.5 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 59 | D | 47.9 | Very low | 43.3 | Very low | 153 Ų | 153 | 160.1 Ų | 160.1 | 82% | 0.818 | 74% | 0.74 | S | S | * | * | 65.9 | 105.5 | 125.4 | -79.9 | -42.3 | 0 | 0 | 0 | 121.1 | |||||
| 60 | R | 41.4 | Very low | 43.3 | Very low | 254 Ų | 254 | 164.2 Ų | 164.2 | 96% | 0.958 | 75% | 0.749 | S | S | * | * | -170.7 | 114.8 | 116.2 | -99 | 163.7 | -170.6 | 164.4 | 4.3 | 110.1 | |||||
| 61 | G | 42.2 | Very low | 43.7 | Very low | 72 Ų | 72 | 161.4 Ų | 161.4 | 74% | 0.742 | 75% | 0.747 | S | S | * | * | trans | 146.7 | 94.8 | 154.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 62 | R | 43 | Very low | 43.8 | Very low | 204 Ų | 204 | 161.3 Ų | 161.3 | 77% | 0.77 | 75% | 0.747 | S | S | * | * | 81.6 | 108.9 | 121.4 | -153.4 | 179.7 | -156.9 | -163.9 | 6.1 | 118.4 | |||||
| 63 | R | 43.5 | Very low | 44.3 | Very low | 195 Ų | 195 | 157 Ų | 157 | 74% | 0.736 | 74% | 0.74 | S | S | * | * | trans | 66.3 | 140.3 | 143.9 | -69.4 | 179.8 | -178.6 | 177.4 | -4.6 | 114.9 | ||||
| 64 | E | 46 | Very low | 44.1 | Very low | 115 Ų | 115 | 162.8 Ų | 162.8 | 54% | 0.537 | 75% | 0.754 | S | S | . | * | cis | -172.8 | 145.3 | 18.2 | -118.1 | 172.2 | -156.8 | 0 | 0 | 106.4 | ||||
| 65 | R | 40.7 | Very low | 44.1 | Very low | 178 Ų | 178 | 163.6 Ų | 163.6 | 67% | 0.672 | 76% | 0.76 | S | S | * | * | trans | 74.5 | 110.9 | 137.3 | -71.4 | 169.4 | -175.9 | 162.9 | -5.9 | 120.9 | ||||
| 66 | R | 39.7 | Very low | 44.1 | Very low | 205 Ų | 205 | 168 Ų | 168 | 77% | 0.774 | 76% | 0.764 | S | S | * | * | 106.4 | 106.2 | 118.2 | -71.4 | 174.1 | 176.8 | -178 | -1.4 | 119 | |||||
| 67 | H | 43.2 | Very low | 44 | Very low | 179 Ų | 179 | 164.6 Ų | 164.6 | 83% | 0.829 | 76% | 0.762 | S | S | * | * | 61.3 | 132.1 | 126.4 | -65.5 | -64.4 | 0 | 0 | 0 | 122.5 | |||||
| 68 | S | 40.1 | Very low | 43.9 | Very low | 104 Ų | 104 | 161.6 Ų | 161.6 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | trans | 124.2 | 97 | 136.3 | -170.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 69 | S | 46.9 | Very low | 44 | Very low | 84 Ų | 84 | 167.5 Ų | 167.5 | 59% | 0.587 | 77% | 0.767 | S | S | * | * | 96 | 132.4 | 63.7 | 82.6 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 70 | R | 41.4 | Very low | 44 | Very low | 222 Ų | 222 | 167 Ų | 167 | 84% | 0.838 | 77% | 0.765 | S | S | * | * | trans | 74 | 146.9 | 152.8 | -61.6 | -178.5 | 175.6 | 158 | -3 | 116.8 | ||||
| 71 | D | 48.3 | Very low | 44.1 | Very low | 113 Ų | 113 | 162 Ų | 162 | 60% | 0.604 | 76% | 0.757 | S | S | * | * | cis | -176.3 | 153.2 | -8.7 | -113.5 | -46.1 | 0 | 0 | 0 | 106.1 | ||||
| 72 | R | 45.9 | Very low | 43.8 | Very low | 199 Ų | 199 | 167.7 Ų | 167.7 | 75% | 0.751 | 76% | 0.764 | S | S | * | * | trans | 76.9 | 117.4 | 138.4 | -71.3 | 177.3 | -169.6 | -179.7 | -2.1 | 123.8 | ||||
| 73 | D | 47.7 | Very low | 43.9 | Very low | 125 Ų | 125 | 169 Ų | 169 | 67% | 0.668 | 77% | 0.769 | S | S | * | * | 68.8 | 118.2 | 120.8 | -48.6 | -28.7 | 0 | 0 | 0 | 120.7 | |||||
| 74 | R | 42.2 | Very low | 44 | Very low | 232 Ų | 232 | 164.6 Ų | 164.6 | 88% | 0.875 | 77% | 0.766 | S | S | * | * | 172.1 | 120.8 | 98.1 | -92.4 | 177.5 | -179.7 | 162.5 | -0.4 | 113.9 | |||||
| 75 | H | 43.8 | Very low | 43.6 | Very low | 180 Ų | 180 | 164.1 Ų | 164.1 | 83% | 0.833 | 78% | 0.775 | S | S | * | * | trans | -11.5 | 133.7 | 154.6 | -58.7 | -82.3 | 0 | 0 | 0 | 119.7 | ||||
| 76 | R | 43 | Very low | 43.7 | Very low | 251 Ų | 251 | 165.4 Ų | 165.4 | 95% | 0.947 | 78% | 0.78 | S | S | * | * | trans | -155 | 129.2 | 130.5 | -108.9 | 173.4 | -170.8 | -171.3 | 2.5 | 111.5 | ||||
| 77 | S | 43.4 | Very low | 43.8 | Very low | 117 Ų | 117 | 161.5 Ų | 161.5 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | -76.2 | 132.6 | -173.6 | 49.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 78 | S | 46.7 | Very low | 43.8 | Very low | 114 Ų | 114 | 159.3 Ų | 159.3 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | trans | -159 | 93.9 | 147.9 | -146.9 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 79 | R | 47.3 | Very low | 43.7 | Very low | 221 Ų | 221 | 165.7 Ų | 165.7 | 83% | 0.834 | 78% | 0.777 | S | S | * | * | 48.3 | 119.9 | 103.3 | -83.9 | -173.2 | 179.8 | 172.8 | 0 | 113.5 | |||||
| 80 | D | 48.2 | Very low | 43.4 | Very low | 143 Ų | 143 | 172 Ų | 172 | 77% | 0.765 | 79% | 0.788 | S | S | * | * | trans | 80.3 | 87.4 | 159.1 | -52.4 | -46.7 | 0 | 0 | 0 | 117.8 | ||||
| 81 | D | 42.1 | Very low | 43.4 | Very low | 149 Ų | 149 | 169.7 Ų | 169.7 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | 166 | 80.1 | 106.8 | -104.7 | -48 | 0 | 0 | 0 | 110 | R83 | D81-R83 VanDerWaalsContact C-N 3.33Å; D81-R83 PolarHBondContact O-N 2.98Å; D81-R83 VanDerWaalsContact O-N 3.08Å | |||
| 82 | H | 37.7 | Very low | 43.3 | Very low | 191 Ų | 191 | 173.3 Ų | 173.3 | 88% | 0.884 | 80% | 0.797 | S | S | * | * | trans | -73.5 | 91.5 | 161.9 | -79 | 29.7 | 0 | 0 | 0 | 108.2 | P84 | H82-P84 VanDerWaalsContact C-CD 3.42Å; H82-P84 WeakPolarHBondContact O-CD 3.36Å | ||
| 83 | R | 43.7 | Very low | 43.5 | Very low | 231 Ų | 231 | 167.3 Ų | 167.3 | 87% | 0.872 | 79% | 0.786 | S | S | * | * | trans | -98.3 | 86.6 | 161.9 | -155.3 | 176 | -168.8 | -151.2 | 3.3 | 108.4 | D81 S85 | D81-R83 VanDerWaalsContact C-N 3.33Å; D81-R83 PolarHBondContact O-N 2.98Å; D81-R83 VanDerWaalsContact O-N 3.08Å; R83-S85 PolarHBondContact O-N 2.87Å | ||
| 84 | P | 46.1 | Very low | 44 | Very low | 104 Ų | 104 | 165.9 Ų | 165.9 | 68% | 0.675 | 78% | 0.783 | S | S | * | * | trans | -62.2 | 124.8 | 167.4 | 27.9 | -30.3 | 0 | 0 | 0 | 106.2 | H82 R86 | H82-P84 VanDerWaalsContact C-CD 3.42Å; H82-P84 WeakPolarHBondContact O-CD 3.36Å; P84-R86 VanDerWaalsContact C-N 3.29Å; P84-R86 PolarHBondContact O-N 3.12Å | ||
| 85 | S | 38.2 | Very low | 44.3 | Very low | 104 Ų | 104 | 162.7 Ų | 162.7 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | trans | -54.2 | 101.1 | 167.6 | 50 | 0 | 0 | 0 | 0 | 107.3 | R83 T87 | R83-S85 PolarHBondContact O-N 2.87Å; S85-T87 PolarHBondContact O-N 3.3Å; S85-T87 PolarHBondContact O-OG1 3.11Å | ||
| 86 | R | 42.7 | Very low | 45.1 | Very low | 206 Ų | 206 | 156.4 Ų | 156.4 | 78% | 0.777 | 75% | 0.75 | S | S | * | * | trans | -69.9 | 59.3 | 174.5 | -169.2 | -174.8 | 165.3 | -174.5 | -4.8 | 109.2 | P84 E88 | P84-R86 VanDerWaalsContact C-N 3.29Å; P84-R86 PolarHBondContact O-N 3.12Å; R86-E88 HydrophobicContact CG-CB 4.5Å; R86-E88 HydrophobicContact CG-CG 3.81Å; R86-E88 IonicContact CZ-OE2 3.73Å; R86-E88 IonicContact NE-OE2 3.79Å; R86-E88 PolarHBondContact NE-OE2 2.99Å; R86-E88 IonicContact NH2-OE2 3.4Å; R86-E88 PolarHBondContact NH2-OE2 3.1Å; R86-E88 PolarHBondContact O-N 2.93Å | ||
| 87 | T | 41.4 | Very low | 46.2 | Very low | 122 Ų | 122 | 147 Ų | 147 | 75% | 0.748 | 72% | 0.723 | S | S | * | * | trans | -82.3 | 65.2 | 150.4 | 20.7 | 0 | 0 | 0 | 0 | 105.9 | S85 R89 | S85-T87 PolarHBondContact O-N 3.3Å; S85-T87 PolarHBondContact O-OG1 3.11Å; T87-R89 PolarHBondContact O-N 3.43Å | ||
| 88 | E | 42.3 | Very low | 47.4 | Very low | 133 Ų | 133 | 144.9 Ų | 144.9 | 62% | 0.621 | 71% | 0.707 | S | S | * | * | trans | -53.2 | 114.8 | 162 | -81.3 | 176.8 | 139.8 | 0 | 0 | 106.1 | R86 R90 | R86-E88 HydrophobicContact CG-CB 4.5Å; R86-E88 HydrophobicContact CG-CG 3.81Å; R86-E88 IonicContact CZ-OE2 3.73Å; R86-E88 IonicContact NE-OE2 3.79Å; R86-E88 PolarHBondContact NE-OE2 2.99Å; R86-E88 IonicContact NH2-OE2 3.4Å; R86-E88 PolarHBondContact NH2-OE2 3.1Å; R86-E88 PolarHBondContact O-N 2.93Å; E88-R90 PolarHBondContact O-N 2.91Å | ||
| 89 | R | 38.4 | Very low | 48.4 | Very low | 239 Ų | 239 | 147.1 Ų | 147.1 | 90% | 0.902 | 71% | 0.705 | S | S | * | * | trans | -40.1 | 85.8 | 164.6 | -72.3 | 167.6 | 157 | -164.7 | -5.8 | 109.5 | T87 Q91 | T87-R89 PolarHBondContact O-N 3.43Å; R89-Q91 PolarHBondContact O-N 2.69Å | ||
| 90 | R | 41.3 | Very low | 49.6 | Very low | 217 Ų | 217 | 140.7 Ų | 140.7 | 82% | 0.819 | 68% | 0.684 | S | S | * | * | trans | -71.4 | 92.5 | 167.2 | -161.5 | 175.4 | 173 | -167.3 | -3.3 | 104.4 | E88 K92 | E88-R90 PolarHBondContact O-N 2.91Å; R90-K92 PolarHBondContact O-N 2.82Å; R90-K92 VanDerWaalsContact O-N 3.1Å | ||
| 91 | Q | 41.9 | Very low | 50.7 | Low | 173 Ų | 173 | 138 Ų | 138 | 81% | 0.808 | 66% | 0.663 | S | S | * | * | trans | -46.4 | 120.8 | 179.6 | -66.1 | 179.4 | 7 | 0 | 0 | 108 | R89 S93 | R89-Q91 PolarHBondContact O-N 2.69Å; Q91-S93 PolarHBondContact O-N 3.23Å | ||
| 92 | K | 45.5 | Very low | 52.1 | Low | 189 Ų | 189 | 132.5 Ų | 132.5 | 82% | 0.822 | 63% | 0.634 | S | S | * | * | trans | -62.2 | 101.8 | 178.8 | -161.8 | 174.7 | -176.5 | -171.3 | 0 | 106.4 | R90 | R90-K92 PolarHBondContact O-N 2.82Å; R90-K92 VanDerWaalsContact O-N 3.1Å | ||
| 93 | S | 50.8 | Low | 54.2 | Low | 72 Ų | 72 | 126.1 Ų | 126.1 | 50% | 0.503 | 61% | 0.614 | S | S | . | * | trans | -53 | 141.2 | 176.1 | -52.9 | 0 | 0 | 0 | 0 | 109 | Q91 E95 | Q91-S93 PolarHBondContact O-N 3.23Å; S93-E95 PolarHBondContact O-N 2.79Å | ||
| 94 | P | 56.5 | Low | 56.1 | Low | 96 Ų | 96 | 116.8 Ų | 116.8 | 62% | 0.623 | 58% | 0.579 | S | S | * | * | trans | -52.1 | 139.4 | -176.5 | 20.5 | -32 | 0 | 0 | 0 | 110.7 | L96 | P94-L96 PolarHBondContact O-N 3.44Š| ||
| 95 | E | 50.3 | Low | 58.1 | Low | 164 Ų | 164 | 112.6 Ų | 112.6 | 77% | 0.766 | 55% | 0.552 | S | S | * | * | trans | -68.6 | 82.8 | 176.2 | -72.4 | -164.1 | 148.5 | 0 | 0 | 109.6 | S93 | S93-E95 PolarHBondContact O-N 2.79Š| ||
| 96 | L | 59.8 | Low | 60.5 | Low | 48 Ų | 48 | 107.7 Ų | 107.7 | 25% | 0.251 | 52% | 0.517 | S | S | . | . | trans | -68.4 | 141.1 | 174.5 | -63.6 | 157.4 | 0 | 0 | 0 | 109.4 | P94 E100 R101 | P94-L96 PolarHBondContact O-N 3.44Å; L96-E100 WeakPolarHBondContact CD2-OE2 3.36Å; L96-R101 HydrophobicContact CB-CG 4.42Å; L96-R101 PolarHBondContact O-NE 2.93Å; L96-R101 PolarHBondContact O-NH2 2.99Å | ||
| 97 | S | 67 | Low | 62.8 | Low | 53 Ų | 53 | 99.9 Ų | 99.9 | 37% | 0.371 | 49% | 0.489 | S | S | . | . | trans | -50.4 | 142.4 | 176.1 | 176.9 | 0 | 0 | 0 | 0 | 111.1 | E99 E100 R101 | S97-E99 PolarHBondContact O-N 3.17Å; S97-E100 PolarHBondContact O-N 3.1Å; S97-E100 VanDerWaalsContact O-N 3.1Å; S97-R101 PolarHBondContact O-N 3.18Å | ||
| 98 | P | 67.5 | Low | 65.1 | Low | 74 Ų | 74 | 94.1 Ų | 94.1 | 48% | 0.481 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -51.9 | -36.9 | 178.8 | -25.5 | 33.8 | 0 | 0 | 0 | 113.6 | R101 D102 | P98-R101 WeakPolarHBondContact O-CB 3.41Å; P98-R101 PolarHBondContact O-N 3.22Å; P98-D102 PolarHBondContact O-N 2.92Å |
| 99 | E | 67.2 | Low | 67.4 | Low | 161 Ų | 161 | 93.3 Ų | 93.3 | 75% | 0.752 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -65.4 | -41.3 | 179.6 | -66.7 | 174.2 | 168.1 | 0 | 0 | 112.3 | S97 R101 D102 A103 | S97-E99 PolarHBondContact O-N 3.17Å; E99-R101 VanDerWaalsContact C-N 3.27Å; E99-R101 PolarHBondContact O-N 2.77Å; E99-D102 PolarHBondContact O-N 3.02Å; E99-A103 PolarHBondContact O-N 3.37Å |
| 100 | E | 73 | Confident | 69.8 | Low | 85 Ų | 85 | 86 Ų | 86 | 40% | 0.397 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -76.2 | -17.7 | 177.8 | -51.9 | -174.9 | 171 | 0 | 0 | 112.9 | L96 S97 R104 | L96-E100 WeakPolarHBondContact CD2-OE2 3.36Å; S97-E100 PolarHBondContact O-N 3.1Å; S97-E100 VanDerWaalsContact O-N 3.1Å; E100-R104 VanDerWaalsContact O-CG 3.3Å; E100-R104 WeakPolarHBondContact O-CG 3.38Å; E100-R104 PolarHBondContact O-NH1 3.18Å; E100-R104 IonicContact OE2-CZ 2.87Å; E100-R104 IonicContact OE2-NH1 3.38Å; E100-R104 PolarHBondContact OE2-NH1 3.2Å; E100-R104 IonicContact OE2-NH2 3.78Å; E100-R104 PolarHBondContact OE2-NH2 3.43Å |
| 101 | R | 70.6 | Confident | 71.9 | Confident | 88 Ų | 88 | 76.1 Ų | 76.1 | 33% | 0.332 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -71.3 | -45.8 | 171 | -67.4 | 178.3 | -174.1 | -171.1 | 1.5 | 109.6 | L96 S97 P98 E99 A103 R104 T105 | L96-R101 HydrophobicContact CB-CG 4.42Å; L96-R101 PolarHBondContact O-NE 2.93Å; L96-R101 PolarHBondContact O-NH2 2.99Å; S97-R101 PolarHBondContact O-N 3.18Å; P98-R101 WeakPolarHBondContact O-CB 3.41Å; P98-R101 PolarHBondContact O-N 3.22Å; E99-R101 VanDerWaalsContact C-N 3.27Å; E99-R101 PolarHBondContact O-N 2.77Å; R101-A103 VanDerWaalsContact C-N 3.33Å; R101-A103 PolarHBondContact O-N 2.83Å; R101-R104 CarbonylContact O-C 3.59Å; R101-R104 PolarHBondContact O-N 2.83Å; R101-T105 VanDerWaalsContact O-CG2 3.25Å; R101-T105 WeakPolarHBondContact O-CG2 3.43Å; R101-T105 PolarHBondContact O-N 2.73Å; R101-T105 VanDerWaalsContact O-N 3.1Å; R101-T105 PolarHBondContact O-OG1 3.44Å |
| 102 | D | 72.5 | Confident | 74 | Confident | 33 Ų | 33 | 68.9 Ų | 68.9 | 18% | 0.176 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -59.5 | -44.6 | 178.6 | -93 | 23.2 | 0 | 0 | 0 | 111.7 | P98 E99 R104 T105 E182 | P98-D102 PolarHBondContact O-N 2.92Å; E99-D102 PolarHBondContact O-N 3.02Å; D102-R104 PolarHBondContact O-N 3.3Å; D102-R104 VanDerWaalsContact O-N 3.15Å; D102-T105 WeakPolarHBondContact CA-OG1 3.3Å; D102-T105 PolarHBondContact O-N 2.82Å; D102-T105 PolarHBondContact O-OG1 3.48Å; D102-E182 WeakPolarHBondContact OD2-CA 3.46Å; D102-E182 WeakPolarHBondContact OD2-CB 3.3Å; D102-E182 PolarHBondContact OD2-N 3.15Å |
| 103 | A | 81.2 | Confident | 75.7 | Confident | 57 Ų | 57 | 62.3 Ų | 62.3 | 47% | 0.471 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -22.6 | 176 | 0 | 0 | 0 | 0 | 0 | 114.5 | E99 R101 | E99-A103 PolarHBondContact O-N 3.37Å; R101-A103 VanDerWaalsContact C-N 3.33Å; R101-A103 PolarHBondContact O-N 2.83Å |
| 104 | R | 84.9 | Confident | 77.3 | Confident | 34 Ų | 34 | 69.2 Ų | 69.2 | 13% | 0.128 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99 | -1.2 | 176.8 | -63.9 | 179.5 | -169.3 | 104 | -1.7 | 113 | E100 R101 D102 F152 V155 | E100-R104 VanDerWaalsContact O-CG 3.3Å; E100-R104 WeakPolarHBondContact O-CG 3.38Å; E100-R104 PolarHBondContact O-NH1 3.18Å; E100-R104 IonicContact OE2-CZ 2.87Å; E100-R104 IonicContact OE2-NH1 3.38Å; E100-R104 PolarHBondContact OE2-NH1 3.2Å; E100-R104 IonicContact OE2-NH2 3.78Å; E100-R104 PolarHBondContact OE2-NH2 3.43Å; R101-R104 CarbonylContact O-C 3.59Å; R101-R104 PolarHBondContact O-N 2.83Å; D102-R104 PolarHBondContact O-N 3.3Å; D102-R104 VanDerWaalsContact O-N 3.15Å; R104-F152 WeakPolarHBondContact CB-O 3.27Å; R104-F152 PolarHBondContact O-N 3.23Å; R104-V155 HydrophobicContact CG-CB 4.29Å; R104-V155 HydrophobicContact CG-CG2 3.57Å |
| 105 | T | 86.9 | Confident | 78.7 | Confident | 17 Ų | 17 | 65 Ų | 65 | 10% | 0.104 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 137.6 | 179.4 | 55.6 | 0 | 0 | 0 | 0 | 111.5 | R101 D102 V150 E151 S179 | R101-T105 VanDerWaalsContact O-CG2 3.25Å; R101-T105 WeakPolarHBondContact O-CG2 3.43Å; R101-T105 PolarHBondContact O-N 2.73Å; R101-T105 VanDerWaalsContact O-N 3.1Å; R101-T105 PolarHBondContact O-OG1 3.44Å; D102-T105 WeakPolarHBondContact CA-OG1 3.3Å; D102-T105 PolarHBondContact O-N 2.82Å; D102-T105 PolarHBondContact O-OG1 3.48Å; T105-V150 CarbonylContact C-O 3.54Å; T105-V150 VanDerWaalsContact CA-O 3.29Å; T105-V150 WeakPolarHBondContact CA-O 3.34Å; T105-E151 HydrophobicContact CG2-CB 3.65Å; T105-E151 HydrophobicContact CG2-CG 3.6Å; T105-S179 WeakPolarHBondContact O-CB 3.28Å; T105-S179 PolarHBondContact O-N 2.83Å; T105-S179 VanDerWaalsContact O-N 3.15Å; T105-S179 WeakPolarHBondContact OG1-CB 3.25Å; T105-S179 PolarHBondContact OG1-OG 2.94Å |
| 106 | V | 90 | Very high | 80.4 | Confident | 1 Ų | 1 | 65.7 Ų | 65.7 | 1% | 0.006 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 140.6 | 170.2 | -59.6 | 0 | 0 | 0 | 0 | 109.9 | V108 Y149 V150 F152 A158 A161 I176 Q177 | V106-V108 HydrophobicContact CG2-CG2 4.06Å; V106-Y149 WeakPolarHBondContact O-CA 3.11Å; V106-V150 HydrophobicContact CG2-CB 3.75Å; V106-V150 HydrophobicContact CG2-CG1 4.44Å; V106-V150 PolarHBondContact N-O 3.33Å; V106-V150 PolarHBondContact O-N 3Å; V106-F152 HydrophobicContact CB-CE2 4.49Å; V106-F152 HydrophobicContact CG1-CD2 4.42Å; V106-F152 HydrophobicContact CG1-CE2 4.02Å; V106-F152 HydrophobicContact CG2-CD2 4.45Å; V106-F152 HydrophobicContact CG2-CE2 3.65Å; V106-A158 HydrophobicContact CG1-CB 3.94Å; V106-A161 HydrophobicContact CG1-CB 4.27Å; V106-I176 HydrophobicContact CB-CG2 3.84Å; V106-I176 HydrophobicContact CG1-CG2 4.3Å; V106-I176 HydrophobicContact CG2-CG2 4.06Å; V106-Q177 CarbonylContact C-O 3.56Å; V106-Q177 WeakPolarHBondContact CA-O 3.33Å |
| 107 | F | 90.4 | Very high | 81.7 | Confident | 42 Ų | 42 | 67.4 Ų | 67.4 | 18% | 0.184 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 119.3 | 170.2 | 177.6 | -115.2 | 0 | 0 | 0 | 108.9 | W109 I147 Y149 I176 Q177 | F107-W109 HydrophobicContact CE1-CB 3.75Å; F107-W109 AromaticContact CE1-CG 3.9Å; F107-W109 HydrophobicContact CE1-CG 3.9Å; F107-W109 HydrophobicContact CZ-CB 3.92Å; F107-I147 HydrophobicContact CE2-CB 3.84Å; F107-I147 HydrophobicContact CE2-CD1 4.44Å; F107-I147 HydrophobicContact CE2-CG1 4.45Å; F107-I147 HydrophobicContact CE2-CG2 4.32Å; F107-I147 HydrophobicContact CZ-CB 3.98Å; F107-I147 HydrophobicContact CZ-CG2 3.93Å; F107-Y149 HydrophobicContact CB-CD1 4.29Å; F107-Y149 HydrophobicContact CB-CE1 4.11Å; F107-Y149 AromaticContact CD2-CD1 3.93Å; F107-Y149 HydrophobicContact CD2-CD1 3.93Å; F107-Y149 AromaticContact CD2-CE1 3.44Å; F107-Y149 HydrophobicContact CD2-CE1 3.44Å; F107-Y149 VanDerWaalsContact CD2-CE1 3.44Å; F107-Y149 HydrophobicContact CD2-CE2 4.29Å; F107-Y149 AromaticContact CD2-CZ 3.64Å; F107-Y149 HydrophobicContact CE2-CE1 4.25Å; F107-Y149 HydrophobicContact CE2-CE2 4.45Å; F107-Y149 AromaticContact CE2-CZ 3.98Å; F107-Y149 HydrophobicContact CG-CE1 4.15Å; F107-I176 WeakPolarHBondContact O-CA 3.22Å; F107-Q177 PolarHBondContact N-O 3.22Å; F107-Q177 PolarHBondContact O-N 2.76Å |
| 108 | V | 89.3 | Confident | 82.7 | Confident | 0 Ų | 0 | 73.7 Ų | 73.7 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 125.4 | 178.5 | -168.1 | 0 | 0 | 0 | 0 | 108.2 | V106 L111 F124 I147 A148 V150 I174 Q175 I176 | V106-V108 HydrophobicContact CG2-CG2 4.06Å; V108-L111 HydrophobicContact CB-CD1 4.44Å; V108-L111 HydrophobicContact CG1-CD1 4.2Å; V108-L111 HydrophobicContact CG1-CD2 3.55Å; V108-L111 HydrophobicContact CG1-CG 4.02Å; V108-F124 HydrophobicContact CG1-CZ 4.48Å; V108-F124 HydrophobicContact CG2-CE2 3.86Å; V108-F124 HydrophobicContact CG2-CZ 3.67Å; V108-I147 CarbonylContact O-C 3.35Å; V108-I147 VanDerWaalsContact O-CA 3.27Å; V108-I147 WeakPolarHBondContact O-CA 3.37Å; V108-A148 PolarHBondContact N-O 3.19Å; V108-A148 PolarHBondContact O-N 3.38Å; V108-V150 HydrophobicContact CG2-CG2 4Å; V108-I174 HydrophobicContact CG1-CB 4.41Å; V108-Q175 CarbonylContact C-O 3.54Å; V108-Q175 VanDerWaalsContact CA-O 3.3Å; V108-Q175 WeakPolarHBondContact CA-O 2.92Å; V108-I176 HydrophobicContact CG1-CG1 4.16Å; V108-I176 HydrophobicContact CG2-CG1 4.33Å; V108-I176 HydrophobicContact CG2-CG2 4.4Å |
| 109 | W | 90.7 | Very high | 83.7 | Confident | 117 Ų | 117 | 72.8 Ų | 72.8 | 44% | 0.443 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 174.4 | 177.3 | 69.9 | -57.5 | 0 | 0 | 0 | 110.9 | F107 L111 G146 I147 Q175 | F107-W109 HydrophobicContact CE1-CB 3.75Å; F107-W109 AromaticContact CE1-CG 3.9Å; F107-W109 HydrophobicContact CE1-CG 3.9Å; F107-W109 HydrophobicContact CZ-CB 3.92Å; W109-L111 VanDerWaalsContact C-N 3.29Å; W109-L111 PolarHBondContact O-N 2.6Å; W109-G146 CarbonylContact C-O 3.55Å; W109-G146 WeakPolarHBondContact CA-O 3.27Å; W109-I147 HydrophobicContact CB-CB 4.47Å; W109-I147 HydrophobicContact CB-CG2 3.75Å; W109-Q175 HydrophobicContact CD2-CB 4.36Å; W109-Q175 HydrophobicContact CG-CB 4.09Å; W109-Q175 PolarHBondContact N-O 2.9Å; W109-Q175 PolarHBondContact O-N 3.45Å |
| 110 | Q | 88.3 | Confident | 84.7 | Confident | 85 Ų | 85 | 65.1 Ų | 65.1 | 40% | 0.397 | 29% | 0.294 | S | S | . | . | S | Bend | trans | 63.5 | 34.3 | -173.4 | -160.4 | 173.7 | -32.2 | 0 | 0 | 112.9 | G146 V172 P173 Q175 | Q110-G146 PolarHBondContact N-O 2.72Å; Q110-V172 HydrophobicContact CG-CG1 4.2Å; Q110-V172 WeakPolarHBondContact O-CG1 3.36Å; Q110-P173 PolarHBondContact NE2-O 3.02Å; Q110-Q175 HydrophobicContact CB-CB 4.43Å; Q110-Q175 HydrophobicContact CB-CG 4.17Å |
| 111 | L | 86.8 | Confident | 85.4 | Confident | 10 Ų | 10 | 64.2 Ų | 64.2 | 5% | 0.052 | 29% | 0.29 | C | S | . | . | trans | -80 | 147.5 | 176.3 | -60.2 | 174.6 | 0 | 0 | 0 | 111.9 | V108 W109 I115 L120 L135 G146 A148 I174 | V108-L111 HydrophobicContact CB-CD1 4.44Å; V108-L111 HydrophobicContact CG1-CD1 4.2Å; V108-L111 HydrophobicContact CG1-CD2 3.55Å; V108-L111 HydrophobicContact CG1-CG 4.02Å; W109-L111 VanDerWaalsContact C-N 3.29Å; W109-L111 PolarHBondContact O-N 2.6Å; L111-I115 HydrophobicContact CB-CD1 4.14Å; L111-I115 HydrophobicContact CB-CG2 3.96Å; L111-I115 HydrophobicContact CD1-CD1 4.18Å; L111-I115 HydrophobicContact CD1-CG2 4.33Å; L111-I115 HydrophobicContact CD2-CD1 3.73Å; L111-I115 HydrophobicContact CG-CD1 4.24Å; L111-L120 HydrophobicContact CD1-CD1 4Å; L111-L120 HydrophobicContact CD1-CD2 4.03Å; L111-L120 HydrophobicContact CD2-CD2 3.96Å; L111-L135 HydrophobicContact CD1-CD1 4.24Å; L111-G146 PolarHBondContact N-O 3.43Å; L111-G146 WeakPolarHBondContact O-CA 3.32Å; L111-A148 HydrophobicContact CD1-CB 3.58Å; L111-I174 HydrophobicContact CD2-CB 4.17Å; L111-I174 HydrophobicContact CD2-CG2 3.66Å | ||
| 112 | S | 84.4 | Confident | 86.3 | Confident | 21 Ų | 21 | 65.8 Ų | 65.8 | 15% | 0.147 | 31% | 0.305 | C | S | . | . | trans | -58.3 | 139.9 | 174 | -178.9 | 0 | 0 | 0 | 0 | 111.5 | R114 I115 | S112-R114 PolarHBondContact O-N 3.35Å; S112-R114 PolarHBondContact OG-N 3.34Å; S112-I115 WeakPolarHBondContact O-CB 3.06Å; S112-I115 VanDerWaalsContact O-CG2 3.24Å; S112-I115 WeakPolarHBondContact O-CG2 2.98Å; S112-I115 PolarHBondContact O-N 3.44Å | ||
| 113 | A | 82.7 | Confident | 87 | Confident | 51 Ų | 51 | 66.5 Ų | 66.5 | 42% | 0.421 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -13.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | S144 | A113-S144 VanDerWaalsContact CA-OG 3.31Å; A113-S144 WeakPolarHBondContact CA-OG 3.48Å; A113-S144 PolarHBondContact O-OG 2.86Å; A113-S144 VanDerWaalsContact O-OG 3.07Å |
| 114 | R | 83.6 | Confident | 87.3 | Confident | 217 Ų | 217 | 63.8 Ų | 63.8 | 82% | 0.819 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | -6.8 | 178.6 | -62.7 | -176.8 | 178.7 | -179.3 | 0.5 | 113.8 | S112 | S112-R114 PolarHBondContact O-N 3.35Å; S112-R114 PolarHBondContact OG-N 3.34Å |
| 115 | I | 85.2 | Confident | 87.4 | Confident | 6 Ų | 6 | 66.4 Ų | 66.4 | 3% | 0.031 | 30% | 0.304 | C | S | . | . | trans | -65.4 | 139.9 | -174 | -154.5 | 173.3 | 0 | 0 | 0 | 111.6 | L111 S112 D119 L120 L135 L169 | L111-I115 HydrophobicContact CB-CD1 4.14Å; L111-I115 HydrophobicContact CB-CG2 3.96Å; L111-I115 HydrophobicContact CD1-CD1 4.18Å; L111-I115 HydrophobicContact CD1-CG2 4.33Å; L111-I115 HydrophobicContact CD2-CD1 3.73Å; L111-I115 HydrophobicContact CG-CD1 4.24Å; S112-I115 WeakPolarHBondContact O-CB 3.06Å; S112-I115 VanDerWaalsContact O-CG2 3.24Å; S112-I115 WeakPolarHBondContact O-CG2 2.98Å; S112-I115 PolarHBondContact O-N 3.44Å; I115-D119 HydrophobicContact CG1-CB 3.98Å; I115-L120 HydrophobicContact CD1-CD1 4.31Å; I115-L120 HydrophobicContact CD1-CD2 3.48Å; I115-L120 VanDerWaalsContact CD1-CD2 3.48Å; I115-L120 HydrophobicContact CD1-CG 3.65Å; I115-L120 HydrophobicContact CG1-CG 4.25Å; I115-L135 HydrophobicContact CG2-CD1 4Å; I115-L135 HydrophobicContact CG2-CD2 4.46Å; I115-L169 HydrophobicContact CD1-CD1 4.43Å; I115-L169 HydrophobicContact CD1-CD2 3.29Å; I115-L169 HydrophobicContact CD1-CG 4.47Å; I115-L169 HydrophobicContact CG1-CD2 3.77Å | ||
| 116 | R | 85.5 | Confident | 87.4 | Confident | 179 Ų | 179 | 70.2 Ų | 70.2 | 68% | 0.675 | 33% | 0.331 | S | S | * | . | trans | -111.4 | 164.2 | 172 | -65.4 | -175.5 | 172.1 | -173.9 | -1.5 | 110.6 | R118 D119 L120 | R116-R118 PolarHBondContact O-N 3.34Å; R116-D119 PolarHBondContact N-OD2 3.47Å; R116-D119 PolarHBondContact O-N 2.76Å; R116-D119 VanDerWaalsContact O-N 3.16Å; R116-L120 PolarHBondContact O-N 3.1Å | ||
| 117 | Q | 88.1 | Confident | 87.2 | Confident | 85 Ų | 85 | 71.2 Ų | 71.2 | 40% | 0.397 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -52.9 | -41.6 | 174.9 | -174.4 | 177.7 | -26.8 | 0 | 0 | 112.3 | D119 L120 E121 V133 | Q117-D119 VanDerWaalsContact C-N 3.35Å; Q117-D119 PolarHBondContact O-N 3.45Å; Q117-L120 PolarHBondContact O-N 3.37Å; Q117-E121 WeakPolarHBondContact CG-OE1 3.25Å; Q117-E121 PolarHBondContact NE2-OE1 2.97Å; Q117-E121 WeakPolarHBondContact O-CG 3.35Å; Q117-E121 PolarHBondContact O-N 3.17Å; Q117-V133 HydrophobicContact CG-CB 3.75Å; Q117-V133 HydrophobicContact CG-CG1 3.84Å |
| 118 | R | 87.1 | Confident | 87 | Confident | 184 Ų | 184 | 70 Ų | 70 | 69% | 0.694 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -62.1 | -39 | 179.7 | -62.8 | -179.7 | -170.6 | 178 | 0.5 | 113.1 | R116 L120 E121 D122 | R116-R118 PolarHBondContact O-N 3.34Å; R118-L120 VanDerWaalsContact C-N 3.27Å; R118-L120 PolarHBondContact O-N 3.28Å; R118-E121 WeakPolarHBondContact O-CB 3.44Å; R118-E121 PolarHBondContact O-N 3.08Å; R118-E121 VanDerWaalsContact O-N 3.14Å; R118-D122 PolarHBondContact O-N 3.42Å |
| 119 | D | 88.3 | Confident | 87 | Confident | 56 Ų | 56 | 76.7 Ų | 76.7 | 30% | 0.299 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65.9 | -35.5 | -179.1 | -50.2 | -39.8 | 0 | 0 | 0 | 111 | I115 R116 Q117 F123 | I115-D119 HydrophobicContact CG1-CB 3.98Å; R116-D119 PolarHBondContact N-OD2 3.47Å; R116-D119 PolarHBondContact O-N 2.76Å; R116-D119 VanDerWaalsContact O-N 3.16Å; Q117-D119 VanDerWaalsContact C-N 3.35Å; Q117-D119 PolarHBondContact O-N 3.45Å; D119-F123 VanDerWaalsContact O-CB 3.3Å; D119-F123 WeakPolarHBondContact O-CB 3.46Å; D119-F123 PolarHBondContact O-N 2.79Å; D119-F123 VanDerWaalsContact O-N 3.15Å |
| 120 | L | 88.2 | Confident | 86.9 | Confident | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -70.8 | -40.4 | 172.8 | -68.9 | 170.2 | 0 | 0 | 0 | 111.2 | L111 I115 R116 Q117 R118 F123 F124 V133 L135 A148 | L111-L120 HydrophobicContact CD1-CD1 4Å; L111-L120 HydrophobicContact CD1-CD2 4.03Å; L111-L120 HydrophobicContact CD2-CD2 3.96Å; I115-L120 HydrophobicContact CD1-CD1 4.31Å; I115-L120 HydrophobicContact CD1-CD2 3.48Å; I115-L120 VanDerWaalsContact CD1-CD2 3.48Å; I115-L120 HydrophobicContact CD1-CG 3.65Å; I115-L120 HydrophobicContact CG1-CG 4.25Å; R116-L120 PolarHBondContact O-N 3.1Å; Q117-L120 PolarHBondContact O-N 3.37Å; R118-L120 VanDerWaalsContact C-N 3.27Å; R118-L120 PolarHBondContact O-N 3.28Å; L120-F123 PolarHBondContact O-N 3.19Å; L120-F124 HydrophobicContact CB-CD2 4.43Å; L120-F124 HydrophobicContact CD2-CE2 3.99Å; L120-F124 WeakPolarHBondContact O-CB 3.4Å; L120-F124 VanDerWaalsContact O-CD2 3.22Å; L120-F124 WeakPolarHBondContact O-CD2 3.43Å; L120-F124 PolarHBondContact O-N 3.21Å; L120-V133 HydrophobicContact CB-CG1 4.04Å; L120-V133 HydrophobicContact CD1-CG1 3.88Å; L120-L135 HydrophobicContact CD1-CD1 4.39Å; L120-A148 HydrophobicContact CD1-CB 3.61Å |
| 121 | E | 89 | Confident | 86.7 | Confident | 66 Ų | 66 | 72.1 Ų | 72.1 | 31% | 0.308 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -59.9 | -49.1 | 176.2 | -72.9 | 171.8 | -176.8 | 0 | 0 | 111.2 | Q117 R118 F123 F124 T125 I130 V133 | Q117-E121 WeakPolarHBondContact CG-OE1 3.25Å; Q117-E121 PolarHBondContact NE2-OE1 2.97Å; Q117-E121 WeakPolarHBondContact O-CG 3.35Å; Q117-E121 PolarHBondContact O-N 3.17Å; R118-E121 WeakPolarHBondContact O-CB 3.44Å; R118-E121 PolarHBondContact O-N 3.08Å; R118-E121 VanDerWaalsContact O-N 3.14Å; E121-F123 VanDerWaalsContact C-N 3.33Å; E121-F123 PolarHBondContact O-N 2.78Å; E121-F124 PolarHBondContact O-N 3.31Å; E121-T125 VanDerWaalsContact O-CB 3.3Å; E121-T125 WeakPolarHBondContact O-CB 3.48Å; E121-T125 PolarHBondContact O-N 2.86Å; E121-T125 PolarHBondContact O-OG1 3.04Å; E121-I130 HydrophobicContact CB-CD1 4.26Å; E121-I130 HydrophobicContact CG-CD1 4.43Å; E121-I130 VanDerWaalsContact O-CD1 3.23Å; E121-I130 WeakPolarHBondContact O-CD1 2.98Å; E121-V133 HydrophobicContact CG-CB 4.33Å; E121-V133 HydrophobicContact CG-CG2 3.63Å |
| 122 | D | 88.6 | Confident | 86.6 | Confident | 120 Ų | 120 | 75.4 Ų | 75.4 | 64% | 0.642 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -62.9 | -40 | 179.3 | -67.6 | -25.7 | 0 | 0 | 0 | 111.7 | R118 | R118-D122 PolarHBondContact O-N 3.42Å |
| 123 | F | 87.2 | Confident | 86.8 | Confident | 48 Ų | 48 | 74.5 Ų | 74.5 | 21% | 0.211 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -66.1 | -49.7 | 179.1 | -177.8 | -97.3 | 0 | 0 | 0 | 112.5 | D119 L120 E121 T125 S126 L164 T167 L169 I174 | D119-F123 VanDerWaalsContact O-CB 3.3Å; D119-F123 WeakPolarHBondContact O-CB 3.46Å; D119-F123 PolarHBondContact O-N 2.79Å; D119-F123 VanDerWaalsContact O-N 3.15Å; L120-F123 PolarHBondContact O-N 3.19Å; E121-F123 VanDerWaalsContact C-N 3.33Å; E121-F123 PolarHBondContact O-N 2.78Å; F123-T125 VanDerWaalsContact C-N 3.33Å; F123-T125 PolarHBondContact O-N 3.17Å; F123-S126 PolarHBondContact O-OG 3.4Å; F123-L164 HydrophobicContact CE1-CB 4.2Å; F123-L164 HydrophobicContact CE1-CD1 3.68Å; F123-L164 HydrophobicContact CZ-CB 4.17Å; F123-L164 HydrophobicContact CZ-CD1 3.75Å; F123-T167 HydrophobicContact CZ-CG2 4.35Å; F123-T167 WeakPolarHBondContact CZ-OG1 3.46Å; F123-L169 HydrophobicContact CB-CD1 3.64Å; F123-L169 HydrophobicContact CD1-CD1 4.18Å; F123-L169 HydrophobicContact CD2-CD1 3.74Å; F123-L169 HydrophobicContact CE2-CD1 4.49Å; F123-L169 HydrophobicContact CG-CD1 3.56Å; F123-I174 HydrophobicContact CD1-CD1 3.99Å; F123-I174 HydrophobicContact CE1-CD1 3.33Å; F123-I174 HydrophobicContact CZ-CD1 3.65Å |
| 124 | F | 87.3 | Confident | 87 | Confident | 0 Ų | 0 | 79 Ų | 79 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -79.7 | -13.6 | -177 | -74.5 | -65.6 | 0 | 0 | 0 | 113.9 | V108 L120 E121 S126 V127 G128 I130 V150 F152 A161 I176 | V108-F124 HydrophobicContact CG1-CZ 4.48Å; V108-F124 HydrophobicContact CG2-CE2 3.86Å; V108-F124 HydrophobicContact CG2-CZ 3.67Å; L120-F124 HydrophobicContact CB-CD2 4.43Å; L120-F124 HydrophobicContact CD2-CE2 3.99Å; L120-F124 WeakPolarHBondContact O-CB 3.4Å; L120-F124 VanDerWaalsContact O-CD2 3.22Å; L120-F124 WeakPolarHBondContact O-CD2 3.43Å; L120-F124 PolarHBondContact O-N 3.21Å; E121-F124 PolarHBondContact O-N 3.31Å; F124-S126 PolarHBondContact O-N 2.73Å; F124-V127 PolarHBondContact O-N 2.67Å; F124-G128 PolarHBondContact O-N 3.1Å; F124-I130 HydrophobicContact CB-CD1 3.54Å; F124-I130 HydrophobicContact CB-CG1 4.11Å; F124-V150 HydrophobicContact CB-CG1 4.36Å; F124-V150 HydrophobicContact CD2-CB 4.43Å; F124-V150 HydrophobicContact CD2-CG1 4.05Å; F124-V150 HydrophobicContact CD2-CG2 3.85Å; F124-V150 HydrophobicContact CE2-CG2 3.82Å; F124-V150 HydrophobicContact CG-CG1 4.2Å; F124-F152 HydrophobicContact CB-CE1 4.01Å; F124-F152 HydrophobicContact CB-CZ 3.97Å; F124-F152 HydrophobicContact CD1-CE1 4.44Å; F124-F152 AromaticContact CD1-CZ 3.66Å; F124-F152 HydrophobicContact CD1-CZ 3.66Å; F124-F152 HydrophobicContact CE1-CZ 4.42Å; F124-F152 AromaticContact CG-CZ 3.99Å; F124-F152 HydrophobicContact CG-CZ 3.99Å; F124-A161 HydrophobicContact CD1-CB 4.14Å; F124-A161 HydrophobicContact CE1-CB 3.98Å; F124-I176 HydrophobicContact CE1-CD1 3.68Å; F124-I176 HydrophobicContact CZ-CD1 3.72Å; F124-I176 HydrophobicContact CZ-CG1 4.18Å |
| 125 | T | 88.4 | Confident | 87.1 | Confident | 90 Ų | 90 | 70.1 Ų | 70.1 | 55% | 0.552 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -59 | -28.9 | 172.7 | -69 | 0 | 0 | 0 | 0 | 111.9 | E121 F123 V127 | E121-T125 VanDerWaalsContact O-CB 3.3Å; E121-T125 WeakPolarHBondContact O-CB 3.48Å; E121-T125 PolarHBondContact O-N 2.86Å; E121-T125 PolarHBondContact O-OG1 3.04Å; F123-T125 VanDerWaalsContact C-N 3.33Å; F123-T125 PolarHBondContact O-N 3.17Å; T125-V127 PolarHBondContact O-N 3.4Å |
| 126 | S | 86.7 | Confident | 87.1 | Confident | 97 Ų | 97 | 72 Ų | 72 | 68% | 0.678 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -27.4 | 175 | 65 | 0 | 0 | 0 | 0 | 113.7 | F123 F124 | F123-S126 PolarHBondContact O-OG 3.4Å; F124-S126 PolarHBondContact O-N 2.73Å |
| 127 | V | 85.2 | Confident | 87 | Confident | 22 Ų | 22 | 68.5 Ų | 68.5 | 13% | 0.133 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | -32.7 | -175.7 | -173 | 0 | 0 | 0 | 0 | 111.9 | F124 T125 S157 L160 A161 L164 | F124-V127 PolarHBondContact O-N 2.67Å; T125-V127 PolarHBondContact O-N 3.4Å; V127-S157 VanDerWaalsContact CG1-O 3.22Å; V127-S157 WeakPolarHBondContact CG1-O 3.47Å; V127-L160 HydrophobicContact CG1-CB 3.4Å; V127-A161 HydrophobicContact CG1-CB 4.1Å; V127-L164 HydrophobicContact CG2-CD1 3.2Å; V127-L164 HydrophobicContact CG2-CG 4.04Å |
| 128 | G | 86.3 | Confident | 86.6 | Confident | 17 Ų | 17 | 66.6 Ų | 66.6 | 18% | 0.175 | 33% | 0.328 | C | S | . | . | S | Bend | trans | 174.8 | 178.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | F124 I130 | F124-G128 PolarHBondContact O-N 3.1Å; G128-I130 PolarHBondContact O-N 3.39Å |
| 129 | K | 89.1 | Confident | 86.2 | Confident | 140 Ų | 140 | 65.3 Ų | 65.3 | 61% | 0.609 | 34% | 0.335 | S | S | * | . | trans | -76.3 | 121.8 | 178.6 | -68.1 | 176.1 | -176.9 | 166.1 | 0 | 110.1 | R153 | K129-R153 HydrophobicContact CB-CB 4.15Å; K129-R153 WeakPolarHBondContact O-CB 3.32Å; K129-R153 PolarHBondContact O-N 3.39Å | ||
| 130 | I | 88 | Confident | 85.6 | Confident | 41 Ų | 41 | 72 Ų | 72 | 21% | 0.21 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 134.5 | -179.4 | -53.7 | 167.4 | 0 | 0 | 0 | 109.7 | E121 F124 G128 V133 V150 E151 F152 | E121-I130 HydrophobicContact CB-CD1 4.26Å; E121-I130 HydrophobicContact CG-CD1 4.43Å; E121-I130 VanDerWaalsContact O-CD1 3.23Å; E121-I130 WeakPolarHBondContact O-CD1 2.98Å; F124-I130 HydrophobicContact CB-CD1 3.54Å; F124-I130 HydrophobicContact CB-CG1 4.11Å; G128-I130 PolarHBondContact O-N 3.39Å; I130-V133 HydrophobicContact CG2-CG2 3.54Å; I130-V150 HydrophobicContact CG2-CG1 4.06Å; I130-E151 CarbonylContact C-O 3.43Å; I130-E151 WeakPolarHBondContact CG2-O 3.43Å; I130-F152 HydrophobicContact CG1-CD1 4.36Å; I130-F152 HydrophobicContact CG1-CE1 4.17Å |
| 131 | R | 85.1 | Confident | 85.3 | Confident | 65 Ų | 65 | 76.3 Ų | 76.3 | 25% | 0.245 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | -46.4 | 175.5 | -163.5 | -179.3 | 93.3 | 158.6 | -4.8 | 111.5 | E151 | R131-E151 HydrophobicContact CB-CB 4.28Å; R131-E151 HydrophobicContact CB-CG 3.99Å; R131-E151 IonicContact CZ-OE1 2.85Å; R131-E151 IonicContact CZ-OE2 3.4Å; R131-E151 PolarHBondContact N-O 2.83Å; R131-E151 IonicContact NE-OE1 3.47Å; R131-E151 PolarHBondContact NE-OE1 2.87Å; R131-E151 IonicContact NE-OE2 2.82Å; R131-E151 PolarHBondContact NE-OE2 2.82Å; R131-E151 IonicContact NH1-OE1 2.98Å; R131-E151 IonicContact NH2-OE1 3.23Å; R131-E151 PolarHBondContact NH2-OE1 3.46Å; R131-E151 IonicContact NH2-OE2 2.64Å; R131-E151 PolarHBondContact NH2-OE2 2.87Å |
| 132 | D | 85.3 | Confident | 84.5 | Confident | 78 Ų | 78 | 81.8 Ų | 81.8 | 42% | 0.417 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 151.4 | -179.9 | -164.4 | 26.6 | 0 | 0 | 0 | 111.6 | E151 | D132-E151 HydrophobicContact CB-CB 4.38Å; D132-E151 PolarHBondContact N-O 2.84Å; D132-E151 PolarHBondContact O-N 3.04Å |
| 133 | V | 87.2 | Confident | 84 | Confident | 3 Ų | 3 | 84 Ų | 84 | 2% | 0.018 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 120.6 | 175.2 | 178.8 | 0 | 0 | 0 | 0 | 109.2 | Q117 L120 E121 I130 V150 | Q117-V133 HydrophobicContact CG-CB 3.75Å; Q117-V133 HydrophobicContact CG-CG1 3.84Å; L120-V133 HydrophobicContact CB-CG1 4.04Å; L120-V133 HydrophobicContact CD1-CG1 3.88Å; E121-V133 HydrophobicContact CG-CB 4.33Å; E121-V133 HydrophobicContact CG-CG2 3.63Å; I130-V133 HydrophobicContact CG2-CG2 3.54Å; V133-V150 HydrophobicContact CG1-CG2 4.23Å; V133-V150 HydrophobicContact CG2-CG1 4.24Å; V133-V150 HydrophobicContact CG2-CG2 4.39Å |
| 134 | R | 87.1 | Confident | 83.6 | Confident | 144 Ų | 144 | 82.5 Ų | 82.5 | 54% | 0.543 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 104.1 | -178.8 | -176.2 | 174 | -178.2 | 171.9 | 0.2 | 111.2 | A148 Y149 | R134-A148 CarbonylContact O-C 3.57Å; R134-A148 VanDerWaalsContact O-CA 3.28Å; R134-A148 WeakPolarHBondContact O-CA 3.08Å; R134-Y149 PolarHBondContact N-O 2.65Å; R134-Y149 PolarHBondContact O-N 3.15Å |
| 135 | L | 87.1 | Confident | 83.3 | Confident | 32 Ų | 32 | 88.1 Ų | 88.1 | 17% | 0.168 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 126.5 | 173 | -172.1 | 68.8 | 0 | 0 | 0 | 110.5 | L111 I115 L120 M137 A148 | L111-L135 HydrophobicContact CD1-CD1 4.24Å; I115-L135 HydrophobicContact CG2-CD1 4Å; I115-L135 HydrophobicContact CG2-CD2 4.46Å; L120-L135 HydrophobicContact CD1-CD1 4.39Å; L135-M137 HydrophobicContact CD2-CG 4.48Å; L135-A148 HydrophobicContact CD1-CB 3.95Å |
| 136 | I | 84.9 | Confident | 83.1 | Confident | 46 Ų | 46 | 84.3 Ų | 84.3 | 24% | 0.236 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 123.6 | 173.9 | -54.8 | 178 | 0 | 0 | 0 | 109.1 | K145 I147 Y149 | I136-K145 HydrophobicContact CG2-CD 3.94Å; I136-K145 HydrophobicContact CG2-CG 4.38Å; I136-K145 PolarHBondContact O-N 2.84Å; I136-I147 HydrophobicContact CB-CD1 4.03Å; I136-I147 HydrophobicContact CB-CG1 3.62Å; I136-I147 HydrophobicContact CD1-CD1 3.52Å; I136-I147 HydrophobicContact CD1-CG1 3.71Å; I136-I147 HydrophobicContact CG1-CD1 4.26Å; I136-I147 HydrophobicContact CG1-CG1 3.98Å; I136-I147 HydrophobicContact CG2-CD1 4.3Å; I136-I147 HydrophobicContact CG2-CG1 4.37Å; I136-I147 PolarHBondContact N-O 2.84Å; I136-Y149 HydrophobicContact CD1-CD2 4.07Å; I136-Y149 HydrophobicContact CD1-CE2 3.47Å; I136-Y149 VanDerWaalsContact CD1-CE2 3.47Å; I136-Y149 HydrophobicContact CG1-CD2 4.42Å; I136-Y149 HydrophobicContact CG1-CE2 4.28Å |
| 137 | M | 83.4 | Confident | 83.2 | Confident | 104 Ų | 104 | 81.7 Ų | 81.7 | 51% | 0.512 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 152.2 | 174.8 | -60.6 | 178.1 | -69.7 | 0 | 0 | 109.9 | L135 R143 | L135-M137 HydrophobicContact CD2-CG 4.48Å; M137-R143 CarbonylContact C-O 3.49Å; M137-R143 WeakPolarHBondContact CA-O 3.29Å |
| 138 | D | 79.5 | Confident | 83.4 | Confident | 46 Ų | 46 | 80.6 Ų | 80.6 | 25% | 0.246 | 38% | 0.38 | C | S | . | . | trans | -74.3 | 130 | 172.6 | 177.2 | 32.4 | 0 | 0 | 0 | 110.4 | K140 T141 K142 R143 K145 | D138-K140 PolarHBondContact O-N 2.99Å; D138-T141 WeakPolarHBondContact CB-OG1 3.45Å; D138-T141 WeakPolarHBondContact OD2-CB 3.22Å; D138-T141 WeakPolarHBondContact OD2-CG2 3.46Å; D138-T141 PolarHBondContact OD2-N 2.82Å; D138-T141 PolarHBondContact OD2-OG1 2.97Å; D138-K142 VanDerWaalsContact O-CA 3.23Å; D138-K142 WeakPolarHBondContact O-CA 3.23Å; D138-K142 PolarHBondContact O-N 3.48Å; D138-R143 PolarHBondContact N-O 3.03Å; D138-K145 HydrophobicContact CB-CG 4.01Å | ||
| 139 | N | 78 | Confident | 83.6 | Confident | 157 Ų | 157 | 82.4 Ų | 82.4 | 84% | 0.84 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -28.4 | -174.6 | -73 | -3.9 | 0 | 0 | 0 | 112.1 | ||
| 140 | K | 76.4 | Confident | 83.6 | Confident | 197 Ų | 197 | 75.8 Ų | 75.8 | 86% | 0.857 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -48.6 | -178.5 | -63.7 | -176.6 | -179.5 | -179.2 | 0 | 111.7 | D138 | D138-K140 PolarHBondContact O-N 2.99Š|
| 141 | T | 80.6 | Confident | 83.7 | Confident | 89 Ų | 89 | 74.8 Ų | 74.8 | 55% | 0.546 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -10.7 | -173.4 | 61.2 | 0 | 0 | 0 | 0 | 114.4 | D138 R143 | D138-T141 WeakPolarHBondContact CB-OG1 3.45Å; D138-T141 WeakPolarHBondContact OD2-CB 3.22Å; D138-T141 WeakPolarHBondContact OD2-CG2 3.46Å; D138-T141 PolarHBondContact OD2-N 2.82Å; D138-T141 PolarHBondContact OD2-OG1 2.97Å; T141-R143 PolarHBondContact O-N 3.4Å; T141-R143 WeakPolarHBondContact OG1-CB 3.12Å; T141-R143 PolarHBondContact OG1-N 3.41Å |
| 142 | K | 74.1 | Confident | 83.9 | Confident | 182 Ų | 182 | 71.7 Ų | 71.7 | 79% | 0.791 | 34% | 0.336 | S | S | * | . | trans | 52.5 | 16.5 | -168.1 | -62.1 | -176.2 | 178.3 | 179.6 | 0 | 113.7 | D138 | D138-K142 VanDerWaalsContact O-CA 3.23Å; D138-K142 WeakPolarHBondContact O-CA 3.23Å; D138-K142 PolarHBondContact O-N 3.48Å | ||
| 143 | R | 76.5 | Confident | 84 | Confident | 165 Ų | 165 | 76.1 Ų | 76.1 | 62% | 0.623 | 35% | 0.347 | S | S | * | . | trans | -84.8 | 145.5 | 176.3 | -159.3 | 176.2 | -160.3 | 166.3 | 3.3 | 108.7 | M137 D138 T141 K145 | M137-R143 CarbonylContact C-O 3.49Å; M137-R143 WeakPolarHBondContact CA-O 3.29Å; D138-R143 PolarHBondContact N-O 3.03Å; T141-R143 PolarHBondContact O-N 3.4Å; T141-R143 WeakPolarHBondContact OG1-CB 3.12Å; T141-R143 PolarHBondContact OG1-N 3.41Å; R143-K145 PolarHBondContact O-N 3.15Å | ||
| 144 | S | 79.5 | Confident | 83.9 | Confident | 17 Ų | 17 | 80.8 Ų | 80.8 | 12% | 0.119 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 135 | 172.7 | 51.3 | 0 | 0 | 0 | 0 | 109.6 | A113 G146 | A113-S144 VanDerWaalsContact CA-OG 3.31Å; A113-S144 WeakPolarHBondContact CA-OG 3.48Å; A113-S144 PolarHBondContact O-OG 2.86Å; A113-S144 VanDerWaalsContact O-OG 3.07Å; S144-G146 PolarHBondContact O-N 3.15Å; S144-G146 VanDerWaalsContact O-N 3.16Å |
| 145 | K | 80.7 | Confident | 83.9 | Confident | 119 Ų | 119 | 76.6 Ų | 76.6 | 52% | 0.517 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 7.1 | 175.2 | -69.6 | -165.7 | -179.5 | -170.6 | 0 | 112.7 | I136 D138 R143 I147 | I136-K145 HydrophobicContact CG2-CD 3.94Å; I136-K145 HydrophobicContact CG2-CG 4.38Å; I136-K145 PolarHBondContact O-N 2.84Å; D138-K145 HydrophobicContact CB-CG 4.01Å; R143-K145 PolarHBondContact O-N 3.15Å; K145-I147 HydrophobicContact CB-CD1 4.32Å; K145-I147 HydrophobicContact CB-CG1 4.1Å; K145-I147 PolarHBondContact O-N 3.26Å |
| 146 | G | 83.8 | Confident | 83.9 | Confident | 10 Ų | 10 | 81.6 Ų | 81.6 | 10% | 0.103 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 69.1 | 16.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | W109 Q110 L111 S144 | W109-G146 CarbonylContact C-O 3.55Å; W109-G146 WeakPolarHBondContact CA-O 3.27Å; Q110-G146 PolarHBondContact N-O 2.72Å; L111-G146 PolarHBondContact N-O 3.43Å; L111-G146 WeakPolarHBondContact O-CA 3.32Å; S144-G146 PolarHBondContact O-N 3.15Å; S144-G146 VanDerWaalsContact O-N 3.16Å |
| 147 | I | 89.6 | Confident | 84.1 | Confident | 41 Ų | 41 | 79.7 Ų | 79.7 | 21% | 0.21 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 141.7 | 180 | 70.8 | -173.4 | 0 | 0 | 0 | 111.3 | F107 V108 W109 I136 K145 | F107-I147 HydrophobicContact CE2-CB 3.84Å; F107-I147 HydrophobicContact CE2-CD1 4.44Å; F107-I147 HydrophobicContact CE2-CG1 4.45Å; F107-I147 HydrophobicContact CE2-CG2 4.32Å; F107-I147 HydrophobicContact CZ-CB 3.98Å; F107-I147 HydrophobicContact CZ-CG2 3.93Å; V108-I147 CarbonylContact O-C 3.35Å; V108-I147 VanDerWaalsContact O-CA 3.27Å; V108-I147 WeakPolarHBondContact O-CA 3.37Å; W109-I147 HydrophobicContact CB-CB 4.47Å; W109-I147 HydrophobicContact CB-CG2 3.75Å; I136-I147 HydrophobicContact CB-CD1 4.03Å; I136-I147 HydrophobicContact CB-CG1 3.62Å; I136-I147 HydrophobicContact CD1-CD1 3.52Å; I136-I147 HydrophobicContact CD1-CG1 3.71Å; I136-I147 HydrophobicContact CG1-CD1 4.26Å; I136-I147 HydrophobicContact CG1-CG1 3.98Å; I136-I147 HydrophobicContact CG2-CD1 4.3Å; I136-I147 HydrophobicContact CG2-CG1 4.37Å; I136-I147 PolarHBondContact N-O 2.84Å; K145-I147 HydrophobicContact CB-CD1 4.32Å; K145-I147 HydrophobicContact CB-CG1 4.1Å; K145-I147 PolarHBondContact O-N 3.26Å |
| 148 | A | 89 | Confident | 84.2 | Confident | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 154.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111 | V108 L111 L120 R134 L135 | V108-A148 PolarHBondContact N-O 3.19Å; V108-A148 PolarHBondContact O-N 3.38Å; L111-A148 HydrophobicContact CD1-CB 3.58Å; L120-A148 HydrophobicContact CD1-CB 3.61Å; R134-A148 CarbonylContact O-C 3.57Å; R134-A148 VanDerWaalsContact O-CA 3.28Å; R134-A148 WeakPolarHBondContact O-CA 3.08Å; L135-A148 HydrophobicContact CD1-CB 3.95Å |
| 149 | Y | 90.6 | Very high | 84.5 | Confident | 55 Ų | 55 | 78.7 Ų | 78.7 | 22% | 0.216 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 130.7 | 166.2 | -65.4 | -84.4 | 0 | 0 | 0 | 108.6 | V106 F107 R134 I136 A181 | V106-Y149 WeakPolarHBondContact O-CA 3.11Å; F107-Y149 HydrophobicContact CB-CD1 4.29Å; F107-Y149 HydrophobicContact CB-CE1 4.11Å; F107-Y149 AromaticContact CD2-CD1 3.93Å; F107-Y149 HydrophobicContact CD2-CD1 3.93Å; F107-Y149 AromaticContact CD2-CE1 3.44Å; F107-Y149 HydrophobicContact CD2-CE1 3.44Å; F107-Y149 VanDerWaalsContact CD2-CE1 3.44Å; F107-Y149 HydrophobicContact CD2-CE2 4.29Å; F107-Y149 AromaticContact CD2-CZ 3.64Å; F107-Y149 HydrophobicContact CE2-CE1 4.25Å; F107-Y149 HydrophobicContact CE2-CE2 4.45Å; F107-Y149 AromaticContact CE2-CZ 3.98Å; F107-Y149 HydrophobicContact CG-CE1 4.15Å; R134-Y149 PolarHBondContact N-O 2.65Å; R134-Y149 PolarHBondContact O-N 3.15Å; I136-Y149 HydrophobicContact CD1-CD2 4.07Å; I136-Y149 HydrophobicContact CD1-CE2 3.47Å; I136-Y149 VanDerWaalsContact CD1-CE2 3.47Å; I136-Y149 HydrophobicContact CG1-CD2 4.42Å; I136-Y149 HydrophobicContact CG1-CE2 4.28Å; Y149-A181 HydrophobicContact CD1-CB 4.17Å; Y149-A181 HydrophobicContact CE1-CB 3.79Å |
| 150 | V | 89.9 | Confident | 85 | Confident | 0 Ų | 0 | 76.6 Ų | 76.6 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 121.4 | 178 | 178.5 | 0 | 0 | 0 | 0 | 107.5 | T105 V106 V108 F124 I130 V133 F152 | T105-V150 CarbonylContact C-O 3.54Å; T105-V150 VanDerWaalsContact CA-O 3.29Å; T105-V150 WeakPolarHBondContact CA-O 3.34Å; V106-V150 HydrophobicContact CG2-CB 3.75Å; V106-V150 HydrophobicContact CG2-CG1 4.44Å; V106-V150 PolarHBondContact N-O 3.33Å; V106-V150 PolarHBondContact O-N 3Å; V108-V150 HydrophobicContact CG2-CG2 4Å; F124-V150 HydrophobicContact CB-CG1 4.36Å; F124-V150 HydrophobicContact CD2-CB 4.43Å; F124-V150 HydrophobicContact CD2-CG1 4.05Å; F124-V150 HydrophobicContact CD2-CG2 3.85Å; F124-V150 HydrophobicContact CE2-CG2 3.82Å; F124-V150 HydrophobicContact CG-CG1 4.2Å; I130-V150 HydrophobicContact CG2-CG1 4.06Å; V133-V150 HydrophobicContact CG1-CG2 4.23Å; V133-V150 HydrophobicContact CG2-CG1 4.24Å; V133-V150 HydrophobicContact CG2-CG2 4.39Å; V150-F152 HydrophobicContact CG1-CE1 4.46Å; V150-F152 HydrophobicContact CG1-CE2 4.02Å; V150-F152 HydrophobicContact CG1-CZ 3.96Å |
| 151 | E | 88.9 | Confident | 85.5 | Confident | 20 Ų | 20 | 67.2 Ų | 67.2 | 9% | 0.093 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 124 | 177.8 | -172.1 | 168.2 | -162.2 | 0 | 0 | 110.2 | T105 I130 R131 D132 | T105-E151 HydrophobicContact CG2-CB 3.65Å; T105-E151 HydrophobicContact CG2-CG 3.6Å; I130-E151 CarbonylContact C-O 3.43Å; I130-E151 WeakPolarHBondContact CG2-O 3.43Å; R131-E151 HydrophobicContact CB-CB 4.28Å; R131-E151 HydrophobicContact CB-CG 3.99Å; R131-E151 IonicContact CZ-OE1 2.85Å; R131-E151 IonicContact CZ-OE2 3.4Å; R131-E151 PolarHBondContact N-O 2.83Å; R131-E151 IonicContact NE-OE1 3.47Å; R131-E151 PolarHBondContact NE-OE1 2.87Å; R131-E151 IonicContact NE-OE2 2.82Å; R131-E151 PolarHBondContact NE-OE2 2.82Å; R131-E151 IonicContact NH1-OE1 2.98Å; R131-E151 IonicContact NH2-OE1 3.23Å; R131-E151 PolarHBondContact NH2-OE1 3.46Å; R131-E151 IonicContact NH2-OE2 2.64Å; R131-E151 PolarHBondContact NH2-OE2 2.87Å; D132-E151 HydrophobicContact CB-CB 4.38Å; D132-E151 PolarHBondContact N-O 2.84Å; D132-E151 PolarHBondContact O-N 3.04Å |
| 152 | F | 90.3 | Very high | 85.8 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 158 | 174.5 | -67.2 | -81.8 | 0 | 0 | 0 | 111.8 | R104 V106 F124 I130 V150 E154 A158 A161 | R104-F152 WeakPolarHBondContact CB-O 3.27Å; R104-F152 PolarHBondContact O-N 3.23Å; V106-F152 HydrophobicContact CB-CE2 4.49Å; V106-F152 HydrophobicContact CG1-CD2 4.42Å; V106-F152 HydrophobicContact CG1-CE2 4.02Å; V106-F152 HydrophobicContact CG2-CD2 4.45Å; V106-F152 HydrophobicContact CG2-CE2 3.65Å; F124-F152 HydrophobicContact CB-CE1 4.01Å; F124-F152 HydrophobicContact CB-CZ 3.97Å; F124-F152 HydrophobicContact CD1-CE1 4.44Å; F124-F152 AromaticContact CD1-CZ 3.66Å; F124-F152 HydrophobicContact CD1-CZ 3.66Å; F124-F152 HydrophobicContact CE1-CZ 4.42Å; F124-F152 AromaticContact CG-CZ 3.99Å; F124-F152 HydrophobicContact CG-CZ 3.99Å; I130-F152 HydrophobicContact CG1-CD1 4.36Å; I130-F152 HydrophobicContact CG1-CE1 4.17Å; V150-F152 HydrophobicContact CG1-CE1 4.46Å; V150-F152 HydrophobicContact CG1-CE2 4.02Å; V150-F152 HydrophobicContact CG1-CZ 3.96Å; F152-E154 WeakPolarHBondContact CB-O 3.36Å; F152-A158 HydrophobicContact CD2-CB 3.9Å; F152-A161 HydrophobicContact CE2-CB 3.69Å; F152-A161 HydrophobicContact CZ-CB 3.66Å |
| 153 | R | 87.3 | Confident | 86.5 | Confident | 172 Ų | 172 | 59.6 Ų | 59.6 | 65% | 0.649 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -74.1 | -32.4 | 171.1 | -167.8 | 177.7 | -176.5 | 166.9 | -0.2 | 111.8 | K129 | K129-R153 HydrophobicContact CB-CB 4.15Å; K129-R153 WeakPolarHBondContact O-CB 3.32Å; K129-R153 PolarHBondContact O-N 3.39Å |
| 154 | E | 85.8 | Confident | 86.9 | Confident | 101 Ų | 101 | 53.9 Ų | 53.9 | 47% | 0.472 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -114.9 | 147.8 | -177.1 | -68.2 | 174.5 | -169.4 | 0 | 0 | 110.5 | F152 | F152-E154 WeakPolarHBondContact CB-O 3.36Š|
| 155 | V | 85.8 | Confident | 87.3 | Confident | 55 Ų | 55 | 55.7 Ų | 55.7 | 33% | 0.333 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -71.4 | -36.8 | 178.1 | -175.6 | 0 | 0 | 0 | 0 | 110.4 | R104 S157 A158 Q159 | R104-V155 HydrophobicContact CG-CB 4.29Å; R104-V155 HydrophobicContact CG-CG2 3.57Å; V155-S157 VanDerWaalsContact C-N 3.34Å; V155-S157 PolarHBondContact O-N 3.22Å; V155-A158 WeakPolarHBondContact O-CB 3.19Å; V155-A158 PolarHBondContact O-N 3.27Å; V155-A158 VanDerWaalsContact O-N 3.12Å; V155-Q159 PolarHBondContact O-N 2.87Å |
| 156 | E | 87.8 | Confident | 87.4 | Confident | 138 Ų | 138 | 52 Ų | 52 | 65% | 0.645 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -62.6 | -39.9 | 179.3 | -61.9 | -176.8 | 178.8 | 0 | 0 | 111.8 | A158 Q159 L160 | E156-A158 PolarHBondContact O-N 2.79Å; E156-Q159 PolarHBondContact O-N 3.06Å; E156-Q159 VanDerWaalsContact O-N 3.11Å; E156-L160 WeakPolarHBondContact O-CG 3.14Å; E156-L160 PolarHBondContact O-N 3.3Å |
| 157 | S | 88 | Confident | 87.6 | Confident | 5 Ų | 5 | 53.6 Ų | 53.6 | 4% | 0.035 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.1 | -33.7 | 175.2 | -52 | 0 | 0 | 0 | 0 | 112.6 | V127 V155 A161 | V127-S157 VanDerWaalsContact CG1-O 3.22Å; V127-S157 WeakPolarHBondContact CG1-O 3.47Å; V155-S157 VanDerWaalsContact C-N 3.34Å; V155-S157 PolarHBondContact O-N 3.22Å; S157-A161 WeakPolarHBondContact O-CB 3.41Å; S157-A161 PolarHBondContact O-N 3.26Å |
| 158 | A | 85.9 | Confident | 87.3 | Confident | 6 Ų | 6 | 60.8 Ų | 60.8 | 5% | 0.05 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67.8 | -37.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | V106 F152 V155 E156 A161 L162 | V106-A158 HydrophobicContact CG1-CB 3.94Å; F152-A158 HydrophobicContact CD2-CB 3.9Å; V155-A158 WeakPolarHBondContact O-CB 3.19Å; V155-A158 PolarHBondContact O-N 3.27Å; V155-A158 VanDerWaalsContact O-N 3.12Å; E156-A158 PolarHBondContact O-N 2.79Å; A158-A161 PolarHBondContact O-N 2.79Å; A158-L162 PolarHBondContact O-N 2.98Å |
| 159 | Q | 86.4 | Confident | 86.9 | Confident | 123 Ų | 123 | 61.6 Ų | 61.6 | 58% | 0.575 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -69.1 | -43.8 | 175.2 | -67.7 | 178.7 | -7.1 | 0 | 0 | 111.9 | V155 E156 A161 L162 | V155-Q159 PolarHBondContact O-N 2.87Å; E156-Q159 PolarHBondContact O-N 3.06Å; E156-Q159 VanDerWaalsContact O-N 3.11Å; Q159-A161 PolarHBondContact O-N 3.42Å; Q159-L162 WeakPolarHBondContact O-CB 3.3Å; Q159-L162 PolarHBondContact O-N 3.27Å |
| 160 | L | 87.5 | Confident | 86.4 | Confident | 113 Ų | 113 | 64 Ų | 64 | 59% | 0.592 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -61.5 | -34.5 | 175.3 | -68.3 | 174.8 | 0 | 0 | 0 | 111.8 | V127 E156 L162 G163 | V127-L160 HydrophobicContact CG1-CB 3.4Å; E156-L160 WeakPolarHBondContact O-CG 3.14Å; E156-L160 PolarHBondContact O-N 3.3Å; L160-L162 VanDerWaalsContact C-N 3.28Å; L160-L162 PolarHBondContact O-N 3.37Å; L160-G163 PolarHBondContact O-N 3.16Å; L160-G163 VanDerWaalsContact O-N 3.1Å |
| 161 | A | 87.9 | Confident | 86 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -64.9 | -31.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | V106 F124 V127 F152 S157 A158 Q159 G163 L164 I176 | V106-A161 HydrophobicContact CG1-CB 4.27Å; F124-A161 HydrophobicContact CD1-CB 4.14Å; F124-A161 HydrophobicContact CE1-CB 3.98Å; V127-A161 HydrophobicContact CG1-CB 4.1Å; F152-A161 HydrophobicContact CE2-CB 3.69Å; F152-A161 HydrophobicContact CZ-CB 3.66Å; S157-A161 WeakPolarHBondContact O-CB 3.41Å; S157-A161 PolarHBondContact O-N 3.26Å; A158-A161 PolarHBondContact O-N 2.79Å; Q159-A161 PolarHBondContact O-N 3.42Å; A161-G163 PolarHBondContact O-N 2.8Å; A161-L164 PolarHBondContact O-N 2.92Å; A161-I176 WeakPolarHBondContact O-CD1 3.4Å |
| 162 | L | 87 | Confident | 85.7 | Confident | 44 Ų | 44 | 67.5 Ų | 67.5 | 23% | 0.23 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60.9 | -31.4 | 174.5 | -61.8 | 166.4 | 0 | 0 | 0 | 111.8 | A158 Q159 L160 L164 T165 I176 Q178 | A158-L162 PolarHBondContact O-N 2.98Å; Q159-L162 WeakPolarHBondContact O-CB 3.3Å; Q159-L162 PolarHBondContact O-N 3.27Å; L160-L162 VanDerWaalsContact C-N 3.28Å; L160-L162 PolarHBondContact O-N 3.37Å; L162-L164 PolarHBondContact O-N 3.14Å; L162-T165 VanDerWaalsContact O-CB 3.32Å; L162-T165 WeakPolarHBondContact O-CB 3.49Å; L162-T165 PolarHBondContact O-N 3.18Å; L162-T165 PolarHBondContact O-OG1 3.01Å; L162-I176 HydrophobicContact CD2-CG2 4.2Å; L162-Q178 HydrophobicContact CD1-CG 3.64Å; L162-Q178 HydrophobicContact CD2-CG 4.02Å; L162-Q178 HydrophobicContact CG-CG 4.42Å |
| 163 | G | 87.6 | Confident | 85.6 | Confident | 68 Ų | 68 | 69.4 Ų | 69.4 | 70% | 0.701 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -16.9 | 176 | 0 | 0 | 0 | 0 | 0 | 114.2 | L160 A161 T165 | L160-G163 PolarHBondContact O-N 3.16Å; L160-G163 VanDerWaalsContact O-N 3.1Å; A161-G163 PolarHBondContact O-N 2.8Å; G163-T165 VanDerWaalsContact C-N 3.26Å; G163-T165 PolarHBondContact O-N 2.77Å |
| 164 | L | 85.4 | Confident | 85.7 | Confident | 45 Ų | 45 | 61.3 Ų | 61.3 | 24% | 0.236 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 5.6 | 175.4 | -62.9 | -170.1 | 0 | 0 | 0 | 113.5 | F123 V127 A161 L162 G166 T167 I176 | F123-L164 HydrophobicContact CE1-CB 4.2Å; F123-L164 HydrophobicContact CE1-CD1 3.68Å; F123-L164 HydrophobicContact CZ-CB 4.17Å; F123-L164 HydrophobicContact CZ-CD1 3.75Å; V127-L164 HydrophobicContact CG2-CD1 3.2Å; V127-L164 HydrophobicContact CG2-CG 4.04Å; A161-L164 PolarHBondContact O-N 2.92Å; L162-L164 PolarHBondContact O-N 3.14Å; L164-G166 PolarHBondContact O-N 3.39Å; L164-T167 HydrophobicContact CB-CG2 4.28Å; L164-T167 HydrophobicContact CD2-CG2 4.36Å; L164-T167 WeakPolarHBondContact O-CB 3.48Å; L164-T167 VanDerWaalsContact O-CG2 3.27Å; L164-T167 WeakPolarHBondContact O-CG2 3.4Å; L164-T167 PolarHBondContact O-N 3.45Å; L164-T167 PolarHBondContact O-OG1 3.16Å; L164-I176 HydrophobicContact CB-CD1 3.9Å |
| 165 | T | 88.4 | Confident | 85.9 | Confident | 55 Ų | 55 | 59.2 Ų | 59.2 | 34% | 0.337 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 130.6 | 174.6 | -62.1 | 0 | 0 | 0 | 0 | 110.8 | L162 G163 I176 | L162-T165 VanDerWaalsContact O-CB 3.32Å; L162-T165 WeakPolarHBondContact O-CB 3.49Å; L162-T165 PolarHBondContact O-N 3.18Å; L162-T165 PolarHBondContact O-OG1 3.01Å; G163-T165 VanDerWaalsContact C-N 3.26Å; G163-T165 PolarHBondContact O-N 2.77Å; T165-I176 WeakPolarHBondContact OG1-CB 3.43Å; T165-I176 PolarHBondContact OG1-N 2.91Å; T165-I176 PolarHBondContact OG1-O 3.13Å |
| 166 | G | 83.5 | Confident | 86.1 | Confident | 40 Ų | 40 | 57.1 Ų | 57.1 | 41% | 0.412 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.6 | -5.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115 | L164 I174 | L164-G166 PolarHBondContact O-N 3.39Å; G166-I174 PolarHBondContact N-O 3.34Å |
| 167 | T | 86 | Confident | 86.1 | Confident | 45 Ų | 45 | 55.3 Ų | 55.3 | 28% | 0.276 | 32% | 0.316 | S | S | . | . | trans | -66.4 | 139.1 | 173.8 | 53.2 | 0 | 0 | 0 | 0 | 110.8 | F123 L164 L169 P173 I174 | F123-T167 HydrophobicContact CZ-CG2 4.35Å; F123-T167 WeakPolarHBondContact CZ-OG1 3.46Å; L164-T167 HydrophobicContact CB-CG2 4.28Å; L164-T167 HydrophobicContact CD2-CG2 4.36Å; L164-T167 WeakPolarHBondContact O-CB 3.48Å; L164-T167 VanDerWaalsContact O-CG2 3.27Å; L164-T167 WeakPolarHBondContact O-CG2 3.4Å; L164-T167 PolarHBondContact O-N 3.45Å; L164-T167 PolarHBondContact O-OG1 3.16Å; T167-L169 PolarHBondContact O-N 3.38Å; T167-P173 WeakPolarHBondContact O-CA 3.3Å; T167-I174 WeakPolarHBondContact O-CG1 3.2Å; T167-I174 PolarHBondContact O-N 2.79Å; T167-I174 WeakPolarHBondContact OG1-CD1 3.4Å; T167-I174 WeakPolarHBondContact OG1-CG1 3.4Å | ||
| 168 | R | 84.2 | Confident | 86 | Confident | 192 Ų | 192 | 60.5 Ų | 60.5 | 73% | 0.725 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 113.6 | -177.1 | -70.2 | -179.6 | 179 | -116.3 | 7.4 | 110.6 | G171 V172 P173 | R168-G171 PolarHBondContact NH1-O 3.23Å; R168-V172 WeakPolarHBondContact CA-O 3.35Å; R168-P173 HydrophobicContact CG-CB 4.49Å |
| 169 | L | 81.6 | Confident | 85.3 | Confident | 16 Ų | 16 | 60.6 Ų | 60.6 | 8% | 0.084 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 119.2 | 172.8 | -165.6 | 150.6 | 0 | 0 | 0 | 108.9 | I115 F123 T167 G171 V172 I174 | I115-L169 HydrophobicContact CD1-CD1 4.43Å; I115-L169 HydrophobicContact CD1-CD2 3.29Å; I115-L169 HydrophobicContact CD1-CG 4.47Å; I115-L169 HydrophobicContact CG1-CD2 3.77Å; F123-L169 HydrophobicContact CB-CD1 3.64Å; F123-L169 HydrophobicContact CD1-CD1 4.18Å; F123-L169 HydrophobicContact CD2-CD1 3.74Å; F123-L169 HydrophobicContact CE2-CD1 4.49Å; F123-L169 HydrophobicContact CG-CD1 3.56Å; T167-L169 PolarHBondContact O-N 3.38Å; L169-G171 PolarHBondContact O-N 2.87Å; L169-V172 PolarHBondContact N-O 2.82Å; L169-V172 PolarHBondContact O-N 2.78Å; L169-I174 HydrophobicContact CB-CG2 3.56Å |
| 170 | L | 79.7 | Confident | 84.5 | Confident | 105 Ų | 105 | 59.6 Ų | 59.6 | 55% | 0.55 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53 | 35.3 | -171.8 | -60.1 | 171.9 | 0 | 0 | 0 | 113.4 | V172 | L170-V172 VanDerWaalsContact C-N 3.34Å; L170-V172 PolarHBondContact O-N 3.18Å |
| 171 | G | 80.2 | Confident | 83.1 | Confident | 48 Ų | 48 | 54.8 Ų | 54.8 | 50% | 0.495 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.4 | -10.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | R168 L169 | R168-G171 PolarHBondContact NH1-O 3.23Å; L169-G171 PolarHBondContact O-N 2.87Å |
| 172 | V | 84.1 | Confident | 81.8 | Confident | 46 Ų | 46 | 57.9 Ų | 57.9 | 28% | 0.279 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 129.1 | 179.6 | -173.9 | 0 | 0 | 0 | 0 | 109.5 | Q110 R168 L169 L170 I174 | Q110-V172 HydrophobicContact CG-CG1 4.2Å; Q110-V172 WeakPolarHBondContact O-CG1 3.36Å; R168-V172 WeakPolarHBondContact CA-O 3.35Å; L169-V172 PolarHBondContact N-O 2.82Å; L169-V172 PolarHBondContact O-N 2.78Å; L170-V172 VanDerWaalsContact C-N 3.34Å; L170-V172 PolarHBondContact O-N 3.18Å; V172-I174 PolarHBondContact O-N 2.89Å |
| 173 | P | 87.1 | Confident | 80.4 | Confident | 41 Ų | 41 | 63 Ų | 63 | 27% | 0.266 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 121.8 | 174.2 | 27.5 | -31.8 | 0 | 0 | 0 | 109.9 | Q110 T167 R168 | Q110-P173 PolarHBondContact NE2-O 3.02Å; T167-P173 WeakPolarHBondContact O-CA 3.3Å; R168-P173 HydrophobicContact CG-CB 4.49Å |
| 174 | I | 90.4 | Very high | 78.9 | Confident | 1 Ų | 1 | 64.7 Ų | 64.7 | 1% | 0.005 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -81.5 | 148 | 179.7 | 70.3 | -178.2 | 0 | 0 | 0 | 110.4 | V108 L111 F123 G166 T167 L169 V172 I176 | V108-I174 HydrophobicContact CG1-CB 4.41Å; L111-I174 HydrophobicContact CD2-CB 4.17Å; L111-I174 HydrophobicContact CD2-CG2 3.66Å; F123-I174 HydrophobicContact CD1-CD1 3.99Å; F123-I174 HydrophobicContact CE1-CD1 3.33Å; F123-I174 HydrophobicContact CZ-CD1 3.65Å; G166-I174 PolarHBondContact N-O 3.34Å; T167-I174 WeakPolarHBondContact O-CG1 3.2Å; T167-I174 PolarHBondContact O-N 2.79Å; T167-I174 WeakPolarHBondContact OG1-CD1 3.4Å; T167-I174 WeakPolarHBondContact OG1-CG1 3.4Å; L169-I174 HydrophobicContact CB-CG2 3.56Å; V172-I174 PolarHBondContact O-N 2.89Å; I174-I176 HydrophobicContact CD1-CD1 3.89Å; I174-I176 HydrophobicContact CD1-CG1 4.3Å; I174-I176 HydrophobicContact CG1-CD1 4.24Å; I174-I176 HydrophobicContact CG1-CG1 4.3Å |
| 175 | Q | 89.4 | Confident | 77.7 | Confident | 58 Ų | 58 | 68.6 Ų | 68.6 | 27% | 0.271 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 130 | 175.2 | -67.4 | -65.8 | -39.5 | 0 | 0 | 109.7 | V108 W109 Q110 | V108-Q175 CarbonylContact C-O 3.54Å; V108-Q175 VanDerWaalsContact CA-O 3.3Å; V108-Q175 WeakPolarHBondContact CA-O 2.92Å; W109-Q175 HydrophobicContact CD2-CB 4.36Å; W109-Q175 HydrophobicContact CG-CB 4.09Å; W109-Q175 PolarHBondContact N-O 2.9Å; W109-Q175 PolarHBondContact O-N 3.45Å; Q110-Q175 HydrophobicContact CB-CB 4.43Å; Q110-Q175 HydrophobicContact CB-CG 4.17Å |
| 176 | I | 90.4 | Very high | 76 | Confident | 10 Ų | 10 | 69.4 Ų | 69.4 | 5% | 0.051 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 127.5 | -174.5 | -52 | 165.8 | 0 | 0 | 0 | 108.6 | V106 F107 V108 F124 A161 L162 L164 T165 I174 | V106-I176 HydrophobicContact CB-CG2 3.84Å; V106-I176 HydrophobicContact CG1-CG2 4.3Å; V106-I176 HydrophobicContact CG2-CG2 4.06Å; F107-I176 WeakPolarHBondContact O-CA 3.22Å; V108-I176 HydrophobicContact CG1-CG1 4.16Å; V108-I176 HydrophobicContact CG2-CG1 4.33Å; V108-I176 HydrophobicContact CG2-CG2 4.4Å; F124-I176 HydrophobicContact CE1-CD1 3.68Å; F124-I176 HydrophobicContact CZ-CD1 3.72Å; F124-I176 HydrophobicContact CZ-CG1 4.18Å; A161-I176 WeakPolarHBondContact O-CD1 3.4Å; L162-I176 HydrophobicContact CD2-CG2 4.2Å; L164-I176 HydrophobicContact CB-CD1 3.9Å; T165-I176 WeakPolarHBondContact OG1-CB 3.43Å; T165-I176 PolarHBondContact OG1-N 2.91Å; T165-I176 PolarHBondContact OG1-O 3.13Å; I174-I176 HydrophobicContact CD1-CD1 3.89Å; I174-I176 HydrophobicContact CD1-CG1 4.3Å; I174-I176 HydrophobicContact CG1-CD1 4.24Å; I174-I176 HydrophobicContact CG1-CG1 4.3Å |
| 177 | Q | 87.6 | Confident | 74.4 | Confident | 101 Ų | 101 | 71.7 Ų | 71.7 | 47% | 0.472 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 157.4 | 179.4 | -169.6 | 172.2 | 0.1 | 0 | 0 | 109.7 | V106 F107 S179 | V106-Q177 CarbonylContact C-O 3.56Å; V106-Q177 WeakPolarHBondContact CA-O 3.33Å; F107-Q177 PolarHBondContact N-O 3.22Å; F107-Q177 PolarHBondContact O-N 2.76Å; Q177-S179 PolarHBondContact O-N 3.35Å |
| 178 | Q | 84.8 | Confident | 72.8 | Confident | 114 Ų | 114 | 73.2 Ų | 73.2 | 53% | 0.533 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 136.5 | 170.4 | -66.8 | 179.6 | 10.5 | 0 | 0 | 109.7 | L162 | L162-Q178 HydrophobicContact CD1-CG 3.64Å; L162-Q178 HydrophobicContact CD2-CG 4.02Å; L162-Q178 HydrophobicContact CG-CG 4.42Å |
| 179 | S | 72.5 | Confident | 71 | Confident | 8 Ų | 8 | 67 Ų | 67 | 6% | 0.056 | 37% | 0.366 | C | S | . | . | trans | -73 | 130.8 | -179.8 | 174.9 | 0 | 0 | 0 | 0 | 110.8 | T105 Q177 A181 | T105-S179 WeakPolarHBondContact O-CB 3.28Å; T105-S179 PolarHBondContact O-N 2.83Å; T105-S179 VanDerWaalsContact O-N 3.15Å; T105-S179 WeakPolarHBondContact OG1-CB 3.25Å; T105-S179 PolarHBondContact OG1-OG 2.94Å; Q177-S179 PolarHBondContact O-N 3.35Å; S179-A181 WeakPolarHBondContact OG-CB 3.16Å; S179-A181 PolarHBondContact OG-N 3.18Å; S179-A181 VanDerWaalsContact OG-N 3.16Å | ||
| 180 | H | 69.1 | Low | 69.3 | Low | 101 Ų | 101 | 72.7 Ų | 72.7 | 47% | 0.468 | 40% | 0.404 | S | S | . | . | trans | -107.8 | 33 | 164.7 | -64.4 | -56.2 | 0 | 0 | 0 | 110.7 | E182 K183 N184 | H180-E182 VanDerWaalsContact C-N 3.3Å; H180-E182 PolarHBondContact O-N 2.63Å; H180-K183 PolarHBondContact O-N 2.68Å; H180-N184 PolarHBondContact O-N 3.11Å | ||
| 181 | A | 58.6 | Low | 67.2 | Low | 13 Ų | 13 | 71.4 Ų | 71.4 | 11% | 0.107 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -60.9 | -34.1 | -170.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y149 S179 N184 R185 | Y149-A181 HydrophobicContact CD1-CB 4.17Å; Y149-A181 HydrophobicContact CE1-CB 3.79Å; S179-A181 WeakPolarHBondContact OG-CB 3.16Å; S179-A181 PolarHBondContact OG-N 3.18Å; S179-A181 VanDerWaalsContact OG-N 3.16Å; A181-N184 PolarHBondContact O-N 3.18Å; A181-R185 WeakPolarHBondContact O-CB 3.27Å; A181-R185 PolarHBondContact O-N 2.88Å |
| 182 | E | 61.3 | Low | 65.5 | Low | 64 Ų | 64 | 76.3 Ų | 76.3 | 30% | 0.299 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -72.2 | -40.3 | 179.1 | -164.4 | 57.6 | -148.8 | 0 | 0 | 111.6 | D102 H180 N184 R185 V186 | D102-E182 WeakPolarHBondContact OD2-CA 3.46Å; D102-E182 WeakPolarHBondContact OD2-CB 3.3Å; D102-E182 PolarHBondContact OD2-N 3.15Å; H180-E182 VanDerWaalsContact C-N 3.3Å; H180-E182 PolarHBondContact O-N 2.63Å; E182-N184 PolarHBondContact O-N 2.64Å; E182-R185 PolarHBondContact O-N 2.5Å; E182-V186 WeakPolarHBondContact O-CG2 3.24Å; E182-V186 PolarHBondContact O-N 3.06Å |
| 183 | K | 56.7 | Low | 63.3 | Low | 152 Ų | 152 | 80.2 Ų | 80.2 | 66% | 0.661 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -57.9 | -33.9 | 173 | -70.3 | -176.6 | 178.1 | -173.8 | 0 | 112.4 | H180 V186 S187 | H180-K183 PolarHBondContact O-N 2.68Å; K183-V186 WeakPolarHBondContact O-CG2 3.32Å; K183-S187 PolarHBondContact O-OG 3.13Å |
| 184 | N | 57 | Low | 60.9 | Low | 103 Ų | 103 | 84.5 Ų | 84.5 | 55% | 0.551 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -83.3 | -31 | 173.9 | -90.7 | -22.3 | 0 | 0 | 0 | 113.6 | H180 A181 E182 S187 A188 | H180-N184 PolarHBondContact O-N 3.11Å; A181-N184 PolarHBondContact O-N 3.18Å; E182-N184 PolarHBondContact O-N 2.64Å; N184-S187 PolarHBondContact O-N 3.21Å; N184-A188 WeakPolarHBondContact O-CB 3.41Å; N184-A188 PolarHBondContact O-N 3.25Å; N184-A188 VanDerWaalsContact O-N 3.13Å |
| 185 | R | 59.1 | Low | 58.2 | Low | 127 Ų | 127 | 90 Ų | 90 | 48% | 0.479 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -73.2 | -38.1 | 179.6 | -165.3 | 179.4 | -74.5 | -175.4 | 2.7 | 111.3 | A181 E182 S187 A188 T189 | A181-R185 WeakPolarHBondContact O-CB 3.27Å; A181-R185 PolarHBondContact O-N 2.88Å; E182-R185 PolarHBondContact O-N 2.5Å; R185-S187 PolarHBondContact O-N 3.26Å; R185-A188 PolarHBondContact O-N 2.68Å; R185-A188 VanDerWaalsContact O-N 3.13Å; R185-T189 PolarHBondContact O-N 2.8Å |
| 186 | V | 52.4 | Low | 55.9 | Low | 73 Ų | 73 | 90 Ų | 90 | 44% | 0.442 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.1 | -17.9 | 169.5 | -63.3 | 0 | 0 | 0 | 0 | 112.3 | E182 K183 R194 | E182-V186 WeakPolarHBondContact O-CG2 3.24Å; E182-V186 PolarHBondContact O-N 3.06Å; K183-V186 WeakPolarHBondContact O-CG2 3.32Å; V186-R194 PolarHBondContact O-NH1 2.97Å; V186-R194 PolarHBondContact O-NH2 2.82Å |
| 187 | S | 51 | Low | 53.6 | Low | 87 Ų | 87 | 98.5 Ų | 98.5 | 61% | 0.608 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -90.4 | -18.8 | 173.5 | -62.5 | 0 | 0 | 0 | 0 | 113.1 | K183 N184 R185 | K183-S187 PolarHBondContact O-OG 3.13Å; N184-S187 PolarHBondContact O-N 3.21Å; R185-S187 PolarHBondContact O-N 3.26Å |
| 188 | A | 52.8 | Low | 51.6 | Low | 77 Ų | 77 | 96.7 Ų | 96.7 | 64% | 0.636 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -111.5 | 5.2 | -171.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | N184 R185 P190 | N184-A188 WeakPolarHBondContact O-CB 3.41Å; N184-A188 PolarHBondContact O-N 3.25Å; N184-A188 VanDerWaalsContact O-N 3.13Å; R185-A188 PolarHBondContact O-N 2.68Å; R185-A188 VanDerWaalsContact O-N 3.13Å; A188-P190 VanDerWaalsContact O-CD 3.26Å; A188-P190 WeakPolarHBondContact O-CD 3.24Å |
| 189 | T | 46.1 | Very low | 49.8 | Very low | 61 Ų | 61 | 96 Ų | 96 | 37% | 0.374 | 53% | 0.529 | S | S | . | . | trans | -79.1 | 114.6 | 170 | 45.6 | 0 | 0 | 0 | 0 | 110.9 | R185 S191 R194 | R185-T189 PolarHBondContact O-N 2.8Å; T189-S191 PolarHBondContact O-N 3.26Å; T189-R194 PolarHBondContact O-NH2 3.07Å; T189-R194 PolarHBondContact OG1-NH2 2.79Å | ||
| 190 | P | 45.4 | Very low | 48.9 | Very low | 137 Ų | 137 | 105.5 Ų | 105.5 | 89% | 0.89 | 56% | 0.563 | S | S | * | * | trans | -90.4 | 37 | 173.8 | 38.2 | -30.9 | 0 | 0 | 0 | 111 | A188 | A188-P190 VanDerWaalsContact O-CD 3.26Å; A188-P190 WeakPolarHBondContact O-CD 3.24Å | ||
| 191 | S | 36.1 | Very low | 48.5 | Very low | 77 Ų | 77 | 102.1 Ų | 102.1 | 54% | 0.538 | 56% | 0.556 | S | S | . | * | trans | -139.6 | 129.9 | -175.6 | 50.9 | 0 | 0 | 0 | 0 | 112 | T189 | T189-S191 PolarHBondContact O-N 3.26Š| ||
| 192 | L | 43.9 | Very low | 49 | Very low | 151 Ų | 151 | 105.7 Ų | 105.7 | 79% | 0.791 | 58% | 0.578 | S | S | * | * | S | Bend | trans | 80.6 | 129.4 | -167.8 | -68.1 | 91.9 | 0 | 0 | 0 | 114.4 | R194 | L192-R194 VanDerWaalsContact C-N 3.29Å; L192-R194 PolarHBondContact O-N 3.19Å |
| 193 | P | 38 | Very low | 49.8 | Very low | 128 Ų | 128 | 103.8 Ų | 103.8 | 83% | 0.831 | 57% | 0.569 | S | S | * | * | trans | -62.1 | 103.8 | 166.8 | 28.6 | -28.8 | 0 | 0 | 0 | 104.9 | ||||
| 194 | R | 36 | Very low | 51.4 | Low | 131 Ų | 131 | 99.2 Ų | 99.2 | 49% | 0.494 | 55% | 0.549 | S | S | . | . | trans | -50.7 | 132.8 | 160 | -63.5 | 172 | -155.7 | -151.5 | -3.1 | 103.9 | V186 T189 L192 S196 | V186-R194 PolarHBondContact O-NH1 2.97Å; V186-R194 PolarHBondContact O-NH2 2.82Å; T189-R194 PolarHBondContact O-NH2 3.07Å; T189-R194 PolarHBondContact OG1-NH2 2.79Å; L192-R194 VanDerWaalsContact C-N 3.29Å; L192-R194 PolarHBondContact O-N 3.19Å; R194-S196 PolarHBondContact O-N 3.13Å | ||
| 195 | P | 35 | Very low | 53 | Low | 117 Ų | 117 | 94.3 Ų | 94.3 | 76% | 0.76 | 52% | 0.523 | S | S | * | . | trans | -56 | 106.9 | 147.9 | 28.5 | -26.3 | 0 | 0 | 0 | 101.4 | Q197 | P195-Q197 PolarHBondContact O-N 2.84Å; P195-Q197 VanDerWaalsContact O-N 3.11Å | ||
| 196 | S | 39.5 | Very low | 54.6 | Low | 59 Ų | 59 | 91.9 Ų | 91.9 | 41% | 0.413 | 51% | 0.514 | S | S | . | . | trans | -40 | 130.2 | 143.5 | 42 | 0 | 0 | 0 | 0 | 102.9 | R194 Q198 | R194-S196 PolarHBondContact O-N 3.13Å; S196-Q198 VanDerWaalsContact CB-N 3.31Å; S196-Q198 PolarHBondContact O-N 2.78Å; S196-Q198 WeakPolarHBondContact OG-CB 3.37Å; S196-Q198 VanDerWaalsContact OG-CD 3.31Å; S196-Q198 WeakPolarHBondContact OG-CG 3.41Å; S196-Q198 PolarHBondContact OG-OE1 2.91Å | ||
| 197 | Q | 43.7 | Very low | 56.5 | Low | 187 Ų | 187 | 88.4 Ų | 88.4 | 87% | 0.874 | 49% | 0.493 | S | S | * | . | trans | -62.4 | 56.8 | 145.1 | -77.5 | 171.7 | -23.4 | 0 | 0 | 106.7 | P195 N199 | P195-Q197 PolarHBondContact O-N 2.84Å; P195-Q197 VanDerWaalsContact O-N 3.11Å; Q197-N199 PolarHBondContact O-N 2.76Å | ||
| 198 | Q | 43.6 | Very low | 58.3 | Low | 64 Ų | 64 | 84.3 Ų | 84.3 | 30% | 0.299 | 47% | 0.465 | S | S | . | . | trans | -44.3 | 105.6 | 131.1 | -93.9 | 172.8 | -9.3 | 0 | 0 | 102.1 | S196 R200 D255 | S196-Q198 VanDerWaalsContact CB-N 3.31Å; S196-Q198 PolarHBondContact O-N 2.78Å; S196-Q198 WeakPolarHBondContact OG-CB 3.37Å; S196-Q198 VanDerWaalsContact OG-CD 3.31Å; S196-Q198 WeakPolarHBondContact OG-CG 3.41Å; S196-Q198 PolarHBondContact OG-OE1 2.91Å; Q198-R200 HydrophobicContact CB-CG 3.77Å; Q198-R200 PolarHBondContact O-N 2.82Å; Q198-D255 PolarHBondContact NE2-OD2 2.89Å | ||
| 199 | N | 48.9 | Very low | 60 | Low | 99 Ų | 99 | 81.9 Ų | 81.9 | 53% | 0.529 | 44% | 0.444 | S | S | . | . | trans | -51.4 | 75.6 | 157.1 | -84.4 | -13.2 | 0 | 0 | 0 | 107 | Q197 G201 S254 | Q197-N199 PolarHBondContact O-N 2.76Å; N199-G201 PolarHBondContact O-N 3.02Å; N199-S254 WeakPolarHBondContact O-CB 3.36Å; N199-S254 PolarHBondContact O-OG 3.34Å | ||
| 200 | R | 53 | Low | 62 | Low | 208 Ų | 208 | 79.1 Ų | 79.1 | 79% | 0.785 | 43% | 0.426 | S | S | * | . | trans | -73.2 | 21.2 | 174.5 | -69.9 | -164.5 | -177.7 | 178.3 | 0.3 | 111.2 | Q198 | Q198-R200 HydrophobicContact CB-CG 3.77Å; Q198-R200 PolarHBondContact O-N 2.82Å | ||
| 201 | G | 59.9 | Low | 63.9 | Low | 30 Ų | 30 | 75.4 Ų | 75.4 | 31% | 0.309 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -97.6 | 165.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | N199 M203 | N199-G201 PolarHBondContact O-N 3.02Å; G201-M203 PolarHBondContact O-N 3.47Å |
| 202 | P | 69.2 | Low | 66.2 | Low | 87 Ų | 87 | 76.9 Ų | 76.9 | 57% | 0.565 | 39% | 0.391 | S | S | * | . | trans | -57.4 | 132.4 | 174.1 | 25.9 | -33.9 | 0 | 0 | 0 | 109.3 | E230 T250 Y251 | P202-E230 WeakPolarHBondContact CB-OE2 3.31Å; P202-T250 HydrophobicContact CB-CG2 3.88Å; P202-Y251 WeakPolarHBondContact CA-O 3.34Å | ||
| 203 | M | 79.2 | Confident | 68.2 | Low | 24 Ų | 24 | 75.4 Ų | 75.4 | 12% | 0.118 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 121.9 | 179 | -176.4 | 167.7 | 177.9 | 0 | 0 | 108.9 | G201 L205 Y251 A257 K258 H278 | G201-M203 PolarHBondContact O-N 3.47Å; M203-L205 HydrophobicContact CE-CD2 4.23Å; M203-Y251 PolarHBondContact N-O 2.91Å; M203-Y251 PolarHBondContact O-N 3.35Å; M203-A257 HydrophobicContact CB-CB 3.64Å; M203-A257 HydrophobicContact CG-CB 3.73Å; M203-A257 HydrophobicContact SD-CB 3.87Å; M203-K258 HydrophobicContact SD-CG 4.22Å; M203-H278 HydrophobicContact CE-CB 3.61Å |
| 204 | K | 89.4 | Confident | 70.5 | Confident | 56 Ų | 56 | 69.6 Ų | 69.6 | 24% | 0.243 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 130.8 | 178.7 | -170 | 169.8 | 179.1 | 172.7 | 0 | 110.1 | F248 V249 V279 E281 | K204-F248 HydrophobicContact CG-CB 4.32Å; K204-F248 HydrophobicContact CG-CD1 4.35Å; K204-V249 CarbonylContact C-O 3.55Å; K204-V249 WeakPolarHBondContact CA-O 3.38Å; K204-V279 HydrophobicContact CB-CB 4.12Å; K204-V279 HydrophobicContact CD-CG1 4.41Å; K204-V279 HydrophobicContact CG-CB 4.15Å; K204-V279 HydrophobicContact CG-CG2 4.27Å; K204-V279 WeakPolarHBondContact O-CB 3.36Å; K204-V279 PolarHBondContact O-N 2.96Å; K204-E281 HydrophobicContact CD-CG 4.37Å; K204-E281 VanDerWaalsContact CD-OE1 3.27Å; K204-E281 WeakPolarHBondContact CD-OE1 3.43Å; K204-E281 IonicContact NZ-OE1 3.33Å; K204-E281 PolarHBondContact NZ-OE1 3.14Å |
| 205 | L | 91.1 | Very high | 72.9 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 137.3 | 176.3 | -59 | -177.2 | 0 | 0 | 0 | 109.1 | M203 F223 F248 V249 Y251 A257 A260 L261 V276 N277 | M203-L205 HydrophobicContact CE-CD2 4.23Å; L205-F223 HydrophobicContact CD1-CE1 4.23Å; L205-F248 CarbonylContact O-C 3.52Å; L205-F248 VanDerWaalsContact O-CA 3.25Å; L205-F248 WeakPolarHBondContact O-CA 3.44Å; L205-V249 PolarHBondContact N-O 3.21Å; L205-V249 PolarHBondContact O-N 3.42Å; L205-Y251 HydrophobicContact CD1-CD2 3.97Å; L205-Y251 HydrophobicContact CD1-CE2 3.68Å; L205-Y251 HydrophobicContact CG-CD2 4.42Å; L205-A257 HydrophobicContact CD1-CB 4.22Å; L205-A257 WeakPolarHBondContact CD1-O 3.4Å; L205-A257 HydrophobicContact CD2-CB 4.1Å; L205-A257 HydrophobicContact CG-CB 4.16Å; L205-A260 HydrophobicContact CD1-CB 4.04Å; L205-L261 HydrophobicContact CD2-CB 4.32Å; L205-L261 HydrophobicContact CD2-CD1 4.11Å; L205-V276 HydrophobicContact CB-CG1 4.19Å; L205-V276 HydrophobicContact CD1-CG1 4.06Å; L205-N277 CarbonylContact C-O 3.52Å; L205-N277 WeakPolarHBondContact CA-O 3.21Å |
| 206 | Y | 92.2 | Very high | 75.5 | Confident | 76 Ų | 76 | 65.3 Ų | 65.3 | 30% | 0.298 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 129.3 | 169.1 | 167.8 | -91.4 | 0 | 0 | 0 | 107.6 | Y246 F248 V276 N277 V279 | Y206-Y246 HydrophobicContact CD2-CD2 4.49Å; Y206-Y246 AromaticContact CE2-CD2 3.72Å; Y206-Y246 HydrophobicContact CE2-CD2 3.72Å; Y206-Y246 AromaticContact CE2-CG 3.98Å; Y206-Y246 HydrophobicContact CE2-CG 3.98Å; Y206-F248 HydrophobicContact CD2-CD1 4.41Å; Y206-F248 AromaticContact CD2-CE1 3.76Å; Y206-F248 HydrophobicContact CD2-CE1 3.76Å; Y206-F248 HydrophobicContact CD2-CZ 4.02Å; Y206-V276 CarbonylContact O-C 3.51Å; Y206-V276 WeakPolarHBondContact O-CA 3.49Å; Y206-N277 HydrophobicContact CD1-CB 4.26Å; Y206-N277 PolarHBondContact N-O 2.76Å; Y206-N277 PolarHBondContact O-N 3.4Å; Y206-V279 VanDerWaalsContact CB-CG2 3.46Å |
| 207 | I | 91.7 | Very high | 77.8 | Confident | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 108.9 | 179.1 | -52.7 | 162.4 | 0 | 0 | 0 | 106.6 | L210 L219 F223 Y246 G247 V249 M274 K275 V276 | I207-L210 HydrophobicContact CB-CD1 4.38Å; I207-L210 HydrophobicContact CG2-CD1 3.92Å; I207-L210 HydrophobicContact CG2-CD2 3.67Å; I207-L210 HydrophobicContact CG2-CG 3.9Å; I207-L219 HydrophobicContact CD1-CD2 4.4Å; I207-F223 HydrophobicContact CD1-CD1 4.48Å; I207-F223 HydrophobicContact CD1-CD2 4.3Å; I207-F223 HydrophobicContact CD1-CE1 3.75Å; I207-F223 HydrophobicContact CD1-CE2 3.52Å; I207-F223 HydrophobicContact CD1-CZ 3.21Å; I207-F223 HydrophobicContact CG1-CE1 4.19Å; I207-F223 HydrophobicContact CG1-CE2 4.35Å; I207-F223 HydrophobicContact CG1-CZ 3.65Å; I207-F223 HydrophobicContact CG2-CZ 4.44Å; I207-Y246 CarbonylContact O-C 3.54Å; I207-Y246 WeakPolarHBondContact O-CA 3.3Å; I207-Y246 WeakPolarHBondContact O-CB 3.42Å; I207-G247 PolarHBondContact N-O 2.74Å; I207-G247 PolarHBondContact O-N 3.5Å; I207-V249 HydrophobicContact CD1-CB 3.93Å; I207-V249 HydrophobicContact CD1-CG2 3.27Å; I207-M274 HydrophobicContact CG2-CB 4.44Å; I207-M274 HydrophobicContact CG2-SD 4.42Å; I207-K275 CarbonylContact C-O 3.57Å; I207-K275 WeakPolarHBondContact CA-O 3.46Å; I207-V276 HydrophobicContact CG2-CG2 4.5Å |
| 208 | G | 90.2 | Very high | 80 | Confident | 2 Ų | 2 | 66.1 Ų | 66.1 | 2% | 0.021 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 174.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L210 G245 K275 | G208-L210 VanDerWaalsContact C-N 3.26Å; G208-L210 PolarHBondContact O-N 3.33Å; G208-G245 CarbonylContact C-O 3.56Å; G208-K275 PolarHBondContact N-O 2.86Å; G208-K275 PolarHBondContact O-N 2.95Å |
| 209 | S | 87.8 | Confident | 82.2 | Confident | 26 Ų | 26 | 63 Ų | 63 | 18% | 0.182 | 31% | 0.31 | C | S | . | . | S | Bend | trans | 61.3 | 29.9 | 179.5 | -58 | 0 | 0 | 0 | 0 | 114.2 | G245 R272 P273 | S209-G245 PolarHBondContact N-O 2.77Å; S209-R272 VanDerWaalsContact O-CD 3.22Å; S209-R272 WeakPolarHBondContact O-CD 3.32Å; S209-R272 WeakPolarHBondContact O-CG 3.36Å; S209-P273 WeakPolarHBondContact CB-O 3.14Å |
| 210 | L | 88 | Confident | 84.2 | Confident | 2 Ų | 2 | 63.5 Ų | 63.5 | 1% | 0.01 | 31% | 0.307 | C | S | . | . | trans | -74.8 | 139 | 173.7 | -62.4 | 175.1 | 0 | 0 | 0 | 110.5 | I207 G208 I214 L219 L234 G245 L269 M274 | I207-L210 HydrophobicContact CB-CD1 4.38Å; I207-L210 HydrophobicContact CG2-CD1 3.92Å; I207-L210 HydrophobicContact CG2-CD2 3.67Å; I207-L210 HydrophobicContact CG2-CG 3.9Å; G208-L210 VanDerWaalsContact C-N 3.26Å; G208-L210 PolarHBondContact O-N 3.33Å; L210-I214 HydrophobicContact CB-CD1 3.99Å; L210-I214 HydrophobicContact CD2-CD1 3.9Å; L210-L219 HydrophobicContact CD1-CD1 3.89Å; L210-L219 HydrophobicContact CD1-CD2 4.08Å; L210-L219 HydrophobicContact CD2-CD2 3.94Å; L210-L234 HydrophobicContact CD1-CD1 3.89Å; L210-G245 PolarHBondContact N-O 2.83Å; L210-G245 VanDerWaalsContact O-CA 3.23Å; L210-G245 WeakPolarHBondContact O-CA 3.41Å; L210-L269 HydrophobicContact CD2-CD2 4.36Å; L210-M274 HydrophobicContact CD2-CB 4.2Å | ||
| 211 | H | 85.6 | Confident | 85.9 | Confident | 60 Ų | 60 | 55.2 Ų | 55.2 | 28% | 0.278 | 29% | 0.287 | S | S | . | . | trans | -64.6 | 147.1 | 168.8 | -167.3 | -91.7 | 0 | 0 | 0 | 111.5 | N213 I214 A270 | H211-N213 PolarHBondContact ND1-N 3.45Å; H211-N213 PolarHBondContact O-N 3.01Å; H211-N213 VanDerWaalsContact O-N 3.08Å; H211-I214 HydrophobicContact CB-CD1 3.84Å; H211-I214 HydrophobicContact CB-CG1 4.15Å; H211-I214 VanDerWaalsContact N-CD1 3.32Å; H211-I214 WeakPolarHBondContact O-CB 3.44Å; H211-I214 PolarHBondContact O-N 2.75Å; H211-I214 VanDerWaalsContact O-N 3.07Å; H211-A270 HydrophobicContact CB-CB 3.76Å | ||
| 212 | Y | 85.1 | Confident | 87.3 | Confident | 107 Ų | 107 | 54.2 Ų | 54.2 | 42% | 0.42 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -22.8 | -175 | -54.9 | -62.4 | 0 | 0 | 0 | 114.4 | R242 S243 | Y212-R242 HydrophobicContact CD1-CG 4.43Å; Y212-S243 WeakPolarHBondContact CD1-O 3.37Å; Y212-S243 PolarHBondContact O-OG 2.86Å |
| 213 | N | 84.8 | Confident | 88.4 | Confident | 121 Ų | 121 | 50 Ų | 50 | 65% | 0.647 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -5.6 | -179.3 | -62.7 | -1.7 | 0 | 0 | 0 | 113.6 | H211 T215 | H211-N213 PolarHBondContact ND1-N 3.45Å; H211-N213 PolarHBondContact O-N 3.01Å; H211-N213 VanDerWaalsContact O-N 3.08Å; N213-T215 PolarHBondContact O-N 3.3Å |
| 214 | I | 85.9 | Confident | 88.9 | Confident | 5 Ų | 5 | 54.3 Ų | 54.3 | 3% | 0.026 | 27% | 0.267 | C | S | . | . | trans | -74.6 | 128.5 | -179 | -66.3 | 164 | 0 | 0 | 0 | 109.3 | L210 H211 M218 L219 L234 L269 | L210-I214 HydrophobicContact CB-CD1 3.99Å; L210-I214 HydrophobicContact CD2-CD1 3.9Å; H211-I214 HydrophobicContact CB-CD1 3.84Å; H211-I214 HydrophobicContact CB-CG1 4.15Å; H211-I214 VanDerWaalsContact N-CD1 3.32Å; H211-I214 WeakPolarHBondContact O-CB 3.44Å; H211-I214 PolarHBondContact O-N 2.75Å; H211-I214 VanDerWaalsContact O-N 3.07Å; I214-M218 HydrophobicContact CG2-CB 4.27Å; I214-L219 HydrophobicContact CG2-CD2 4.2Å; I214-L219 HydrophobicContact CG2-CG 3.94Å; I214-L234 VanDerWaalsContact O-CD2 3.28Å; I214-L234 WeakPolarHBondContact O-CD2 3.23Å; I214-L269 HydrophobicContact CD1-CB 4.12Å; I214-L269 HydrophobicContact CD1-CD2 3.4Å; I214-L269 HydrophobicContact CD1-CG 3.52Å; I214-L269 HydrophobicContact CG1-CD2 4Å; I214-L269 HydrophobicContact CG1-CG 4.08Å; I214-L269 HydrophobicContact CG2-CD2 4.19Å | ||
| 215 | T | 87.8 | Confident | 89 | Confident | 60 Ų | 60 | 56.2 Ų | 56.2 | 37% | 0.368 | 29% | 0.285 | S | S | . | . | trans | -98 | 163.8 | 174.8 | 62.6 | 0 | 0 | 0 | 0 | 111.1 | N213 E217 M218 L219 | N213-T215 PolarHBondContact O-N 3.3Å; T215-E217 PolarHBondContact O-N 3.48Å; T215-M218 PolarHBondContact O-N 3.32Å; T215-M218 WeakPolarHBondContact OG1-CG 3.45Å; T215-L219 PolarHBondContact O-N 3.31Å | ||
| 216 | E | 88.6 | Confident | 88.8 | Confident | 99 Ų | 99 | 58.1 Ų | 58.1 | 46% | 0.463 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -58.6 | -36 | 175 | -164 | -175.1 | 132.9 | 0 | 0 | 112.2 | M218 L219 K220 I232 | E216-M218 PolarHBondContact O-N 3.38Å; E216-L219 PolarHBondContact O-N 3.47Å; E216-K220 PolarHBondContact O-N 3.45Å; E216-I232 HydrophobicContact CG-CB 3.81Å; E216-I232 HydrophobicContact CG-CG2 3.52Å |
| 217 | E | 89 | Confident | 88.6 | Confident | 161 Ų | 161 | 55.3 Ų | 55.3 | 75% | 0.752 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -64.3 | -38.3 | 177.7 | -168.2 | 175.5 | -167.2 | 0 | 0 | 112.4 | T215 K220 G221 | T215-E217 PolarHBondContact O-N 3.48Å; E217-K220 WeakPolarHBondContact O-CB 3.26Å; E217-K220 PolarHBondContact O-N 3.2Å; E217-G221 PolarHBondContact O-N 3.23Å |
| 218 | M | 88.7 | Confident | 88.5 | Confident | 101 Ų | 101 | 62.9 Ų | 62.9 | 50% | 0.498 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65.8 | -42.3 | 174 | -67.8 | 173.9 | 177.9 | 0 | 0 | 111.6 | I214 T215 E216 K220 G221 I222 | I214-M218 HydrophobicContact CG2-CB 4.27Å; T215-M218 PolarHBondContact O-N 3.32Å; T215-M218 WeakPolarHBondContact OG1-CG 3.45Å; E216-M218 PolarHBondContact O-N 3.38Å; M218-K220 VanDerWaalsContact C-N 3.32Å; M218-G221 PolarHBondContact O-N 3.37Å; M218-I222 WeakPolarHBondContact O-CD1 3.45Å; M218-I222 WeakPolarHBondContact O-CG1 3.43Å; M218-I222 PolarHBondContact O-N 2.82Å |
| 219 | L | 90 | Very high | 88.5 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.9 | -42.6 | 174.2 | -71.9 | 175.2 | 0 | 0 | 0 | 110.8 | I207 L210 I214 T215 E216 G221 I222 F223 I232 L234 | I207-L219 HydrophobicContact CD1-CD2 4.4Å; L210-L219 HydrophobicContact CD1-CD1 3.89Å; L210-L219 HydrophobicContact CD1-CD2 4.08Å; L210-L219 HydrophobicContact CD2-CD2 3.94Å; I214-L219 HydrophobicContact CG2-CD2 4.2Å; I214-L219 HydrophobicContact CG2-CG 3.94Å; T215-L219 PolarHBondContact O-N 3.31Å; E216-L219 PolarHBondContact O-N 3.47Å; L219-G221 PolarHBondContact O-N 3.31Å; L219-I222 PolarHBondContact O-N 3.39Å; L219-F223 HydrophobicContact CD2-CD2 4.48Å; L219-F223 HydrophobicContact CD2-CE2 4.06Å; L219-F223 WeakPolarHBondContact O-CB 3.18Å; L219-F223 VanDerWaalsContact O-CD2 3.25Å; L219-F223 WeakPolarHBondContact O-CD2 3.44Å; L219-F223 PolarHBondContact O-N 3.06Å; L219-I232 HydrophobicContact CB-CG2 4.39Å; L219-I232 HydrophobicContact CD1-CG2 4.39Å; L219-L234 HydrophobicContact CD1-CD1 4.24Å |
| 220 | K | 90.7 | Very high | 88.6 | Confident | 108 Ų | 108 | 69.1 Ų | 69.1 | 47% | 0.47 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -56.3 | -50.4 | 176.7 | -168 | -179.3 | 174.1 | -171.6 | 0 | 111.7 | E216 E217 M218 I222 F223 E224 I229 I232 | E216-K220 PolarHBondContact O-N 3.45Å; E217-K220 WeakPolarHBondContact O-CB 3.26Å; E217-K220 PolarHBondContact O-N 3.2Å; M218-K220 VanDerWaalsContact C-N 3.32Å; K220-I222 PolarHBondContact O-N 2.97Å; K220-F223 PolarHBondContact O-N 2.77Å; K220-E224 WeakPolarHBondContact O-CB 3.49Å; K220-E224 PolarHBondContact O-N 3.23Å; K220-I229 HydrophobicContact CG-CD1 4.38Å; K220-I232 HydrophobicContact CB-CD1 3.58Å; K220-I232 HydrophobicContact CG-CD1 3.9Å |
| 221 | G | 90.1 | Very high | 88.7 | Confident | 34 Ų | 34 | 73.5 Ų | 73.5 | 35% | 0.351 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.1 | -27.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | E217 M218 L219 P225 | E217-G221 PolarHBondContact O-N 3.23Å; M218-G221 PolarHBondContact O-N 3.37Å; L219-G221 PolarHBondContact O-N 3.31Å; G221-P225 WeakPolarHBondContact O-CD 3.48Å |
| 222 | I | 89.4 | Confident | 89 | Confident | 9 Ų | 9 | 71.2 Ų | 71.2 | 5% | 0.046 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -83.1 | -38.1 | 177.7 | -65 | 167.1 | 0 | 0 | 0 | 111.6 | M218 L219 K220 P225 F226 L264 L269 | M218-I222 WeakPolarHBondContact O-CD1 3.45Å; M218-I222 WeakPolarHBondContact O-CG1 3.43Å; M218-I222 PolarHBondContact O-N 2.82Å; L219-I222 PolarHBondContact O-N 3.39Å; K220-I222 PolarHBondContact O-N 2.97Å; I222-P225 WeakPolarHBondContact O-CD 3.46Å; I222-F226 WeakPolarHBondContact O-CD2 3.39Å; I222-F226 VanDerWaalsContact O-CE2 3.24Å; I222-F226 WeakPolarHBondContact O-CE2 3.38Å; I222-L264 HydrophobicContact CG2-CD1 4.07Å; I222-L264 HydrophobicContact CG2-CD2 3.61Å; I222-L269 HydrophobicContact CD1-CD1 3.58Å; I222-L269 HydrophobicContact CD1-CD2 3.54Å; I222-L269 HydrophobicContact CD1-CG 4.23Å |
| 223 | F | 90.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -88.5 | -24.4 | -174.6 | -80.2 | -100.3 | 0 | 0 | 0 | 113.1 | L205 I207 L219 K220 P225 F226 I229 V249 Y251 A260 L264 M274 V276 | L205-F223 HydrophobicContact CD1-CE1 4.23Å; I207-F223 HydrophobicContact CD1-CD1 4.48Å; I207-F223 HydrophobicContact CD1-CD2 4.3Å; I207-F223 HydrophobicContact CD1-CE1 3.75Å; I207-F223 HydrophobicContact CD1-CE2 3.52Å; I207-F223 HydrophobicContact CD1-CZ 3.21Å; I207-F223 HydrophobicContact CG1-CE1 4.19Å; I207-F223 HydrophobicContact CG1-CE2 4.35Å; I207-F223 HydrophobicContact CG1-CZ 3.65Å; I207-F223 HydrophobicContact CG2-CZ 4.44Å; L219-F223 HydrophobicContact CD2-CD2 4.48Å; L219-F223 HydrophobicContact CD2-CE2 4.06Å; L219-F223 WeakPolarHBondContact O-CB 3.18Å; L219-F223 VanDerWaalsContact O-CD2 3.25Å; L219-F223 WeakPolarHBondContact O-CD2 3.44Å; L219-F223 PolarHBondContact O-N 3.06Å; K220-F223 PolarHBondContact O-N 2.77Å; F223-P225 VanDerWaalsContact C-CD 3.48Å; F223-F226 PolarHBondContact O-N 3.37Å; F223-I229 HydrophobicContact CB-CD1 3.56Å; F223-I229 HydrophobicContact CB-CG1 4.39Å; F223-V249 HydrophobicContact CB-CG1 4.46Å; F223-V249 HydrophobicContact CD1-CB 4.42Å; F223-V249 HydrophobicContact CD1-CG1 4.05Å; F223-V249 HydrophobicContact CD1-CG2 4.43Å; F223-V249 HydrophobicContact CG-CG1 4.39Å; F223-V249 HydrophobicContact CG-CG2 4.43Å; F223-Y251 WeakPolarHBondContact CA-OH 3.46Å; F223-Y251 VanDerWaalsContact CB-OH 3.28Å; F223-Y251 WeakPolarHBondContact CB-OH 3.26Å; F223-Y251 AromaticContact CD1-CE2 3.92Å; F223-Y251 HydrophobicContact CD1-CE2 3.92Å; F223-Y251 VanDerWaalsContact CD1-OH 3.26Å; F223-Y251 WeakPolarHBondContact CD1-OH 3.28Å; F223-Y251 PolarHBondContact O-OH 2.93Å; F223-A260 HydrophobicContact CD1-CB 4.3Å; F223-A260 HydrophobicContact CE1-CB 4.49Å; F223-L264 HydrophobicContact CD1-CD1 3.58Å; F223-L264 HydrophobicContact CD2-CD1 3.89Å; F223-L264 HydrophobicContact CE1-CD1 3.41Å; F223-L264 VanDerWaalsContact CE1-CD1 3.41Å; F223-L264 HydrophobicContact CE2-CD1 3.74Å; F223-L264 HydrophobicContact CG-CD1 3.82Å; F223-L264 HydrophobicContact CZ-CB 4.44Å; F223-L264 HydrophobicContact CZ-CD1 3.48Å; F223-L264 VanDerWaalsContact CZ-CD1 3.48Å; F223-M274 HydrophobicContact CE2-SD 4.31Å; F223-M274 HydrophobicContact CZ-SD 4.35Å; F223-V276 HydrophobicContact CZ-CG2 4.2Å |
| 224 | E | 90.9 | Very high | 89.5 | Confident | 113 Ų | 113 | 66.9 Ų | 66.9 | 53% | 0.528 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -60.6 | -36.8 | -178.7 | -177.2 | 168 | -166.7 | 0 | 0 | 114.5 | K220 F226 G227 I229 | K220-E224 WeakPolarHBondContact O-CB 3.49Å; K220-E224 PolarHBondContact O-N 3.23Å; E224-F226 PolarHBondContact O-N 3.42Å; E224-G227 PolarHBondContact O-N 3.43Å; E224-I229 HydrophobicContact CB-CD1 4.42Å |
| 225 | P | 90.1 | Very high | 89.6 | Confident | 97 Ų | 97 | 68.3 Ų | 68.3 | 63% | 0.63 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -61.2 | -23 | 175.3 | -25.8 | 35.5 | 0 | 0 | 0 | 115 | G221 I222 F223 | G221-P225 WeakPolarHBondContact O-CD 3.48Å; I222-P225 WeakPolarHBondContact O-CD 3.46Å; F223-P225 VanDerWaalsContact C-CD 3.48Å |
| 226 | F | 88 | Confident | 89.6 | Confident | 40 Ų | 40 | 70.3 Ų | 70.3 | 18% | 0.175 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -86 | -22 | -178 | -61.9 | -81.5 | 0 | 0 | 0 | 113.2 | I222 F223 E224 D256 A260 Q263 L264 | I222-F226 WeakPolarHBondContact O-CD2 3.39Å; I222-F226 VanDerWaalsContact O-CE2 3.24Å; I222-F226 WeakPolarHBondContact O-CE2 3.38Å; F223-F226 PolarHBondContact O-N 3.37Å; E224-F226 PolarHBondContact O-N 3.42Å; F226-D256 WeakPolarHBondContact O-CB 3.36Å; F226-A260 HydrophobicContact CB-CB 3.8Å; F226-A260 HydrophobicContact CD1-CB 4.45Å; F226-A260 HydrophobicContact CD2-CB 4.32Å; F226-A260 HydrophobicContact CG-CB 3.93Å; F226-Q263 HydrophobicContact CE1-CB 3.57Å; F226-Q263 HydrophobicContact CE1-CG 4.1Å; F226-Q263 HydrophobicContact CZ-CB 3.97Å; F226-L264 HydrophobicContact CD2-CD1 3.84Å; F226-L264 HydrophobicContact CD2-CG 4.29Å; F226-L264 HydrophobicContact CE2-CD1 3.57Å; F226-L264 HydrophobicContact CE2-CD2 3.63Å; F226-L264 HydrophobicContact CE2-CG 3.61Å; F226-L264 HydrophobicContact CZ-CD1 4.29Å; F226-L264 HydrophobicContact CZ-CD2 3.83Å; F226-L264 HydrophobicContact CZ-CG 3.84Å |
| 227 | G | 87.7 | Confident | 89.4 | Confident | 16 Ų | 16 | 67.8 Ų | 67.8 | 17% | 0.165 | 34% | 0.339 | C | S | . | . | S | Bend | trans | 161.7 | -178.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | E224 I229 | E224-G227 PolarHBondContact O-N 3.43Å; G227-I229 PolarHBondContact O-N 3.48Å |
| 228 | K | 89.7 | Confident | 89 | Confident | 160 Ų | 160 | 65.2 Ų | 65.2 | 70% | 0.696 | 34% | 0.336 | S | S | * | . | trans | -75 | 119.9 | -178.2 | -68.1 | -175 | 179.6 | -176 | 0 | 110.8 | Y251 V252 | K228-Y251 WeakPolarHBondContact O-CD1 3.28Å; K228-V252 HydrophobicContact CB-CB 4.49Å; K228-V252 HydrophobicContact CB-CG2 4.13Å; K228-V252 PolarHBondContact O-N 3.39Å | ||
| 229 | I | 90.5 | Very high | 88.8 | Confident | 39 Ų | 39 | 65.9 Ų | 65.9 | 20% | 0.2 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 132.4 | 175.6 | -53.2 | 171.4 | 0 | 0 | 0 | 108.9 | K220 F223 E224 G227 I232 V249 T250 Y251 | K220-I229 HydrophobicContact CG-CD1 4.38Å; F223-I229 HydrophobicContact CB-CD1 3.56Å; F223-I229 HydrophobicContact CB-CG1 4.39Å; E224-I229 HydrophobicContact CB-CD1 4.42Å; G227-I229 PolarHBondContact O-N 3.48Å; I229-I232 HydrophobicContact CD1-CD1 3.85Å; I229-I232 HydrophobicContact CD1-CG1 4.48Å; I229-I232 HydrophobicContact CG2-CD1 3.99Å; I229-I232 HydrophobicContact CG2-CG1 3.49Å; I229-I232 VanDerWaalsContact CG2-CG1 3.49Å; I229-V249 HydrophobicContact CG1-CG1 4.41Å; I229-V249 HydrophobicContact CG2-CG1 3.9Å; I229-T250 WeakPolarHBondContact CG2-O 3.39Å; I229-Y251 HydrophobicContact CG1-CD1 4.38Å; I229-Y251 HydrophobicContact CG1-CE1 3.95Å |
| 230 | E | 89.9 | Confident | 88.4 | Confident | 120 Ų | 120 | 70 Ų | 70 | 56% | 0.561 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.4 | -45.7 | 175 | -173.9 | 177 | -177.6 | 0 | 0 | 111.5 | P202 T250 V252 | P202-E230 WeakPolarHBondContact CB-OE2 3.31Å; E230-T250 HydrophobicContact CB-CG2 4.22Å; E230-T250 PolarHBondContact N-O 2.99Å; E230-V252 HydrophobicContact CB-CG2 4.04Å |
| 231 | D | 90 | Very high | 87.8 | Confident | 93 Ų | 93 | 71 Ų | 71 | 50% | 0.497 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 148.1 | -179.1 | -171 | 33.8 | 0 | 0 | 0 | 111.4 | T250 | D231-T250 PolarHBondContact N-O 2.85Å; D231-T250 PolarHBondContact O-N 2.75Å |
| 232 | I | 90.6 | Very high | 87.3 | Confident | 12 Ų | 12 | 76.7 Ų | 76.7 | 6% | 0.062 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 124.2 | 174.1 | -53.1 | -179 | 0 | 0 | 0 | 108 | E216 L219 K220 I229 F248 V249 | E216-I232 HydrophobicContact CG-CB 3.81Å; E216-I232 HydrophobicContact CG-CG2 3.52Å; L219-I232 HydrophobicContact CB-CG2 4.39Å; L219-I232 HydrophobicContact CD1-CG2 4.39Å; K220-I232 HydrophobicContact CB-CD1 3.58Å; K220-I232 HydrophobicContact CG-CD1 3.9Å; I229-I232 HydrophobicContact CD1-CD1 3.85Å; I229-I232 HydrophobicContact CD1-CG1 4.48Å; I229-I232 HydrophobicContact CG2-CD1 3.99Å; I229-I232 HydrophobicContact CG2-CG1 3.49Å; I229-I232 VanDerWaalsContact CG2-CG1 3.49Å; I232-F248 WeakPolarHBondContact CA-O 3.25Å; I232-V249 HydrophobicContact CB-CG2 4.46Å; I232-V249 HydrophobicContact CG1-CG2 4.16Å; I232-V249 HydrophobicContact CG2-CG2 3.9Å |
| 233 | K | 90.1 | Very high | 86.9 | Confident | 121 Ų | 121 | 76.8 Ų | 76.8 | 53% | 0.526 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 103.6 | 179.4 | -171.6 | 174.3 | -176.3 | 173.2 | 0 | 110.8 | I235 G247 F248 | K233-I235 HydrophobicContact CD-CD1 4.1Å; K233-I235 HydrophobicContact CG-CD1 3.96Å; K233-G247 CarbonylContact O-C 3.57Å; K233-G247 WeakPolarHBondContact O-CA 3.42Å; K233-F248 PolarHBondContact N-O 2.92Å; K233-F248 PolarHBondContact O-N 2.94Å |
| 234 | L | 90.2 | Very high | 86.6 | Confident | 17 Ų | 17 | 80.9 Ų | 80.9 | 9% | 0.089 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 122.1 | 171.2 | -176.5 | 66.3 | 0 | 0 | 0 | 109.9 | L210 I214 L219 | L210-L234 HydrophobicContact CD1-CD1 3.89Å; I214-L234 VanDerWaalsContact O-CD2 3.28Å; I214-L234 WeakPolarHBondContact O-CD2 3.23Å; L219-L234 HydrophobicContact CD1-CD1 4.24Å |
| 235 | I | 88.8 | Confident | 86.3 | Confident | 34 Ų | 34 | 75.9 Ų | 75.9 | 17% | 0.174 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 122.2 | 179.4 | -55.5 | -60.3 | 0 | 0 | 0 | 109.5 | K233 Q244 Y246 F248 | K233-I235 HydrophobicContact CD-CD1 4.1Å; K233-I235 HydrophobicContact CG-CD1 3.96Å; I235-Q244 HydrophobicContact CG2-CG 4.28Å; I235-Q244 PolarHBondContact O-N 3.07Å; I235-Y246 HydrophobicContact CB-CD2 4.14Å; I235-Y246 HydrophobicContact CB-CE1 4.46Å; I235-Y246 HydrophobicContact CB-CE2 3.65Å; I235-Y246 HydrophobicContact CG1-CD2 4.05Å; I235-Y246 HydrophobicContact CG1-CE2 3.55Å; I235-Y246 HydrophobicContact CG2-CE1 4.41Å; I235-Y246 HydrophobicContact CG2-CE2 3.99Å; I235-Y246 WeakPolarHBondContact CG2-OH 3.39Å; I235-Y246 PolarHBondContact N-O 3.27Å; I235-F248 HydrophobicContact CD1-CD2 4.46Å; I235-F248 HydrophobicContact CD1-CE2 4.46Å; I235-F248 HydrophobicContact CG1-CD2 4.17Å; I235-F248 HydrophobicContact CG1-CE2 4.01Å |
| 236 | K | 87.6 | Confident | 86.3 | Confident | 102 Ų | 102 | 74.2 Ų | 74.2 | 44% | 0.443 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 149.2 | 176.8 | -54.8 | -178.4 | -178.6 | 175.6 | 0 | 109.1 | P238 R242 Q244 | K236-P238 WeakPolarHBondContact O-CD 3.34Å; K236-R242 CarbonylContact C-O 3.55Å; K236-R242 WeakPolarHBondContact CA-O 3.2Å; K236-Q244 PolarHBondContact O-NE2 3.37Å |
| 237 | D | 84.6 | Confident | 86.5 | Confident | 47 Ų | 47 | 72.3 Ų | 72.3 | 25% | 0.251 | 37% | 0.365 | S | S | . | . | trans | -64.4 | 120.5 | 171.5 | 175 | 1 | 0 | 0 | 0 | 108.2 | T239 T240 N241 R242 Q244 | D237-T239 PolarHBondContact O-N 2.89Å; D237-T239 PolarHBondContact OD1-N 3.41Å; D237-T239 PolarHBondContact OD1-OG1 2.93Å; D237-T239 PolarHBondContact OD2-OG1 3.43Å; D237-T240 WeakPolarHBondContact CB-OG1 3.08Å; D237-T240 VanDerWaalsContact CG-OG1 3.29Å; D237-T240 PolarHBondContact OD2-OG1 3.16Å; D237-N241 VanDerWaalsContact O-CA 3.24Å; D237-N241 WeakPolarHBondContact O-CA 3.48Å; D237-N241 PolarHBondContact O-N 3.07Å; D237-R242 PolarHBondContact N-O 3.22Å; D237-Q244 HydrophobicContact CB-CG 4.2Å | ||
| 238 | P | 80.4 | Confident | 86.7 | Confident | 107 Ų | 107 | 73.9 Ų | 73.9 | 70% | 0.695 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -19.9 | -176.8 | 26.4 | -35.5 | 0 | 0 | 0 | 113.3 | K236 | K236-P238 WeakPolarHBondContact O-CD 3.34Š|
| 239 | T | 84.2 | Confident | 86.8 | Confident | 115 Ų | 115 | 66.2 Ų | 66.2 | 71% | 0.706 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -44.8 | -177.5 | 61.2 | 0 | 0 | 0 | 0 | 112.6 | D237 | D237-T239 PolarHBondContact O-N 2.89Å; D237-T239 PolarHBondContact OD1-N 3.41Å; D237-T239 PolarHBondContact OD1-OG1 2.93Å; D237-T239 PolarHBondContact OD2-OG1 3.43Å |
| 240 | T | 83.1 | Confident | 86.8 | Confident | 87 Ų | 87 | 65.4 Ų | 65.4 | 53% | 0.534 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | -6.9 | -177 | 61.3 | 0 | 0 | 0 | 0 | 113.5 | D237 R242 | D237-T240 WeakPolarHBondContact CB-OG1 3.08Å; D237-T240 VanDerWaalsContact CG-OG1 3.29Å; D237-T240 PolarHBondContact OD2-OG1 3.16Å; T240-R242 PolarHBondContact O-N 2.97Å; T240-R242 WeakPolarHBondContact OG1-CB 3.36Å; T240-R242 PolarHBondContact OG1-N 3.37Å |
| 241 | N | 78 | Confident | 86.9 | Confident | 128 Ų | 128 | 59.7 Ų | 59.7 | 68% | 0.684 | 30% | 0.304 | S | S | * | . | trans | 53.4 | 14.9 | -168.8 | -77.2 | -62.9 | 0 | 0 | 0 | 114.3 | D237 | D237-N241 VanDerWaalsContact O-CA 3.24Å; D237-N241 WeakPolarHBondContact O-CA 3.48Å; D237-N241 PolarHBondContact O-N 3.07Å | ||
| 242 | R | 78.6 | Confident | 86.8 | Confident | 154 Ų | 154 | 58.5 Ų | 58.5 | 58% | 0.581 | 30% | 0.3 | S | S | * | . | trans | -86 | 139.3 | 179.8 | -159.5 | 175.9 | -152.1 | 166.4 | 6.4 | 109.5 | Y212 K236 D237 T240 Q244 | Y212-R242 HydrophobicContact CD1-CG 4.43Å; K236-R242 CarbonylContact C-O 3.55Å; K236-R242 WeakPolarHBondContact CA-O 3.2Å; D237-R242 PolarHBondContact N-O 3.22Å; T240-R242 PolarHBondContact O-N 2.97Å; T240-R242 WeakPolarHBondContact OG1-CB 3.36Å; T240-R242 PolarHBondContact OG1-N 3.37Å; R242-Q244 PolarHBondContact O-N 2.83Å | ||
| 243 | S | 81.7 | Confident | 86.6 | Confident | 11 Ų | 11 | 61.6 Ų | 61.6 | 8% | 0.077 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.7 | 134.5 | 176.1 | -55.3 | 0 | 0 | 0 | 0 | 110.8 | Y212 G245 | Y212-S243 WeakPolarHBondContact CD1-O 3.37Å; Y212-S243 PolarHBondContact O-OG 2.86Å; S243-G245 PolarHBondContact O-N 2.89Å |
| 244 | Q | 83.7 | Confident | 86.4 | Confident | 86 Ų | 86 | 55.9 Ų | 55.9 | 40% | 0.402 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | -0 | 176 | -63.2 | -170.3 | 24.6 | 0 | 0 | 112.4 | I235 K236 D237 R242 Y246 | I235-Q244 HydrophobicContact CG2-CG 4.28Å; I235-Q244 PolarHBondContact O-N 3.07Å; K236-Q244 PolarHBondContact O-NE2 3.37Å; D237-Q244 HydrophobicContact CB-CG 4.2Å; R242-Q244 PolarHBondContact O-N 2.83Å; Q244-Y246 HydrophobicContact CB-CD1 3.74Å; Q244-Y246 HydrophobicContact CB-CE1 3.4Å; Q244-Y246 HydrophobicContact CG-CE1 4.25Å; Q244-Y246 PolarHBondContact OE1-OH 2.95Å |
| 245 | G | 84.7 | Confident | 86.3 | Confident | 7 Ų | 7 | 58 Ų | 58 | 7% | 0.072 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 79.4 | 17.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | G208 S209 L210 S243 | G208-G245 CarbonylContact C-O 3.56Å; S209-G245 PolarHBondContact N-O 2.77Å; L210-G245 PolarHBondContact N-O 2.83Å; L210-G245 VanDerWaalsContact O-CA 3.23Å; L210-G245 WeakPolarHBondContact O-CA 3.41Å; S243-G245 PolarHBondContact O-N 2.89Å |
| 246 | Y | 90.5 | Very high | 86.3 | Confident | 63 Ų | 63 | 57.6 Ų | 57.6 | 25% | 0.247 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 158.3 | 169.7 | 69 | -84.9 | 0 | 0 | 0 | 112.8 | Y206 I207 I235 Q244 F248 | Y206-Y246 HydrophobicContact CD2-CD2 4.49Å; Y206-Y246 AromaticContact CE2-CD2 3.72Å; Y206-Y246 HydrophobicContact CE2-CD2 3.72Å; Y206-Y246 AromaticContact CE2-CG 3.98Å; Y206-Y246 HydrophobicContact CE2-CG 3.98Å; I207-Y246 CarbonylContact O-C 3.54Å; I207-Y246 WeakPolarHBondContact O-CA 3.3Å; I207-Y246 WeakPolarHBondContact O-CB 3.42Å; I235-Y246 HydrophobicContact CB-CD2 4.14Å; I235-Y246 HydrophobicContact CB-CE1 4.46Å; I235-Y246 HydrophobicContact CB-CE2 3.65Å; I235-Y246 HydrophobicContact CG1-CD2 4.05Å; I235-Y246 HydrophobicContact CG1-CE2 3.55Å; I235-Y246 HydrophobicContact CG2-CE1 4.41Å; I235-Y246 HydrophobicContact CG2-CE2 3.99Å; I235-Y246 WeakPolarHBondContact CG2-OH 3.39Å; I235-Y246 PolarHBondContact N-O 3.27Å; Q244-Y246 HydrophobicContact CB-CD1 3.74Å; Q244-Y246 HydrophobicContact CB-CE1 3.4Å; Q244-Y246 HydrophobicContact CG-CE1 4.25Å; Q244-Y246 PolarHBondContact OE1-OH 2.95Å; Y246-F248 HydrophobicContact CD2-CE2 4.26Å; Y246-F248 HydrophobicContact CE2-CE2 4.17Å |
| 247 | G | 91.2 | Very high | 86.4 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 176.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | I207 K233 | I207-G247 PolarHBondContact N-O 2.74Å; I207-G247 PolarHBondContact O-N 3.5Å; K233-G247 CarbonylContact O-C 3.57Å; K233-G247 WeakPolarHBondContact O-CA 3.42Å |
| 248 | F | 92.4 | Very high | 86.6 | Confident | 48 Ų | 48 | 54.8 Ų | 54.8 | 21% | 0.211 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 136.2 | 179.7 | -61.7 | -83.1 | 0 | 0 | 0 | 109.9 | K204 L205 Y206 I232 K233 I235 Y246 V279 | K204-F248 HydrophobicContact CG-CB 4.32Å; K204-F248 HydrophobicContact CG-CD1 4.35Å; L205-F248 CarbonylContact O-C 3.52Å; L205-F248 VanDerWaalsContact O-CA 3.25Å; L205-F248 WeakPolarHBondContact O-CA 3.44Å; Y206-F248 HydrophobicContact CD2-CD1 4.41Å; Y206-F248 AromaticContact CD2-CE1 3.76Å; Y206-F248 HydrophobicContact CD2-CE1 3.76Å; Y206-F248 HydrophobicContact CD2-CZ 4.02Å; I232-F248 WeakPolarHBondContact CA-O 3.25Å; K233-F248 PolarHBondContact N-O 2.92Å; K233-F248 PolarHBondContact O-N 2.94Å; I235-F248 HydrophobicContact CD1-CD2 4.46Å; I235-F248 HydrophobicContact CD1-CE2 4.46Å; I235-F248 HydrophobicContact CG1-CD2 4.17Å; I235-F248 HydrophobicContact CG1-CE2 4.01Å; Y246-F248 HydrophobicContact CD2-CE2 4.26Å; Y246-F248 HydrophobicContact CE2-CE2 4.17Å; F248-V279 HydrophobicContact CD1-CG2 3.85Å; F248-V279 HydrophobicContact CE1-CG2 3.88Å |
| 249 | V | 92.1 | Very high | 87 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 124 | 173.7 | 170.1 | 0 | 0 | 0 | 0 | 108.5 | K204 L205 I207 F223 I229 I232 Y251 | K204-V249 CarbonylContact C-O 3.55Å; K204-V249 WeakPolarHBondContact CA-O 3.38Å; L205-V249 PolarHBondContact N-O 3.21Å; L205-V249 PolarHBondContact O-N 3.42Å; I207-V249 HydrophobicContact CD1-CB 3.93Å; I207-V249 HydrophobicContact CD1-CG2 3.27Å; F223-V249 HydrophobicContact CB-CG1 4.46Å; F223-V249 HydrophobicContact CD1-CB 4.42Å; F223-V249 HydrophobicContact CD1-CG1 4.05Å; F223-V249 HydrophobicContact CD1-CG2 4.43Å; F223-V249 HydrophobicContact CG-CG1 4.39Å; F223-V249 HydrophobicContact CG-CG2 4.43Å; I229-V249 HydrophobicContact CG1-CG1 4.41Å; I229-V249 HydrophobicContact CG2-CG1 3.9Å; I232-V249 HydrophobicContact CB-CG2 4.46Å; I232-V249 HydrophobicContact CG1-CG2 4.16Å; I232-V249 HydrophobicContact CG2-CG2 3.9Å; V249-Y251 HydrophobicContact CG1-CD2 4.05Å; V249-Y251 HydrophobicContact CG1-CE2 3.77Å |
| 250 | T | 90.9 | Very high | 87.3 | Confident | 22 Ų | 22 | 49.4 Ų | 49.4 | 14% | 0.135 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 121.8 | 177.3 | -53.6 | 0 | 0 | 0 | 0 | 108.9 | P202 I229 E230 D231 | P202-T250 HydrophobicContact CB-CG2 3.88Å; I229-T250 WeakPolarHBondContact CG2-O 3.39Å; E230-T250 HydrophobicContact CB-CG2 4.22Å; E230-T250 PolarHBondContact N-O 2.99Å; D231-T250 PolarHBondContact N-O 2.85Å; D231-T250 PolarHBondContact O-N 2.75Å |
| 251 | Y | 91.6 | Very high | 87.6 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 147.5 | 172.3 | -80.4 | -88.3 | 0 | 0 | 0 | 111.2 | P202 M203 L205 F223 K228 I229 V249 N253 D256 A257 A260 | P202-Y251 WeakPolarHBondContact CA-O 3.34Å; M203-Y251 PolarHBondContact N-O 2.91Å; M203-Y251 PolarHBondContact O-N 3.35Å; L205-Y251 HydrophobicContact CD1-CD2 3.97Å; L205-Y251 HydrophobicContact CD1-CE2 3.68Å; L205-Y251 HydrophobicContact CG-CD2 4.42Å; F223-Y251 WeakPolarHBondContact CA-OH 3.46Å; F223-Y251 VanDerWaalsContact CB-OH 3.28Å; F223-Y251 WeakPolarHBondContact CB-OH 3.26Å; F223-Y251 AromaticContact CD1-CE2 3.92Å; F223-Y251 HydrophobicContact CD1-CE2 3.92Å; F223-Y251 VanDerWaalsContact CD1-OH 3.26Å; F223-Y251 WeakPolarHBondContact CD1-OH 3.28Å; F223-Y251 PolarHBondContact O-OH 2.93Å; K228-Y251 WeakPolarHBondContact O-CD1 3.28Å; I229-Y251 HydrophobicContact CG1-CD1 4.38Å; I229-Y251 HydrophobicContact CG1-CE1 3.95Å; V249-Y251 HydrophobicContact CG1-CD2 4.05Å; V249-Y251 HydrophobicContact CG1-CE2 3.77Å; Y251-N253 VanDerWaalsContact C-N 3.27Å; Y251-N253 WeakPolarHBondContact CB-O 3.47Å; Y251-N253 PolarHBondContact O-N 3.48Å; Y251-D256 HydrophobicContact CD1-CB 3.98Å; Y251-D256 HydrophobicContact CE1-CB 4.41Å; Y251-A257 HydrophobicContact CD2-CB 3.71Å; Y251-A257 HydrophobicContact CG-CB 4.05Å; Y251-A260 HydrophobicContact CE2-CB 3.8Å; Y251-A260 WeakPolarHBondContact OH-CB 3.47Å |
| 252 | V | 88.2 | Confident | 88.1 | Confident | 68 Ų | 68 | 46.9 Ų | 46.9 | 41% | 0.412 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -62.5 | -37.4 | 172.7 | 179.9 | 0 | 0 | 0 | 0 | 111.1 | K228 E230 | K228-V252 HydrophobicContact CB-CB 4.49Å; K228-V252 HydrophobicContact CB-CG2 4.13Å; K228-V252 PolarHBondContact O-N 3.39Å; E230-V252 HydrophobicContact CB-CG2 4.04Å |
| 253 | N | 86.1 | Confident | 88.6 | Confident | 76 Ų | 76 | 45.8 Ų | 45.8 | 41% | 0.406 | 23% | 0.227 | S | C | . | . | trans | -114.9 | 134 | -179.8 | -56.9 | -40.1 | 0 | 0 | 0 | 110.8 | Y251 D255 D256 A257 | Y251-N253 VanDerWaalsContact C-N 3.27Å; Y251-N253 WeakPolarHBondContact CB-O 3.47Å; Y251-N253 PolarHBondContact O-N 3.48Å; N253-D255 VanDerWaalsContact C-N 3.31Å; N253-D255 PolarHBondContact O-N 3.04Å; N253-D256 HydrophobicContact CB-CB 4.24Å; N253-D256 WeakPolarHBondContact CB-OD2 3.35Å; N253-D256 PolarHBondContact ND2-OD2 3.37Å; N253-D256 PolarHBondContact O-N 3.13Å; N253-A257 PolarHBondContact O-N 3.18Å | ||
| 254 | S | 86.7 | Confident | 88.9 | Confident | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.007 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.9 | -28.1 | 172.9 | 70.6 | 0 | 0 | 0 | 0 | 114.4 | N199 D256 A257 K258 | N199-S254 WeakPolarHBondContact O-CB 3.36Å; N199-S254 PolarHBondContact O-OG 3.34Å; S254-D256 PolarHBondContact O-N 3.36Å; S254-A257 WeakPolarHBondContact O-CB 3.34Å; S254-A257 PolarHBondContact O-N 3.41Å; S254-K258 WeakPolarHBondContact O-CG 3.47Å; S254-K258 PolarHBondContact O-N 3.24Å |
| 255 | D | 87.2 | Confident | 89.1 | Confident | 62 Ų | 62 | 45.4 Ų | 45.4 | 33% | 0.332 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -64.1 | -36.2 | 178.4 | -68.4 | -49.9 | 0 | 0 | 0 | 110.6 | Q198 N253 K259 | Q198-D255 PolarHBondContact NE2-OD2 2.89Å; N253-D255 VanDerWaalsContact C-N 3.31Å; N253-D255 PolarHBondContact O-N 3.04Å; D255-K259 WeakPolarHBondContact O-CG 3.16Å; D255-K259 PolarHBondContact O-N 3.23Å |
| 256 | D | 89.4 | Confident | 89.2 | Confident | 25 Ų | 25 | 47.1 Ų | 47.1 | 13% | 0.134 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -72.3 | -40.6 | 175.9 | -63.2 | -20.4 | 0 | 0 | 0 | 110.8 | F226 Y251 N253 S254 K258 K259 A260 | F226-D256 WeakPolarHBondContact O-CB 3.36Å; Y251-D256 HydrophobicContact CD1-CB 3.98Å; Y251-D256 HydrophobicContact CE1-CB 4.41Å; N253-D256 HydrophobicContact CB-CB 4.24Å; N253-D256 WeakPolarHBondContact CB-OD2 3.35Å; N253-D256 PolarHBondContact ND2-OD2 3.37Å; N253-D256 PolarHBondContact O-N 3.13Å; S254-D256 PolarHBondContact O-N 3.36Å; D256-K258 VanDerWaalsContact C-N 3.33Å; D256-K258 PolarHBondContact O-N 3.48Å; D256-K259 PolarHBondContact O-N 3.28Å; D256-K259 IonicContact OD1-NZ 3.85Å; D256-A260 WeakPolarHBondContact O-CB 3.06Å; D256-A260 PolarHBondContact O-N 3.05Å |
| 257 | A | 89 | Confident | 89.1 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.7 | -39.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | M203 L205 Y251 N253 S254 A260 L261 | M203-A257 HydrophobicContact CB-CB 3.64Å; M203-A257 HydrophobicContact CG-CB 3.73Å; M203-A257 HydrophobicContact SD-CB 3.87Å; L205-A257 HydrophobicContact CD1-CB 4.22Å; L205-A257 WeakPolarHBondContact CD1-O 3.4Å; L205-A257 HydrophobicContact CD2-CB 4.1Å; L205-A257 HydrophobicContact CG-CB 4.16Å; Y251-A257 HydrophobicContact CD2-CB 3.71Å; Y251-A257 HydrophobicContact CG-CB 4.05Å; N253-A257 PolarHBondContact O-N 3.18Å; S254-A257 WeakPolarHBondContact O-CB 3.34Å; S254-A257 PolarHBondContact O-N 3.41Å; A257-A260 PolarHBondContact O-N 3.32Å; A257-L261 WeakPolarHBondContact O-CB 3.23Å; A257-L261 PolarHBondContact O-N 3.25Å |
| 258 | K | 88.5 | Confident | 88.8 | Confident | 91 Ų | 91 | 52.5 Ų | 52.5 | 40% | 0.396 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65.6 | -43.9 | 176.7 | -75.2 | 177.5 | -178.6 | 179.5 | 0 | 111.8 | M203 S254 D256 A260 L261 D262 | M203-K258 HydrophobicContact SD-CG 4.22Å; S254-K258 WeakPolarHBondContact O-CG 3.47Å; S254-K258 PolarHBondContact O-N 3.24Å; D256-K258 VanDerWaalsContact C-N 3.33Å; D256-K258 PolarHBondContact O-N 3.48Å; K258-A260 VanDerWaalsContact C-N 3.32Å; K258-A260 PolarHBondContact O-N 3.35Å; K258-L261 PolarHBondContact O-N 3.22Å; K258-D262 PolarHBondContact O-N 3.43Å |
| 259 | K | 89.4 | Confident | 88.4 | Confident | 109 Ų | 109 | 51 Ų | 51 | 47% | 0.474 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.4 | -43 | 174.7 | -69.6 | 169.4 | -171.1 | 167.1 | 0 | 111.6 | D255 D256 Q263 | D255-K259 WeakPolarHBondContact O-CG 3.16Å; D255-K259 PolarHBondContact O-N 3.23Å; D256-K259 PolarHBondContact O-N 3.28Å; D256-K259 IonicContact OD1-NZ 3.85Å; K259-Q263 WeakPolarHBondContact O-CB 3.38Å; K259-Q263 WeakPolarHBondContact O-CG 3.47Å; K259-Q263 PolarHBondContact O-N 2.68Å; K259-Q263 VanDerWaalsContact O-N 3.14Å |
| 260 | A | 90.5 | Very high | 87.9 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.3 | -43.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | L205 F223 F226 Y251 D256 A257 K258 Q263 L264 | L205-A260 HydrophobicContact CD1-CB 4.04Å; F223-A260 HydrophobicContact CD1-CB 4.3Å; F223-A260 HydrophobicContact CE1-CB 4.49Å; F226-A260 HydrophobicContact CB-CB 3.8Å; F226-A260 HydrophobicContact CD1-CB 4.45Å; F226-A260 HydrophobicContact CD2-CB 4.32Å; F226-A260 HydrophobicContact CG-CB 3.93Å; Y251-A260 HydrophobicContact CE2-CB 3.8Å; Y251-A260 WeakPolarHBondContact OH-CB 3.47Å; D256-A260 WeakPolarHBondContact O-CB 3.06Å; D256-A260 PolarHBondContact O-N 3.05Å; A257-A260 PolarHBondContact O-N 3.32Å; K258-A260 VanDerWaalsContact C-N 3.32Å; K258-A260 PolarHBondContact O-N 3.35Å; A260-Q263 PolarHBondContact O-N 2.88Å; A260-L264 HydrophobicContact CB-CD1 4.28Å; A260-L264 WeakPolarHBondContact O-CB 3.2Å; A260-L264 WeakPolarHBondContact O-CG 3.44Å; A260-L264 PolarHBondContact O-N 3.25Å |
| 261 | L | 90.1 | Very high | 87.4 | Confident | 34 Ų | 34 | 56.4 Ų | 56.4 | 18% | 0.178 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.3 | -49.7 | 176.8 | -175.7 | 153.5 | 0 | 0 | 0 | 111.6 | L205 A257 K258 Q263 N265 V276 H278 | L205-L261 HydrophobicContact CD2-CB 4.32Å; L205-L261 HydrophobicContact CD2-CD1 4.11Å; A257-L261 WeakPolarHBondContact O-CB 3.23Å; A257-L261 PolarHBondContact O-N 3.25Å; K258-L261 PolarHBondContact O-N 3.22Å; L261-Q263 VanDerWaalsContact C-N 3.33Å; L261-Q263 PolarHBondContact O-N 2.95Å; L261-N265 WeakPolarHBondContact O-CB 3.39Å; L261-N265 PolarHBondContact O-N 3.18Å; L261-N265 VanDerWaalsContact O-N 3.14Å; L261-V276 HydrophobicContact CB-CG1 4.32Å; L261-V276 HydrophobicContact CG-CG1 4.36Å; L261-H278 HydrophobicContact CD1-CB 4.17Å |
| 262 | D | 88.6 | Confident | 87 | Confident | 128 Ų | 128 | 61.4 Ų | 61.4 | 68% | 0.684 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -67.3 | -33.1 | -176.7 | -71.9 | -22.6 | 0 | 0 | 0 | 112.7 | K258 | K258-D262 PolarHBondContact O-N 3.43Å |
| 263 | Q | 87.8 | Confident | 86.9 | Confident | 130 Ų | 130 | 61.1 Ų | 61.1 | 61% | 0.607 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -93 | -30.9 | -175.6 | -67.6 | -174.1 | 49.8 | 0 | 0 | 114.1 | F226 K259 A260 L261 | F226-Q263 HydrophobicContact CE1-CB 3.57Å; F226-Q263 HydrophobicContact CE1-CG 4.1Å; F226-Q263 HydrophobicContact CZ-CB 3.97Å; K259-Q263 WeakPolarHBondContact O-CB 3.38Å; K259-Q263 WeakPolarHBondContact O-CG 3.47Å; K259-Q263 PolarHBondContact O-N 2.68Å; K259-Q263 VanDerWaalsContact O-N 3.14Å; A260-Q263 PolarHBondContact O-N 2.88Å; L261-Q263 VanDerWaalsContact C-N 3.33Å; L261-Q263 PolarHBondContact O-N 2.95Å |
| 264 | L | 88.2 | Confident | 87 | Confident | 6 Ų | 6 | 57.6 Ų | 57.6 | 3% | 0.031 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -95.7 | -14.8 | -177.5 | -63.2 | 175.1 | 0 | 0 | 0 | 113.3 | I222 F223 F226 A260 G266 F267 M274 V276 | I222-L264 HydrophobicContact CG2-CD1 4.07Å; I222-L264 HydrophobicContact CG2-CD2 3.61Å; F223-L264 HydrophobicContact CD1-CD1 3.58Å; F223-L264 HydrophobicContact CD2-CD1 3.89Å; F223-L264 HydrophobicContact CE1-CD1 3.41Å; F223-L264 VanDerWaalsContact CE1-CD1 3.41Å; F223-L264 HydrophobicContact CE2-CD1 3.74Å; F223-L264 HydrophobicContact CG-CD1 3.82Å; F223-L264 HydrophobicContact CZ-CB 4.44Å; F223-L264 HydrophobicContact CZ-CD1 3.48Å; F223-L264 VanDerWaalsContact CZ-CD1 3.48Å; F226-L264 HydrophobicContact CD2-CD1 3.84Å; F226-L264 HydrophobicContact CD2-CG 4.29Å; F226-L264 HydrophobicContact CE2-CD1 3.57Å; F226-L264 HydrophobicContact CE2-CD2 3.63Å; F226-L264 HydrophobicContact CE2-CG 3.61Å; F226-L264 HydrophobicContact CZ-CD1 4.29Å; F226-L264 HydrophobicContact CZ-CD2 3.83Å; F226-L264 HydrophobicContact CZ-CG 3.84Å; A260-L264 HydrophobicContact CB-CD1 4.28Å; A260-L264 WeakPolarHBondContact O-CB 3.2Å; A260-L264 WeakPolarHBondContact O-CG 3.44Å; A260-L264 PolarHBondContact O-N 3.25Å; L264-G266 PolarHBondContact O-N 2.94Å; L264-G266 VanDerWaalsContact O-N 3.12Å; L264-F267 HydrophobicContact CD2-CB 4.44Å; L264-F267 HydrophobicContact CD2-CG 4.43Å; L264-F267 VanDerWaalsContact O-CB 3.32Å; L264-F267 WeakPolarHBondContact O-CB 3.35Å; L264-F267 PolarHBondContact O-N 3.41Å; L264-M274 HydrophobicContact CB-SD 4.15Å; L264-M274 WeakPolarHBondContact O-CG 3.33Å; L264-V276 HydrophobicContact CB-CG2 3.98Å |
| 265 | N | 88.6 | Confident | 87.1 | Confident | 83 Ų | 83 | 63.3 Ų | 63.3 | 44% | 0.444 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | 114.1 | 174.9 | -171.6 | 27.5 | 0 | 0 | 0 | 110.6 | L261 V276 | L261-N265 WeakPolarHBondContact O-CB 3.39Å; L261-N265 PolarHBondContact O-N 3.18Å; L261-N265 VanDerWaalsContact O-N 3.14Å; N265-V276 HydrophobicContact CB-CB 4.2Å; N265-V276 PolarHBondContact OD1-N 3.48Å |
| 266 | G | 86.8 | Confident | 87.4 | Confident | 43 Ų | 43 | 60.4 Ų | 60.4 | 44% | 0.443 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.5 | -1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | L264 E268 M274 | L264-G266 PolarHBondContact O-N 2.94Å; L264-G266 VanDerWaalsContact O-N 3.12Å; G266-E268 PolarHBondContact O-N 2.86Å; G266-M274 WeakPolarHBondContact CA-O 3.22Å; G266-M274 PolarHBondContact N-O 3.39Å |
| 267 | F | 87.5 | Confident | 87.3 | Confident | 49 Ų | 49 | 63 Ų | 63 | 22% | 0.215 | 34% | 0.342 | C | S | . | . | trans | -66.6 | 125.4 | 179.3 | -173.1 | -94.5 | 0 | 0 | 0 | 111.4 | L264 L269 M274 N444 | L264-F267 HydrophobicContact CD2-CB 4.44Å; L264-F267 HydrophobicContact CD2-CG 4.43Å; L264-F267 VanDerWaalsContact O-CB 3.32Å; L264-F267 WeakPolarHBondContact O-CB 3.35Å; L264-F267 PolarHBondContact O-N 3.41Å; F267-L269 PolarHBondContact O-N 3.3Å; F267-M274 HydrophobicContact CB-CE 4.22Å; F267-M274 HydrophobicContact CB-CG 4.07Å; F267-M274 HydrophobicContact CB-SD 4.21Å; F267-M274 HydrophobicContact CD1-CE 3.66Å; F267-M274 HydrophobicContact CG-CE 4.39Å; F267-M274 WeakPolarHBondContact O-CG 3.17Å; F267-M274 PolarHBondContact O-N 3.45Å; F267-N444 WeakPolarHBondContact CZ-OD1 3.21Å | ||
| 268 | E | 86.1 | Confident | 87.1 | Confident | 127 Ų | 127 | 68.8 Ų | 68.8 | 59% | 0.593 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 116.5 | 179.8 | -66.9 | -169.2 | 161.5 | 0 | 0 | 111.4 | G266 P273 | G266-E268 PolarHBondContact O-N 2.86Å; E268-P273 HydrophobicContact CG-CB 4.24Å |
| 269 | L | 83.2 | Confident | 86.6 | Confident | 16 Ų | 16 | 66.2 Ų | 66.2 | 8% | 0.084 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 118.6 | 177.5 | -170 | 58.8 | 0 | 0 | 0 | 109.4 | L210 I214 I222 F267 G271 R272 M274 | L210-L269 HydrophobicContact CD2-CD2 4.36Å; I214-L269 HydrophobicContact CD1-CB 4.12Å; I214-L269 HydrophobicContact CD1-CD2 3.4Å; I214-L269 HydrophobicContact CD1-CG 3.52Å; I214-L269 HydrophobicContact CG1-CD2 4Å; I214-L269 HydrophobicContact CG1-CG 4.08Å; I214-L269 HydrophobicContact CG2-CD2 4.19Å; I222-L269 HydrophobicContact CD1-CD1 3.58Å; I222-L269 HydrophobicContact CD1-CD2 3.54Å; I222-L269 HydrophobicContact CD1-CG 4.23Å; F267-L269 PolarHBondContact O-N 3.3Å; L269-G271 VanDerWaalsContact C-N 3.29Å; L269-G271 PolarHBondContact O-N 2.89Å; L269-R272 PolarHBondContact N-O 3.21Å; L269-R272 PolarHBondContact O-N 3.34Å; L269-M274 HydrophobicContact CB-CE 3.69Å; L269-M274 HydrophobicContact CD2-CE 3.58Å; L269-M274 HydrophobicContact CG-CE 4.24Å |
| 270 | A | 81.7 | Confident | 85.4 | Confident | 64 Ų | 64 | 66.7 Ų | 66.7 | 53% | 0.529 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 42.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | H211 R272 | H211-A270 HydrophobicContact CB-CB 3.76Å; A270-R272 VanDerWaalsContact C-N 3.3Å; A270-R272 PolarHBondContact O-N 2.81Å |
| 271 | G | 80.3 | Confident | 83.8 | Confident | 73 Ų | 73 | 73 Ų | 73 | 75% | 0.753 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.5 | 10.4 | 178 | 0 | 0 | 0 | 0 | 0 | 115 | L269 | L269-G271 VanDerWaalsContact C-N 3.29Å; L269-G271 PolarHBondContact O-N 2.89Å |
| 272 | R | 83 | Confident | 81.7 | Confident | 104 Ų | 104 | 82.5 Ų | 82.5 | 39% | 0.392 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 128.2 | 175.5 | -165.3 | 171.5 | -179.3 | 174.9 | 1.7 | 110.6 | S209 L269 A270 M274 | S209-R272 VanDerWaalsContact O-CD 3.22Å; S209-R272 WeakPolarHBondContact O-CD 3.32Å; S209-R272 WeakPolarHBondContact O-CG 3.36Å; L269-R272 PolarHBondContact N-O 3.21Å; L269-R272 PolarHBondContact O-N 3.34Å; A270-R272 VanDerWaalsContact C-N 3.3Å; A270-R272 PolarHBondContact O-N 2.81Å; R272-M274 PolarHBondContact O-N 3Å |
| 273 | P | 86.1 | Confident | 79.5 | Confident | 63 Ų | 63 | 80.8 Ų | 80.8 | 41% | 0.409 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 120.8 | 176.2 | 26.6 | -33.2 | 0 | 0 | 0 | 110 | S209 E268 | S209-P273 WeakPolarHBondContact CB-O 3.14Å; E268-P273 HydrophobicContact CG-CB 4.24Å |
| 274 | M | 89.5 | Confident | 77 | Confident | 1 Ų | 1 | 83.1 Ų | 83.1 | 1% | 0.005 | 45% | 0.446 | C | S | . | . | trans | -72.1 | 144.8 | 173.8 | 79.3 | 177.7 | 60.4 | 0 | 0 | 110.1 | I207 L210 F223 L264 G266 F267 L269 R272 V276 | I207-M274 HydrophobicContact CG2-CB 4.44Å; I207-M274 HydrophobicContact CG2-SD 4.42Å; L210-M274 HydrophobicContact CD2-CB 4.2Å; F223-M274 HydrophobicContact CE2-SD 4.31Å; F223-M274 HydrophobicContact CZ-SD 4.35Å; L264-M274 HydrophobicContact CB-SD 4.15Å; L264-M274 WeakPolarHBondContact O-CG 3.33Å; G266-M274 WeakPolarHBondContact CA-O 3.22Å; G266-M274 PolarHBondContact N-O 3.39Å; F267-M274 HydrophobicContact CB-CE 4.22Å; F267-M274 HydrophobicContact CB-CG 4.07Å; F267-M274 HydrophobicContact CB-SD 4.21Å; F267-M274 HydrophobicContact CD1-CE 3.66Å; F267-M274 HydrophobicContact CG-CE 4.39Å; F267-M274 WeakPolarHBondContact O-CG 3.17Å; F267-M274 PolarHBondContact O-N 3.45Å; L269-M274 HydrophobicContact CB-CE 3.69Å; L269-M274 HydrophobicContact CD2-CE 3.58Å; L269-M274 HydrophobicContact CG-CE 4.24Å; R272-M274 PolarHBondContact O-N 3Å; M274-V276 HydrophobicContact CG-CG2 4.13Å; M274-V276 HydrophobicContact SD-CG2 4.09Å | ||
| 275 | K | 88.8 | Confident | 74.9 | Confident | 122 Ų | 122 | 94 Ų | 94 | 53% | 0.53 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 118.8 | 175.9 | -67.4 | -173.4 | 175.9 | -176 | 0 | 108.7 | I207 G208 | I207-K275 CarbonylContact C-O 3.57Å; I207-K275 WeakPolarHBondContact CA-O 3.46Å; G208-K275 PolarHBondContact N-O 2.86Å; G208-K275 PolarHBondContact O-N 2.95Å |
| 276 | V | 91.5 | Very high | 72.5 | Confident | 0 Ų | 0 | 94 Ų | 94 | 0% | 0 | 50% | 0.499 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 121.9 | 179.9 | -172.5 | 0 | 0 | 0 | 0 | 108.8 | L205 Y206 I207 F223 L261 L264 N265 M274 | L205-V276 HydrophobicContact CB-CG1 4.19Å; L205-V276 HydrophobicContact CD1-CG1 4.06Å; Y206-V276 CarbonylContact O-C 3.51Å; Y206-V276 WeakPolarHBondContact O-CA 3.49Å; I207-V276 HydrophobicContact CG2-CG2 4.5Å; F223-V276 HydrophobicContact CZ-CG2 4.2Å; L261-V276 HydrophobicContact CB-CG1 4.32Å; L261-V276 HydrophobicContact CG-CG1 4.36Å; L264-V276 HydrophobicContact CB-CG2 3.98Å; N265-V276 HydrophobicContact CB-CB 4.2Å; N265-V276 PolarHBondContact OD1-N 3.48Å; M274-V276 HydrophobicContact CG-CG2 4.13Å; M274-V276 HydrophobicContact SD-CG2 4.09Å |
| 277 | N | 88.4 | Confident | 69.9 | Low | 79 Ų | 79 | 97.4 Ų | 97.4 | 42% | 0.422 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 153.5 | 178.6 | -71.8 | -47.3 | 0 | 0 | 0 | 110.6 | L205 Y206 | L205-N277 CarbonylContact C-O 3.52Å; L205-N277 WeakPolarHBondContact CA-O 3.21Å; Y206-N277 HydrophobicContact CD1-CB 4.26Å; Y206-N277 PolarHBondContact N-O 2.76Å; Y206-N277 PolarHBondContact O-N 3.4Å |
| 278 | H | 85.2 | Confident | 67.5 | Low | 123 Ų | 123 | 103.3 Ų | 103.3 | 57% | 0.569 | 55% | 0.548 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 137.6 | 166.2 | 55 | 179.3 | 0 | 0 | 0 | 111.5 | M203 L261 | M203-H278 HydrophobicContact CE-CB 3.61Å; L261-H278 HydrophobicContact CD1-CB 4.17Å |
| 279 | V | 78.5 | Confident | 65.3 | Low | 37 Ų | 37 | 102.8 Ų | 102.8 | 22% | 0.224 | 56% | 0.558 | C | S | . | * | trans | -98.3 | 111 | 169.1 | -178.4 | 0 | 0 | 0 | 0 | 107.8 | K204 Y206 F248 E281 | K204-V279 HydrophobicContact CB-CB 4.12Å; K204-V279 HydrophobicContact CD-CG1 4.41Å; K204-V279 HydrophobicContact CG-CB 4.15Å; K204-V279 HydrophobicContact CG-CG2 4.27Å; K204-V279 WeakPolarHBondContact O-CB 3.36Å; K204-V279 PolarHBondContact O-N 2.96Å; Y206-V279 VanDerWaalsContact CB-CG2 3.46Å; F248-V279 HydrophobicContact CD1-CG2 3.85Å; F248-V279 HydrophobicContact CE1-CG2 3.88Å; V279-E281 HydrophobicContact CG1-CG 4.29Å; V279-E281 PolarHBondContact O-N 3.41Å | ||
| 280 | T | 64.3 | Low | 63.7 | Low | 119 Ų | 119 | 106.1 Ų | 106.1 | 73% | 0.73 | 59% | 0.588 | S | S | * | * | trans | -76.2 | 109.4 | 156.3 | 49.3 | 0 | 0 | 0 | 0 | 105.7 | R282 | T280-R282 VanDerWaalsContact C-N 3.33Å; T280-R282 PolarHBondContact O-N 3.22Å | ||
| 281 | E | 56.1 | Low | 61.9 | Low | 132 Ų | 132 | 111.7 Ų | 111.7 | 62% | 0.617 | 61% | 0.608 | S | S | * | * | trans | -61.6 | 103.9 | 173.8 | -69.7 | -154.4 | 145.8 | 0 | 0 | 107.8 | K204 V279 S283 | K204-E281 HydrophobicContact CD-CG 4.37Å; K204-E281 VanDerWaalsContact CD-OE1 3.27Å; K204-E281 WeakPolarHBondContact CD-OE1 3.43Å; K204-E281 IonicContact NZ-OE1 3.33Å; K204-E281 PolarHBondContact NZ-OE1 3.14Å; V279-E281 HydrophobicContact CG1-CG 4.29Å; V279-E281 PolarHBondContact O-N 3.41Å; E281-S283 PolarHBondContact O-N 2.85Å | ||
| 282 | R | 46.4 | Very low | 59.9 | Low | 233 Ų | 233 | 115.1 Ų | 115.1 | 88% | 0.879 | 61% | 0.609 | S | S | * | * | trans | -72.1 | 82.2 | 167.9 | -148.4 | -179.4 | -165.9 | -178.8 | 3.9 | 105.3 | T280 E284 | T280-R282 VanDerWaalsContact C-N 3.33Å; T280-R282 PolarHBondContact O-N 3.22Å; R282-E284 PolarHBondContact O-N 3.46Å | ||
| 283 | S | 41.1 | Very low | 58 | Low | 93 Ų | 93 | 116.5 Ų | 116.5 | 65% | 0.65 | 62% | 0.624 | S | S | * | * | trans | -59.5 | 107.6 | 173.9 | -164.9 | 0 | 0 | 0 | 0 | 107.6 | E281 Y285 | E281-S283 PolarHBondContact O-N 2.85Å; S283-Y285 PolarHBondContact O-N 3.07Å | ||
| 284 | E | 36.4 | Very low | 56.2 | Low | 179 Ų | 179 | 120.2 Ų | 120.2 | 84% | 0.836 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | 62.5 | 179.3 | -68.6 | -172.8 | 128 | 0 | 0 | 111 | R282 | R282-E284 PolarHBondContact O-N 3.46Š|
| 285 | Y | 43.7 | Very low | 54 | Low | 234 Ų | 234 | 126.8 Ų | 126.8 | 92% | 0.918 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -150.1 | 13.7 | 159.7 | -78.5 | -70.2 | 0 | 0 | 0 | 113 | S283 | S283-Y285 PolarHBondContact O-N 3.07Š|
| 286 | A | 38.1 | Very low | 52.2 | Low | 82 Ų | 82 | 124.9 Ų | 124.9 | 68% | 0.678 | 68% | 0.678 | S | S | * | * | trans | -119.6 | 48.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 287 | C | 31.5 | Very low | 50.2 | Low | 115 Ų | 115 | 132.5 Ų | 132.5 | 78% | 0.777 | 72% | 0.719 | S | S | * | * | trans | -83.7 | 124.7 | 163.4 | -161 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 288 | L | 38 | Very low | 48.5 | Very low | 173 Ų | 173 | 139 Ų | 139 | 91% | 0.906 | 74% | 0.738 | S | S | * | * | S | Bend | trans | 123.3 | 4.7 | 162.9 | -61 | 172.9 | 0 | 0 | 0 | 118.6 | ||
| 289 | S | 39.2 | Very low | 46.8 | Very low | 117 Ų | 117 | 137.8 Ų | 137.8 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -143.4 | 19 | -179.2 | 65.2 | 0 | 0 | 0 | 0 | 118.4 | ||
| 290 | A | 49.6 | Very low | 45.4 | Very low | 85 Ų | 85 | 139 Ų | 139 | 70% | 0.702 | 76% | 0.764 | S | S | * | * | trans | -129.2 | 13.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | D292 | A290-D292 VanDerWaalsContact C-N 3.26Å; A290-D292 PolarHBondContact O-N 3.29Å | ||
| 291 | L | 44.2 | Very low | 45.1 | Very low | 182 Ų | 182 | 139 Ų | 139 | 95% | 0.953 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -93 | 55.1 | 169.9 | -63.7 | 177.1 | 0 | 0 | 0 | 110.1 | ||
| 292 | D | 38 | Very low | 45 | Very low | 144 Ų | 144 | 141.1 Ų | 141.1 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | trans | -164.3 | 70.9 | 165.8 | -161.4 | 53.2 | 0 | 0 | 0 | 107.7 | A290 | A290-D292 VanDerWaalsContact C-N 3.26Å; A290-D292 PolarHBondContact O-N 3.29Å | ||
| 293 | N | 43.6 | Very low | 45.7 | Very low | 134 Ų | 134 | 133.2 Ų | 133.2 | 72% | 0.717 | 75% | 0.753 | S | S | * | * | trans | -142.7 | 75.5 | 170.8 | -123.6 | -14.3 | 0 | 0 | 0 | 109.2 | E295 | N293-E295 PolarHBondContact O-N 3.08Š| ||
| 294 | D | 47.8 | Very low | 47 | Very low | 140 Ų | 140 | 131.2 Ų | 131.2 | 75% | 0.749 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | 27.6 | 169.2 | -120 | -88.4 | 0 | 0 | 0 | 113.3 | ||
| 295 | E | 44.5 | Very low | 48.4 | Very low | 140 Ų | 140 | 128.7 Ų | 128.7 | 65% | 0.654 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.6 | -12.9 | -171.1 | -159.5 | 154.4 | 112.9 | 0 | 0 | 113.1 | N293 | N293-E295 PolarHBondContact O-N 3.08Š|
| 296 | A | 49.7 | Very low | 49.6 | Very low | 82 Ų | 82 | 122.3 Ų | 122.3 | 68% | 0.678 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | -18.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | R298 | A296-R298 VanDerWaalsContact C-N 3.34Š|
| 297 | D | 49.7 | Very low | 51.2 | Low | 160 Ų | 160 | 119.2 Ų | 119.2 | 86% | 0.856 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.1 | 1.1 | 175 | -80.9 | -43.9 | 0 | 0 | 0 | 113.6 | ||
| 298 | R | 52.5 | Low | 53 | Low | 215 Ų | 215 | 121.7 Ų | 121.7 | 81% | 0.811 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -98.9 | -14 | -179.1 | -97.1 | 179.5 | 170.6 | 159.9 | 0.8 | 115.3 | A296 G300 | A296-R298 VanDerWaalsContact C-N 3.34Å; R298-G300 PolarHBondContact O-N 3.21Å |
| 299 | S | 49.7 | Very low | 54.5 | Low | 97 Ų | 97 | 115.2 Ų | 115.2 | 68% | 0.678 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -87.7 | 80.7 | 173.2 | 58.9 | 0 | 0 | 0 | 0 | 110 | V301 | S299-V301 PolarHBondContact O-N 3.12Š|
| 300 | G | 49.6 | Very low | 56.1 | Low | 64 Ų | 64 | 111.9 Ų | 111.9 | 66% | 0.66 | 65% | 0.645 | S | S | * | * | trans | -54 | 125.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | R298 D302 | R298-G300 PolarHBondContact O-N 3.21Å; G300-D302 PolarHBondContact O-N 2.87Å | ||
| 301 | V | 57.6 | Low | 57.2 | Low | 119 Ų | 119 | 111.4 Ų | 111.4 | 72% | 0.721 | 63% | 0.63 | S | S | * | * | trans | -59.6 | 121.7 | 169.4 | -147.8 | 0 | 0 | 0 | 0 | 107.5 | S299 L303 | S299-V301 PolarHBondContact O-N 3.12Å; V301-L303 HydrophobicContact CB-CD1 3.47Å; V301-L303 VanDerWaalsContact CB-CD1 3.47Å; V301-L303 HydrophobicContact CG1-CD1 3.64Å; V301-L303 HydrophobicContact CG2-CD1 4.42Å; V301-L303 PolarHBondContact O-N 3.03Å | ||
| 302 | D | 54.9 | Low | 58.3 | Low | 175 Ų | 175 | 108 Ų | 108 | 94% | 0.936 | 61% | 0.611 | S | S | * | * | trans | -66.9 | 73.5 | 177.2 | -85.5 | -47.6 | 0 | 0 | 0 | 110.6 | G300 | G300-D302 PolarHBondContact O-N 2.87Š| ||
| 303 | L | 59.9 | Low | 59.8 | Low | 67 Ų | 67 | 102.2 Ų | 102.2 | 35% | 0.351 | 58% | 0.583 | S | S | . | * | trans | -83.3 | 123.7 | 168.6 | -84.9 | 78.5 | 0 | 0 | 0 | 108.1 | V301 G307 R308 L311 | V301-L303 HydrophobicContact CB-CD1 3.47Å; V301-L303 VanDerWaalsContact CB-CD1 3.47Å; V301-L303 HydrophobicContact CG1-CD1 3.64Å; V301-L303 HydrophobicContact CG2-CD1 4.42Å; V301-L303 PolarHBondContact O-N 3.03Å; L303-G307 WeakPolarHBondContact CD2-O 3.39Å; L303-R308 HydrophobicContact CB-CB 4.49Å; L303-L311 HydrophobicContact CD2-CB 4.18Å; L303-L311 HydrophobicContact CD2-CD1 3.99Å | ||
| 304 | G | 69.5 | Low | 61.1 | Low | 52 Ų | 52 | 103.6 Ų | 103.6 | 54% | 0.536 | 58% | 0.582 | S | S | . | * | trans | -53 | 166.3 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | T306 G307 R308 | G304-T306 PolarHBondContact O-N 3.28Å; G304-G307 WeakPolarHBondContact O-CA 3.33Å; G304-G307 PolarHBondContact O-N 2.84Å; G304-R308 PolarHBondContact O-N 3.14Å | ||
| 305 | T | 64.6 | Low | 62.3 | Low | 125 Ų | 125 | 102.6 Ų | 102.6 | 77% | 0.767 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -47.5 | -41.1 | -175 | 46.1 | 0 | 0 | 0 | 0 | 113.4 | L309 | T305-L309 WeakPolarHBondContact O-CD1 3.11Å; T305-L309 WeakPolarHBondContact O-CG 3.46Å; T305-L309 PolarHBondContact O-N 2.9Å; T305-L309 VanDerWaalsContact O-N 3.14Å |
| 306 | T | 68.7 | Low | 63.3 | Low | 100 Ų | 100 | 96.9 Ų | 96.9 | 61% | 0.613 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -68.4 | -41.4 | 176.5 | -135.3 | 0 | 0 | 0 | 0 | 113.1 | G304 L309 A310 | G304-T306 PolarHBondContact O-N 3.28Å; T306-L309 PolarHBondContact O-N 3.33Å; T306-A310 WeakPolarHBondContact O-CB 3.5Å; T306-A310 PolarHBondContact O-N 2.9Å |
| 307 | G | 72.7 | Confident | 63.9 | Low | 17 Ų | 17 | 100.7 Ų | 100.7 | 18% | 0.175 | 56% | 0.557 | C | S | . | * | H | α-helix | trans | -69.4 | -38.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L303 G304 A310 L311 | L303-G307 WeakPolarHBondContact CD2-O 3.39Å; G304-G307 WeakPolarHBondContact O-CA 3.33Å; G304-G307 PolarHBondContact O-N 2.84Å; G307-A310 PolarHBondContact O-N 2.99Å; G307-L311 WeakPolarHBondContact O-CB 3.24Å; G307-L311 PolarHBondContact O-N 3.43Å |
| 308 | R | 69.3 | Low | 64.5 | Low | 168 Ų | 168 | 96.9 Ų | 96.9 | 63% | 0.634 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -65.4 | -40.8 | 176.5 | -169.3 | 173.9 | -176 | 160.8 | 1.9 | 111.5 | L303 G304 L311 M312 | L303-R308 HydrophobicContact CB-CB 4.49Å; G304-R308 PolarHBondContact O-N 3.14Å; R308-L311 PolarHBondContact O-N 3.02Å; R308-M312 WeakPolarHBondContact O-CB 3.42Å; R308-M312 VanDerWaalsContact O-CG 3.3Å; R308-M312 WeakPolarHBondContact O-CG 3.43Å; R308-M312 PolarHBondContact O-N 3.43Å |
| 309 | L | 69 | Low | 65 | Low | 36 Ų | 36 | 90.8 Ų | 90.8 | 19% | 0.188 | 54% | 0.542 | C | S | . | . | H | α-helix | trans | -64.3 | -42.4 | 173.7 | -78.2 | 163 | 0 | 0 | 0 | 112.1 | T305 T306 M312 A313 A327 Q330 L331 | T305-L309 WeakPolarHBondContact O-CD1 3.11Å; T305-L309 WeakPolarHBondContact O-CG 3.46Å; T305-L309 PolarHBondContact O-N 2.9Å; T305-L309 VanDerWaalsContact O-N 3.14Å; T306-L309 PolarHBondContact O-N 3.33Å; L309-M312 PolarHBondContact O-N 3.48Å; L309-A313 PolarHBondContact O-N 3.39Å; L309-A327 HydrophobicContact CD2-CB 3.93Å; L309-Q330 HydrophobicContact CD1-CB 4.31Å; L309-L331 HydrophobicContact CB-CD1 4.3Å; L309-L331 HydrophobicContact CB-CG 4.36Å |
| 310 | A | 72.6 | Confident | 65.5 | Low | 47 Ų | 47 | 90 Ų | 90 | 39% | 0.388 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65.1 | -39.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | T306 G307 A313 K314 | T306-A310 WeakPolarHBondContact O-CB 3.5Å; T306-A310 PolarHBondContact O-N 2.9Å; G307-A310 PolarHBondContact O-N 2.99Å; A310-A313 PolarHBondContact O-N 2.93Å; A310-K314 WeakPolarHBondContact O-CB 3.45Å; A310-K314 PolarHBondContact O-N 2.85Å |
| 311 | L | 73.8 | Confident | 66 | Low | 75 Ų | 75 | 93.1 Ų | 93.1 | 39% | 0.393 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -66.2 | -43.9 | 174.7 | -170.6 | 158.7 | 0 | 0 | 0 | 110.8 | L303 G307 R308 A313 K314 L315 | L303-L311 HydrophobicContact CD2-CB 4.18Å; L303-L311 HydrophobicContact CD2-CD1 3.99Å; G307-L311 WeakPolarHBondContact O-CB 3.24Å; G307-L311 PolarHBondContact O-N 3.43Å; R308-L311 PolarHBondContact O-N 3.02Å; L311-A313 VanDerWaalsContact C-N 3.29Å; L311-A313 PolarHBondContact O-N 3.44Å; L311-K314 PolarHBondContact O-N 2.92Å; L311-L315 HydrophobicContact CD2-CD1 3.38Å; L311-L315 HydrophobicContact CD2-CG 3.89Å; L311-L315 WeakPolarHBondContact O-CG 3.43Å; L311-L315 PolarHBondContact O-N 3.18Å |
| 312 | M | 67 | Low | 66 | Low | 111 Ų | 111 | 96.6 Ų | 96.6 | 55% | 0.547 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -59.9 | -38.4 | 174.5 | -78 | -173.2 | 140.9 | 0 | 0 | 112.4 | R308 L309 A316 | R308-M312 WeakPolarHBondContact O-CB 3.42Å; R308-M312 VanDerWaalsContact O-CG 3.3Å; R308-M312 WeakPolarHBondContact O-CG 3.43Å; R308-M312 PolarHBondContact O-N 3.43Å; L309-M312 PolarHBondContact O-N 3.48Å; M312-A316 WeakPolarHBondContact O-CB 3.37Å; M312-A316 PolarHBondContact O-N 2.88Å |
| 313 | A | 70 | Confident | 66.1 | Low | 23 Ų | 23 | 91 Ų | 91 | 19% | 0.19 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -66.1 | -44.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | L309 A310 L311 L315 A316 E317 I323 L331 | L309-A313 PolarHBondContact O-N 3.39Å; A310-A313 PolarHBondContact O-N 2.93Å; L311-A313 VanDerWaalsContact C-N 3.29Å; L311-A313 PolarHBondContact O-N 3.44Å; A313-L315 VanDerWaalsContact C-N 3.33Å; A313-L315 PolarHBondContact O-N 3.21Å; A313-A316 PolarHBondContact O-N 3.25Å; A313-A316 VanDerWaalsContact O-N 3.13Å; A313-E317 PolarHBondContact O-N 3.41Å; A313-I323 HydrophobicContact CB-CD1 4.04Å; A313-L331 HydrophobicContact CB-CD1 4.43Å |
| 314 | K | 71.1 | Confident | 66.1 | Low | 162 Ų | 162 | 92.1 Ų | 92.1 | 70% | 0.704 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -69.4 | -27.9 | -178.8 | -154.5 | 169.2 | -173.3 | 174.6 | 0 | 113.7 | A310 L311 | A310-K314 WeakPolarHBondContact O-CB 3.45Å; A310-K314 PolarHBondContact O-N 2.85Å; L311-K314 PolarHBondContact O-N 2.92Å |
| 315 | L | 71.5 | Confident | 65.7 | Low | 120 Ų | 120 | 98.5 Ų | 98.5 | 63% | 0.628 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -78.8 | -24.4 | 171.9 | -70.9 | -177.9 | 0 | 0 | 0 | 113.1 | L311 A313 T319 | L311-L315 HydrophobicContact CD2-CD1 3.38Å; L311-L315 HydrophobicContact CD2-CG 3.89Å; L311-L315 WeakPolarHBondContact O-CG 3.43Å; L311-L315 PolarHBondContact O-N 3.18Å; A313-L315 VanDerWaalsContact C-N 3.33Å; A313-L315 PolarHBondContact O-N 3.21Å; L315-T319 PolarHBondContact O-OG1 3.37Å |
| 316 | A | 66.6 | Low | 65.3 | Low | 20 Ų | 20 | 96.1 Ų | 96.1 | 17% | 0.165 | 55% | 0.545 | C | S | . | . | H | α-helix | trans | -84.5 | -20.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | M312 A313 G318 T319 I323 | M312-A316 WeakPolarHBondContact O-CB 3.37Å; M312-A316 PolarHBondContact O-N 2.88Å; A313-A316 PolarHBondContact O-N 3.25Å; A313-A316 VanDerWaalsContact O-N 3.13Å; A316-G318 VanDerWaalsContact C-N 3.27Å; A316-G318 PolarHBondContact O-N 3.24Å; A316-T319 PolarHBondContact O-N 3.14Å; A316-I323 HydrophobicContact CB-CD1 3.75Å; A316-I323 HydrophobicContact CB-CG1 3.57Å |
| 317 | E | 62.6 | Low | 64.6 | Low | 162 Ų | 162 | 92.2 Ų | 92.2 | 76% | 0.757 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | 81.3 | 168.7 | -78.8 | -177.8 | 158.9 | 0 | 0 | 111.1 | A313 | A313-E317 PolarHBondContact O-N 3.41Š|
| 318 | G | 61.4 | Low | 64 | Low | 79 Ų | 79 | 94.8 Ų | 94.8 | 81% | 0.814 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 135.5 | -8.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | A316 | A316-G318 VanDerWaalsContact C-N 3.27Å; A316-G318 PolarHBondContact O-N 3.24Å |
| 319 | T | 63.1 | Low | 63.5 | Low | 88 Ų | 88 | 89 Ų | 89 | 54% | 0.54 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | 2.1 | -176 | 55.8 | 0 | 0 | 0 | 0 | 114.4 | L315 A316 L321 | L315-T319 PolarHBondContact O-OG1 3.37Å; A316-T319 PolarHBondContact O-N 3.14Å; T319-L321 PolarHBondContact O-N 2.69Å; T319-L321 VanDerWaalsContact O-N 3.13Å |
| 320 | G | 59.2 | Low | 62.8 | Low | 80 Ų | 80 | 93.7 Ų | 93.7 | 83% | 0.825 | 54% | 0.541 | S | S | * | . | trans | 66.8 | 8.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 321 | L | 60 | Low | 61.9 | Low | 129 Ų | 129 | 94.3 Ų | 94.3 | 68% | 0.675 | 54% | 0.538 | S | S | * | . | P | Polyproline II helix | trans | -84.9 | 117.7 | 172.2 | -96.3 | 78 | 0 | 0 | 0 | 110.1 | T319 I323 | T319-L321 PolarHBondContact O-N 2.69Å; T319-L321 VanDerWaalsContact O-N 3.13Å; L321-I323 PolarHBondContact O-N 3.23Å |
| 322 | E | 57.9 | Low | 61 | Low | 193 Ų | 193 | 96.2 Ų | 96.2 | 90% | 0.902 | 54% | 0.544 | S | S | * | . | P | Polyproline II helix | trans | -67.7 | 118.8 | 173.8 | -72.4 | -157.9 | 139.1 | 0 | 0 | 111.3 | ||
| 323 | I | 58.1 | Low | 60.2 | Low | 58 Ų | 58 | 97.4 Ų | 97.4 | 30% | 0.297 | 55% | 0.552 | S | S | . | * | P | Polyproline II helix | trans | -69.5 | 129.3 | 171.5 | -54.5 | 162 | 0 | 0 | 0 | 108.3 | A313 A316 L321 K325 A327 | A313-I323 HydrophobicContact CB-CD1 4.04Å; A316-I323 HydrophobicContact CB-CD1 3.75Å; A316-I323 HydrophobicContact CB-CG1 3.57Å; L321-I323 PolarHBondContact O-N 3.23Å; I323-K325 PolarHBondContact O-N 2.9Å; I323-A327 HydrophobicContact CG2-CB 3.95Å |
| 324 | P | 58.4 | Low | 58.9 | Low | 90 Ų | 90 | 99.9 Ų | 99.9 | 58% | 0.584 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 132.2 | 179.2 | 22.2 | -31.9 | 0 | 0 | 0 | 111.4 | A326 A327 | P324-A326 PolarHBondContact O-N 3.37Å; P324-A327 HydrophobicContact CG-CB 4.43Å; P324-A327 WeakPolarHBondContact O-CB 3.46Å; P324-A327 PolarHBondContact O-N 3.36Å |
| 325 | K | 61.7 | Low | 57.9 | Low | 185 Ų | 185 | 99.2 Ų | 99.2 | 80% | 0.804 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -50 | -27.1 | -177.1 | -71.1 | 178.2 | 179.1 | 172.3 | 0 | 114.4 | I323 L328 A329 | I323-K325 PolarHBondContact O-N 2.9Å; K325-L328 PolarHBondContact O-N 2.8Å; K325-A329 PolarHBondContact O-N 3.32Å |
| 326 | A | 56.6 | Low | 56.1 | Low | 75 Ų | 75 | 100.5 Ų | 100.5 | 62% | 0.62 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -64.6 | -34.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | P324 Q330 | P324-A326 PolarHBondContact O-N 3.37Å; A326-Q330 PolarHBondContact O-N 3.16Å |
| 327 | A | 54.8 | Low | 54.9 | Low | 19 Ų | 19 | 107.6 Ų | 107.6 | 16% | 0.157 | 62% | 0.622 | C | S | . | * | H | α-helix | trans | -76.1 | -33.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | L309 I323 P324 Q330 L331 | L309-A327 HydrophobicContact CD2-CB 3.93Å; I323-A327 HydrophobicContact CG2-CB 3.95Å; P324-A327 HydrophobicContact CG-CB 4.43Å; P324-A327 WeakPolarHBondContact O-CB 3.46Å; P324-A327 PolarHBondContact O-N 3.36Å; A327-Q330 PolarHBondContact O-N 2.81Å; A327-L331 PolarHBondContact O-N 3.41Å |
| 328 | L | 59 | Low | 53.8 | Low | 71 Ų | 71 | 105 Ų | 105 | 37% | 0.372 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -66.5 | -38.2 | 171.7 | -82.6 | 164.8 | 0 | 0 | 0 | 112.1 | K325 Q330 L331 H332 | K325-L328 PolarHBondContact O-N 2.8Å; L328-Q330 VanDerWaalsContact C-N 3.33Å; L328-Q330 PolarHBondContact O-N 3.25Å; L328-L331 PolarHBondContact O-N 3.17Å; L328-H332 PolarHBondContact O-N 3.4Å; L328-H332 PolarHBondContact O-ND1 3.29Å |
| 329 | A | 59.1 | Low | 52.8 | Low | 45 Ų | 45 | 109.5 Ų | 109.5 | 37% | 0.372 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -64.1 | -37.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | K325 L331 H332 I333 | K325-A329 PolarHBondContact O-N 3.32Å; A329-L331 VanDerWaalsContact C-N 3.29Å; A329-L331 PolarHBondContact O-N 3.06Å; A329-H332 PolarHBondContact O-N 3.46Å; A329-I333 HydrophobicContact CB-CD1 4.42Å; A329-I333 VanDerWaalsContact O-CD1 3.25Å; A329-I333 WeakPolarHBondContact O-CD1 3.18Å; A329-I333 WeakPolarHBondContact O-CG1 3.25Å; A329-I333 PolarHBondContact O-N 3.4Å; A329-I333 VanDerWaalsContact O-N 3.16Å |
| 330 | Q | 54.7 | Low | 51.5 | Low | 135 Ų | 135 | 113.7 Ų | 113.7 | 63% | 0.631 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -70.8 | -21.9 | 177 | -70.4 | -162.9 | -48.6 | 0 | 0 | 114 | L309 A326 A327 L328 | L309-Q330 HydrophobicContact CD1-CB 4.31Å; A326-Q330 PolarHBondContact O-N 3.16Å; A327-Q330 PolarHBondContact O-N 2.81Å; L328-Q330 VanDerWaalsContact C-N 3.33Å; L328-Q330 PolarHBondContact O-N 3.25Å |
| 331 | L | 52.7 | Low | 50.2 | Low | 60 Ų | 60 | 113.5 Ų | 113.5 | 31% | 0.314 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -76.8 | -24.8 | 170.7 | -87.9 | 153 | 0 | 0 | 0 | 112.9 | L309 A313 A327 L328 A329 | L309-L331 HydrophobicContact CB-CD1 4.3Å; L309-L331 HydrophobicContact CB-CG 4.36Å; A313-L331 HydrophobicContact CB-CD1 4.43Å; A327-L331 PolarHBondContact O-N 3.41Å; L328-L331 PolarHBondContact O-N 3.17Å; A329-L331 VanDerWaalsContact C-N 3.29Å; A329-L331 PolarHBondContact O-N 3.06Å |
| 332 | H | 55.9 | Low | 49 | Very low | 115 Ų | 115 | 113.3 Ų | 113.3 | 53% | 0.532 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -98.4 | -15.2 | -175.9 | -72.4 | 87.1 | 0 | 0 | 0 | 114.6 | L328 A329 G334 | L328-H332 PolarHBondContact O-N 3.4Å; L328-H332 PolarHBondContact O-ND1 3.29Å; A329-H332 PolarHBondContact O-N 3.46Å; H332-G334 VanDerWaalsContact C-N 3.29Å; H332-G334 PolarHBondContact O-N 3.41Å |
| 333 | I | 49.6 | Very low | 48 | Very low | 136 Ų | 136 | 108.4 Ų | 108.4 | 70% | 0.697 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | -7.7 | -177.3 | -69.9 | 161.4 | 0 | 0 | 0 | 113.1 | A329 Q335 | A329-I333 HydrophobicContact CB-CD1 4.42Å; A329-I333 VanDerWaalsContact O-CD1 3.25Å; A329-I333 WeakPolarHBondContact O-CD1 3.18Å; A329-I333 WeakPolarHBondContact O-CG1 3.25Å; A329-I333 PolarHBondContact O-N 3.4Å; A329-I333 VanDerWaalsContact O-N 3.16Å; I333-Q335 VanDerWaalsContact C-N 3.31Å; I333-Q335 PolarHBondContact O-N 3.39Å |
| 334 | G | 44 | Very low | 46.6 | Very low | 76 Ų | 76 | 109 Ų | 109 | 78% | 0.784 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | 1.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | H332 | H332-G334 VanDerWaalsContact C-N 3.29Å; H332-G334 PolarHBondContact O-N 3.41Å |
| 335 | Q | 48.7 | Very low | 45.4 | Very low | 147 Ų | 147 | 110.1 Ų | 110.1 | 69% | 0.687 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -106.5 | -7.8 | -170.1 | -86.7 | -179.9 | -27.3 | 0 | 0 | 115.9 | I333 | I333-Q335 VanDerWaalsContact C-N 3.31Å; I333-Q335 PolarHBondContact O-N 3.39Å |
| 336 | N | 34.2 | Very low | 44.1 | Very low | 148 Ų | 148 | 107.7 Ų | 107.7 | 79% | 0.791 | 67% | 0.671 | S | S | * | * | trans | -147.8 | 87.1 | -172.3 | -75.7 | -35.1 | 0 | 0 | 0 | 114.1 | ||||
| 337 | N | 42 | Very low | 43 | Very low | 168 Ų | 168 | 108.7 Ų | 108.7 | 90% | 0.898 | 67% | 0.674 | S | S | * | * | trans | -167.2 | 134.6 | 136.7 | -128.9 | 3.5 | 0 | 0 | 0 | 112.7 | ||||
| 338 | P | 39.6 | Very low | 41.8 | Very low | 108 Ų | 108 | 112.5 Ų | 112.5 | 70% | 0.701 | 70% | 0.699 | S | S | * | * | trans | -107.4 | 135.9 | -168.6 | 37.2 | -26.5 | 0 | 0 | 0 | 114.5 | ||||
| 339 | I | 39.9 | Very low | 40.5 | Very low | 174 Ų | 174 | 114.3 Ų | 114.3 | 89% | 0.892 | 72% | 0.718 | S | S | * | * | trans | 151.9 | 113.6 | 166 | -88.3 | 161.9 | 0 | 0 | 0 | 103.7 | ||||
| 340 | L | 35.3 | Very low | 39.3 | Very low | 176 Ų | 176 | 116.9 Ų | 116.9 | 92% | 0.921 | 73% | 0.733 | S | S | * | * | S | Bend | cis | -156.3 | 120.8 | 13.2 | -179.9 | 71.8 | 0 | 0 | 0 | 107 | ||
| 341 | G | 33.1 | Very low | 38.3 | Very low | 75 Ų | 75 | 115.6 Ų | 115.6 | 77% | 0.773 | 75% | 0.746 | S | S | * | * | S | Bend | trans | 140.7 | 48.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||
| 342 | S | 34.2 | Very low | 37.6 | Very low | 125 Ų | 125 | 119.7 Ų | 119.7 | 87% | 0.874 | 77% | 0.766 | S | S | * | * | trans | 43.4 | 126.2 | 145.8 | -165.8 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 343 | A | 36.3 | Very low | 36.9 | Very low | 91 Ų | 91 | 118 Ų | 118 | 75% | 0.752 | 77% | 0.772 | S | S | * | * | cis | -162.4 | 141.7 | 5.2 | 0 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 344 | G | 29.7 | Very low | 36.6 | Very low | 70 Ų | 70 | 116.7 Ų | 116.7 | 72% | 0.722 | 77% | 0.773 | S | S | * | * | 81.2 | 90.4 | 87.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 345 | S | 31.7 | Very low | 37.1 | Very low | 114 Ų | 114 | 118.3 Ų | 118.3 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | 54.3 | 102.8 | 97.9 | 163 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 346 | V | 36.4 | Very low | 37.9 | Very low | 134 Ų | 134 | 116.1 Ų | 116.1 | 81% | 0.812 | 77% | 0.766 | S | S | * | * | -162.9 | 138.7 | 109.3 | -129 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 347 | S | 31.8 | Very low | 39.8 | Very low | 95 Ų | 95 | 111.8 Ų | 111.8 | 66% | 0.664 | 75% | 0.747 | S | S | * | * | trans | -8.7 | 151.8 | 153.4 | 50.7 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 348 | S | 30.3 | Very low | 41.9 | Very low | 100 Ų | 100 | 104.5 Ų | 104.5 | 70% | 0.699 | 71% | 0.708 | S | S | * | * | trans | 78.8 | 113.1 | 150.8 | 61.5 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 349 | S | 31.2 | Very low | 44.1 | Very low | 108 Ų | 108 | 102 Ų | 102 | 76% | 0.755 | 69% | 0.687 | S | S | * | * | trans | 48.8 | 93.8 | 140.7 | 58.5 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 350 | S | 34.7 | Very low | 46.5 | Very low | 99 Ų | 99 | 93.7 Ų | 93.7 | 69% | 0.692 | 64% | 0.644 | S | S | * | * | trans | 165.2 | 130.6 | 136.2 | 41.3 | 0 | 0 | 0 | 0 | 109.6 | I352 | S350-I352 PolarHBondContact O-N 3.47Š| ||
| 351 | A | 32.9 | Very low | 49.1 | Very low | 109 Ų | 109 | 85.3 Ų | 85.3 | 90% | 0.901 | 60% | 0.601 | S | S | * | * | trans | -72 | 110.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 352 | I | 37.6 | Very low | 51.9 | Low | 145 Ų | 145 | 83.4 Ų | 83.4 | 74% | 0.744 | 57% | 0.572 | S | S | * | * | trans | -124.5 | 116.3 | 173.9 | -56.8 | 177.6 | 0 | 0 | 0 | 107.4 | S350 | S350-I352 PolarHBondContact O-N 3.47Š| ||
| 353 | A | 41.7 | Very low | 54.5 | Low | 79 Ų | 79 | 77.4 Ų | 77.4 | 65% | 0.653 | 53% | 0.53 | S | S | * | . | trans | -52.7 | 155.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 354 | P | 43.7 | Very low | 57 | Low | 110 Ų | 110 | 73.8 Ų | 73.8 | 71% | 0.714 | 50% | 0.499 | S | S | * | . | trans | -54.7 | 137.2 | 178.7 | 23.3 | -33.6 | 0 | 0 | 0 | 110.5 | V356 | P354-V356 PolarHBondContact O-N 3.09Š| ||
| 355 | P | 54.6 | Low | 59.6 | Low | 109 Ų | 109 | 73.1 Ų | 73.1 | 71% | 0.708 | 48% | 0.479 | S | S | * | . | trans | -63.8 | 105.6 | -175.8 | 25 | -32.9 | 0 | 0 | 0 | 109.7 | C357 Y439 | P355-C357 PolarHBondContact O-N 2.92Å; P355-Y439 HydrophobicContact CB-CD2 4.25Å | ||
| 356 | V | 64.6 | Low | 61.9 | Low | 102 Ų | 102 | 67.9 Ų | 67.9 | 62% | 0.618 | 44% | 0.442 | S | S | * | . | trans | -69.8 | 115.7 | 175.2 | -175.8 | 0 | 0 | 0 | 0 | 107.7 | P354 T358 Y439 | P354-V356 PolarHBondContact O-N 3.09Å; V356-T358 HydrophobicContact CB-CG2 4.4Å; V356-T358 HydrophobicContact CG1-CG2 4.04Å; V356-T358 WeakPolarHBondContact O-CG2 3.43Å; V356-T358 PolarHBondContact O-N 3.32Å; V356-T358 VanDerWaalsContact O-N 3.16Å; V356-Y439 WeakPolarHBondContact O-CB 3.25Å | ||
| 357 | C | 75.1 | Confident | 64 | Low | 57 Ų | 57 | 61.9 Ų | 61.9 | 39% | 0.385 | 41% | 0.405 | S | S | . | . | trans | -61.9 | 116.5 | 174.7 | -173.9 | 0 | 0 | 0 | 0 | 109.4 | P355 I415 T419 | P355-C357 PolarHBondContact O-N 2.92Å; C357-I415 HydrophobicContact CB-CG2 4.43Å; C357-I415 WeakPolarHBondContact SG-CG2 3.46Å; C357-T419 PolarHBondContact SG-OG1 3.31Å | ||
| 358 | T | 85 | Confident | 66 | Low | 14 Ų | 14 | 59.4 Ų | 59.4 | 9% | 0.086 | 38% | 0.384 | C | S | . | . | trans | -132.7 | 169.2 | -174.3 | 50.9 | 0 | 0 | 0 | 0 | 110.1 | V356 C360 A418 V440 | V356-T358 HydrophobicContact CB-CG2 4.4Å; V356-T358 HydrophobicContact CG1-CG2 4.04Å; V356-T358 WeakPolarHBondContact O-CG2 3.43Å; V356-T358 PolarHBondContact O-N 3.32Å; V356-T358 VanDerWaalsContact O-N 3.16Å; T358-C360 PolarHBondContact O-N 3.1Å; T358-C360 PolarHBondContact OG1-O 3.45Å; T358-C360 VanDerWaalsContact OG1-O 3.05Å; T358-A418 VanDerWaalsContact O-CB 3.29Å; T358-A418 WeakPolarHBondContact O-CB 3.42Å; T358-V440 PolarHBondContact OG1-O 3.46Å | ||
| 359 | Q | 87.6 | Confident | 67.9 | Low | 56 Ų | 56 | 56.4 Ų | 56.4 | 26% | 0.262 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -73.8 | -9.4 | 177.1 | -62 | 179.6 | -21.9 | 0 | 0 | 113.3 | C412 I415 L442 | Q359-C412 PolarHBondContact O-N 2.9Å; Q359-I415 HydrophobicContact CG-CB 4.49Å; Q359-I415 HydrophobicContact CG-CG1 3.5Å; Q359-L442 HydrophobicContact CB-CD2 4.22Å |
| 360 | C | 88.5 | Confident | 69.6 | Low | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 139.2 | -175.3 | -65.5 | 0 | 0 | 0 | 0 | 109.5 | T358 V410 V440 Y445 | T358-C360 PolarHBondContact O-N 3.1Å; T358-C360 PolarHBondContact OG1-O 3.45Å; T358-C360 VanDerWaalsContact OG1-O 3.05Å; C360-V410 WeakPolarHBondContact CA-O 3.26Å; C360-V440 HydrophobicContact CB-CB 4.42Å; C360-V440 WeakPolarHBondContact CB-O 3.5Å; C360-V440 PolarHBondContact O-N 3.36Å; C360-Y445 HydrophobicContact CB-CD2 3.62Å; C360-Y445 HydrophobicContact CB-CE2 4.29Å; C360-Y445 HydrophobicContact CB-CG 3.9Å; C360-Y445 VanDerWaalsContact SG-CG 3.56Å |
| 361 | F | 91 | Very high | 71.5 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 155 | 173.5 | 63.4 | -90.3 | 0 | 0 | 0 | 110.6 | L363 V410 A418 C421 V422 L425 A438 | F361-L363 HydrophobicContact CD2-CD2 3.96Å; F361-L363 HydrophobicContact CD2-CG 4.1Å; F361-L363 HydrophobicContact CE2-CD1 4.19Å; F361-L363 HydrophobicContact CE2-CD2 3.86Å; F361-L363 HydrophobicContact CE2-CG 3.9Å; F361-V410 HydrophobicContact CD1-CB 4.47Å; F361-V410 HydrophobicContact CD2-CB 4.33Å; F361-V410 HydrophobicContact CE1-CB 3.98Å; F361-V410 HydrophobicContact CE1-CG1 3.97Å; F361-V410 HydrophobicContact CE2-CB 3.82Å; F361-V410 HydrophobicContact CE2-CG1 4.41Å; F361-V410 HydrophobicContact CE2-CG2 3.91Å; F361-V410 HydrophobicContact CZ-CB 3.61Å; F361-V410 HydrophobicContact CZ-CG1 3.72Å; F361-V410 HydrophobicContact CZ-CG2 4.03Å; F361-V410 PolarHBondContact N-O 3.06Å; F361-V410 PolarHBondContact O-N 3.38Å; F361-A418 HydrophobicContact CD1-CB 4.26Å; F361-C421 HydrophobicContact CE1-CB 3.59Å; F361-C421 HydrophobicContact CE2-CB 4.5Å; F361-C421 HydrophobicContact CZ-CB 3.53Å; F361-V422 HydrophobicContact CB-CG2 3.6Å; F361-V422 HydrophobicContact CD1-CG2 3.82Å; F361-V422 HydrophobicContact CD2-CG2 4.01Å; F361-V422 HydrophobicContact CE1-CG2 4.49Å; F361-V422 HydrophobicContact CG-CG2 3.54Å; F361-L425 HydrophobicContact CE2-CD1 4.1Å; F361-L425 HydrophobicContact CZ-CD1 4.31Å; F361-A438 CarbonylContact C-O 3.47Å; F361-A438 VanDerWaalsContact CA-O 3.25Å; F361-A438 WeakPolarHBondContact CA-O 3.33Å; F361-A438 WeakPolarHBondContact CB-O 3.39Å |
| 362 | M | 90.7 | Very high | 73.2 | Confident | 34 Ų | 34 | 56 Ų | 56 | 17% | 0.167 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 134.3 | 173.7 | -179.2 | -173.4 | 75.1 | 0 | 0 | 108.4 | N407 V408 Y409 A437 A438 V440 | M362-N407 HydrophobicContact CG-CB 4.29Å; M362-N407 HydrophobicContact SD-CB 4.15Å; M362-V408 CarbonylContact C-O 3.53Å; M362-V408 WeakPolarHBondContact CA-O 3.09Å; M362-Y409 HydrophobicContact CB-CD1 3.99Å; M362-Y409 HydrophobicContact CB-CE1 3.97Å; M362-Y409 HydrophobicContact CG-CD1 3.99Å; M362-Y409 HydrophobicContact CG-CE1 3.71Å; M362-Y409 HydrophobicContact SD-CD1 4.47Å; M362-Y409 HydrophobicContact SD-CE1 3.61Å; M362-A437 CarbonylContact O-C 3.41Å; M362-A437 WeakPolarHBondContact O-CA 3.42Å; M362-A438 PolarHBondContact N-O 3.48Å; M362-A438 PolarHBondContact O-N 3.46Å; M362-V440 HydrophobicContact CB-CG2 3.65Å |
| 363 | L | 90.4 | Very high | 74.8 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 129.8 | 167.3 | -56.6 | 170.4 | 0 | 0 | 0 | 107.7 | F361 M366 V384 N407 V408 L425 I435 T436 A437 | F361-L363 HydrophobicContact CD2-CD2 3.96Å; F361-L363 HydrophobicContact CD2-CG 4.1Å; F361-L363 HydrophobicContact CE2-CD1 4.19Å; F361-L363 HydrophobicContact CE2-CD2 3.86Å; F361-L363 HydrophobicContact CE2-CG 3.9Å; L363-M366 HydrophobicContact CB-CG 3.74Å; L363-M366 HydrophobicContact CB-SD 3.87Å; L363-M366 HydrophobicContact CD1-SD 3.78Å; L363-M366 HydrophobicContact CG-SD 4.41Å; L363-V384 HydrophobicContact CD1-CG1 4.07Å; L363-V384 HydrophobicContact CD1-CG2 4.13Å; L363-N407 CarbonylContact O-C 3.54Å; L363-N407 VanDerWaalsContact O-CA 3.24Å; L363-N407 WeakPolarHBondContact O-CA 3.41Å; L363-V408 HydrophobicContact CB-CB 4.3Å; L363-V408 PolarHBondContact N-O 2.8Å; L363-V408 PolarHBondContact O-N 3.03Å; L363-L425 HydrophobicContact CD1-CD1 3.9Å; L363-L425 HydrophobicContact CD2-CB 3.91Å; L363-L425 HydrophobicContact CD2-CD1 4.11Å; L363-I435 HydrophobicContact CB-CG2 4.04Å; L363-I435 HydrophobicContact CD2-CG2 4.07Å; L363-T436 CarbonylContact C-O 3.51Å; L363-T436 WeakPolarHBondContact CA-O 3.42Å; L363-A437 HydrophobicContact CD2-CB 3.64Å |
| 364 | S | 88.4 | Confident | 76.1 | Confident | 15 Ų | 15 | 55.1 Ų | 55.1 | 11% | 0.105 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 155.6 | 174.6 | 33.7 | 0 | 0 | 0 | 0 | 110.2 | N407 T436 | S364-N407 WeakPolarHBondContact CA-OD1 3.29Å; S364-N407 VanDerWaalsContact CB-OD1 3.31Å; S364-N407 WeakPolarHBondContact CB-OD1 3.33Å; S364-T436 PolarHBondContact N-O 2.87Å; S364-T436 PolarHBondContact O-N 2.84Å; S364-T436 VanDerWaalsContact O-N 3.15Å; S364-T436 PolarHBondContact OG-O 2.82Å; S364-T436 PolarHBondContact OG-OG1 3.08Å |
| 365 | N | 84.2 | Confident | 77.7 | Confident | 56 Ų | 56 | 53 Ų | 53 | 30% | 0.299 | 30% | 0.302 | S | S | . | . | S | Bend | trans | 67.8 | 32.7 | -178.4 | -157.6 | 30.1 | 0 | 0 | 0 | 114.2 | Q405 G406 L434 | N365-Q405 WeakPolarHBondContact CA-O 3.42Å; N365-Q405 PolarHBondContact N-O 3.44Å; N365-G406 PolarHBondContact N-O 3.17Å; N365-L434 PolarHBondContact ND2-O 2.94Å |
| 366 | M | 80.2 | Confident | 79 | Confident | 3 Ų | 3 | 49.8 Ų | 49.8 | 2% | 0.015 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -79 | -32.4 | -177.9 | -68.9 | -91.3 | 38.9 | 0 | 0 | 113.7 | L363 V384 G406 V408 F430 I435 | L363-M366 HydrophobicContact CB-CG 3.74Å; L363-M366 HydrophobicContact CB-SD 3.87Å; L363-M366 HydrophobicContact CD1-SD 3.78Å; L363-M366 HydrophobicContact CG-SD 4.41Å; M366-V384 HydrophobicContact SD-CG2 4.47Å; M366-G406 WeakPolarHBondContact CB-O 3.26Å; M366-G406 PolarHBondContact N-O 3.25Å; M366-V408 HydrophobicContact CB-CG2 3.98Å; M366-V408 HydrophobicContact CG-CB 4.46Å; M366-V408 HydrophobicContact CG-CG2 3.89Å; M366-F430 HydrophobicContact CE-CB 3.42Å; M366-F430 VanDerWaalsContact CE-CB 3.42Å; M366-F430 HydrophobicContact CE-CD1 3.51Å; M366-F430 HydrophobicContact CE-CD2 3.91Å; M366-F430 HydrophobicContact CE-CE1 4.24Å; M366-F430 HydrophobicContact CE-CG 3.32Å; M366-F430 VanDerWaalsContact O-CD1 3.31Å; M366-F430 WeakPolarHBondContact O-CD1 3.16Å; M366-I435 HydrophobicContact CE-CD1 3.29Å; M366-I435 HydrophobicContact CE-CG1 3.53Å; M366-I435 HydrophobicContact CE-CG2 4.26Å; M366-I435 HydrophobicContact CG-CG2 4.26Å; M366-I435 HydrophobicContact SD-CD1 3.86Å; M366-I435 HydrophobicContact SD-CG1 4.21Å; M366-I435 HydrophobicContact SD-CG2 3.81Å |
| 367 | F | 79.1 | Confident | 79.8 | Confident | 9 Ų | 9 | 46.6 Ų | 46.6 | 4% | 0.039 | 26% | 0.258 | C | S | . | . | trans | -148.8 | 162.1 | 178.4 | 59.1 | -90.1 | 0 | 0 | 0 | 110.8 | P369 A372 F377 I380 V399 D400 | F367-P369 HydrophobicContact CE2-CB 4.23Å; F367-A372 HydrophobicContact CB-CB 4.27Å; F367-A372 HydrophobicContact CD2-CB 3.9Å; F367-A372 HydrophobicContact CG-CB 4.38Å; F367-F377 HydrophobicContact CD1-CD1 4.48Å; F367-F377 HydrophobicContact CD1-CE1 4.39Å; F367-F377 HydrophobicContact CD2-CD1 4.47Å; F367-F377 AromaticContact CD2-CE1 3.64Å; F367-F377 HydrophobicContact CD2-CE1 3.64Å; F367-F377 HydrophobicContact CE1-CD1 4.32Å; F367-F377 HydrophobicContact CE1-CE1 4.22Å; F367-F377 HydrophobicContact CE2-CD1 4.34Å; F367-F377 AromaticContact CE2-CE1 3.46Å; F367-F377 HydrophobicContact CE2-CE1 3.46Å; F367-F377 VanDerWaalsContact CE2-CE1 3.46Å; F367-F377 HydrophobicContact CE2-CZ 4.29Å; F367-F377 HydrophobicContact CG-CE1 4.11Å; F367-F377 HydrophobicContact CZ-CD1 4.22Å; F367-F377 AromaticContact CZ-CE1 3.74Å; F367-F377 HydrophobicContact CZ-CE1 3.74Å; F367-I380 HydrophobicContact CB-CD1 3.62Å; F367-I380 HydrophobicContact CD1-CD1 3.85Å; F367-I380 HydrophobicContact CG-CD1 4.06Å; F367-V399 HydrophobicContact CD1-CG1 4.47Å; F367-V399 HydrophobicContact CE1-CG1 3.71Å; F367-V399 HydrophobicContact CZ-CG1 4.28Å; F367-D400 WeakPolarHBondContact CZ-O 3.36Å | ||
| 368 | D | 74.7 | Confident | 80.1 | Confident | 43 Ų | 43 | 47.5 Ų | 47.5 | 23% | 0.23 | 26% | 0.257 | C | S | . | . | trans | -90 | 118.1 | 165.7 | -154.2 | -39.8 | 0 | 0 | 0 | 109.5 | H370 V371 A372 R433 | D368-H370 PolarHBondContact O-N 2.93Å; D368-H370 VanDerWaalsContact O-N 3.11Å; D368-H370 IonicContact OD1-CD2 3.11Å; D368-H370 PolarHBondContact OD1-CD2 3.46Å; D368-H370 IonicContact OD1-CG 2.84Å; D368-H370 PolarHBondContact OD1-N 3.01Å; D368-H370 VanDerWaalsContact OD1-N 3.09Å; D368-V371 HydrophobicContact CB-CB 4.13Å; D368-V371 HydrophobicContact CB-CG2 4.06Å; D368-V371 PolarHBondContact O-N 2.97Å; D368-V371 VanDerWaalsContact O-N 3.1Å; D368-A372 VanDerWaalsContact O-CB 3.23Å; D368-A372 WeakPolarHBondContact O-CB 3.23Å; D368-A372 PolarHBondContact O-N 3.44Å; D368-R433 VanDerWaalsContact CB-NH1 3.28Å; D368-R433 IonicContact OD2-CZ 2.65Å; D368-R433 IonicContact OD2-NH1 3.88Å; D368-R433 PolarHBondContact OD2-NH1 3.35Å; D368-R433 IonicContact OD2-NH2 3.88Å; D368-R433 PolarHBondContact OD2-NH2 3.16Å | ||
| 369 | P | 70.1 | Confident | 80.1 | Confident | 37 Ų | 37 | 52.3 Ų | 52.3 | 24% | 0.24 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -19.5 | 176.3 | 24.8 | -34.3 | 0 | 0 | 0 | 112.9 | F367 | F367-P369 HydrophobicContact CE2-CB 4.23Š|
| 370 | H | 67.4 | Low | 80 | Confident | 173 Ų | 173 | 49.8 Ų | 49.8 | 80% | 0.801 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -17.1 | 178.1 | -62.3 | -65.5 | 0 | 0 | 0 | 114.2 | D368 | D368-H370 PolarHBondContact O-N 2.93Å; D368-H370 VanDerWaalsContact O-N 3.11Å; D368-H370 IonicContact OD1-CD2 3.11Å; D368-H370 PolarHBondContact OD1-CD2 3.46Å; D368-H370 IonicContact OD1-CG 2.84Å; D368-H370 PolarHBondContact OD1-N 3.01Å; D368-H370 VanDerWaalsContact OD1-N 3.09Å |
| 371 | V | 73.5 | Confident | 79.9 | Confident | 114 Ų | 114 | 54.1 Ų | 54.1 | 69% | 0.691 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.8 | -25.1 | -176.8 | -174 | 0 | 0 | 0 | 0 | 111.5 | D368 T373 | D368-V371 HydrophobicContact CB-CB 4.13Å; D368-V371 HydrophobicContact CB-CG2 4.06Å; D368-V371 PolarHBondContact O-N 2.97Å; D368-V371 VanDerWaalsContact O-N 3.1Å; V371-T373 PolarHBondContact O-N 3.26Å |
| 372 | A | 68.6 | Low | 79.7 | Confident | 21 Ų | 21 | 55.5 Ų | 55.5 | 17% | 0.174 | 29% | 0.291 | C | S | . | . | trans | -70.3 | 118.5 | -175 | 0 | 0 | 0 | 0 | 0 | 112.5 | F367 D368 V376 F377 | F367-A372 HydrophobicContact CB-CB 4.27Å; F367-A372 HydrophobicContact CD2-CB 3.9Å; F367-A372 HydrophobicContact CG-CB 4.38Å; D368-A372 VanDerWaalsContact O-CB 3.23Å; D368-A372 WeakPolarHBondContact O-CB 3.23Å; D368-A372 PolarHBondContact O-N 3.44Å; A372-V376 HydrophobicContact CB-CB 4.47Å; A372-V376 HydrophobicContact CB-CG1 4.34Å; A372-F377 HydrophobicContact CB-CD1 4.41Å; A372-F377 HydrophobicContact CB-CE1 3.54Å; A372-F377 HydrophobicContact CB-CE2 4.36Å; A372-F377 HydrophobicContact CB-CZ 3.5Å; A372-F377 VanDerWaalsContact CB-CZ 3.5Å | ||
| 373 | T | 72.1 | Confident | 79.5 | Confident | 80 Ų | 80 | 57.2 Ų | 57.2 | 49% | 0.491 | 30% | 0.3 | S | S | . | . | trans | -85.2 | 165.9 | 169 | 51.4 | 0 | 0 | 0 | 0 | 110.8 | V371 S375 V376 F377 | V371-T373 PolarHBondContact O-N 3.26Å; T373-S375 PolarHBondContact O-N 3.18Å; T373-S375 VanDerWaalsContact O-N 3.11Å; T373-S375 PolarHBondContact OG1-OG 3.24Å; T373-V376 WeakPolarHBondContact O-CB 3.38Å; T373-V376 PolarHBondContact O-N 2.63Å; T373-V376 WeakPolarHBondContact OG1-CG2 3.29Å; T373-F377 WeakPolarHBondContact O-CD2 3.27Å | ||
| 374 | H | 69.4 | Low | 79.3 | Confident | 124 Ų | 124 | 57.5 Ų | 57.5 | 57% | 0.574 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -54.8 | -33.7 | 179.5 | -167.4 | -61.4 | 0 | 0 | 0 | 113.4 | V376 F377 E378 | H374-V376 VanDerWaalsContact C-N 3.34Å; H374-V376 PolarHBondContact O-N 3.28Å; H374-F377 PolarHBondContact O-N 2.98Å; H374-E378 IonicContact CE1-OE1 3.66Å |
| 375 | S | 77.1 | Confident | 79.3 | Confident | 65 Ų | 65 | 56.9 Ų | 56.9 | 46% | 0.455 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.1 | -40.1 | 176.9 | 54.6 | 0 | 0 | 0 | 0 | 112.7 | T373 F377 E378 E379 | T373-S375 PolarHBondContact O-N 3.18Å; T373-S375 VanDerWaalsContact O-N 3.11Å; T373-S375 PolarHBondContact OG1-OG 3.24Å; S375-F377 VanDerWaalsContact C-N 3.28Å; S375-F377 PolarHBondContact O-N 2.63Å; S375-E378 PolarHBondContact O-N 3.11Å; S375-E379 PolarHBondContact O-N 2.94Å |
| 376 | V | 80.8 | Confident | 79.5 | Confident | 42 Ų | 42 | 58.8 Ų | 58.8 | 26% | 0.255 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -66.2 | -31.8 | -177.1 | 176.5 | 0 | 0 | 0 | 0 | 111.2 | A372 T373 H374 I380 | A372-V376 HydrophobicContact CB-CB 4.47Å; A372-V376 HydrophobicContact CB-CG1 4.34Å; T373-V376 WeakPolarHBondContact O-CB 3.38Å; T373-V376 PolarHBondContact O-N 2.63Å; T373-V376 WeakPolarHBondContact OG1-CG2 3.29Å; H374-V376 VanDerWaalsContact C-N 3.34Å; H374-V376 PolarHBondContact O-N 3.28Å; V376-I380 HydrophobicContact CG1-CD1 3.65Å; V376-I380 HydrophobicContact CG1-CG1 4.26Å; V376-I380 WeakPolarHBondContact O-CB 3.38Å; V376-I380 WeakPolarHBondContact O-CD1 3.25Å; V376-I380 WeakPolarHBondContact O-CG1 3.29Å; V376-I380 PolarHBondContact O-N 3.02Å |
| 377 | F | 81.7 | Confident | 79.8 | Confident | 36 Ų | 36 | 60.1 Ų | 60.1 | 16% | 0.158 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -69.6 | -35.6 | 178.4 | -57.8 | -57.2 | 0 | 0 | 0 | 113.2 | F367 A372 T373 H374 S375 R381 V399 R401 | F367-F377 HydrophobicContact CD1-CD1 4.48Å; F367-F377 HydrophobicContact CD1-CE1 4.39Å; F367-F377 HydrophobicContact CD2-CD1 4.47Å; F367-F377 AromaticContact CD2-CE1 3.64Å; F367-F377 HydrophobicContact CD2-CE1 3.64Å; F367-F377 HydrophobicContact CE1-CD1 4.32Å; F367-F377 HydrophobicContact CE1-CE1 4.22Å; F367-F377 HydrophobicContact CE2-CD1 4.34Å; F367-F377 AromaticContact CE2-CE1 3.46Å; F367-F377 HydrophobicContact CE2-CE1 3.46Å; F367-F377 VanDerWaalsContact CE2-CE1 3.46Å; F367-F377 HydrophobicContact CE2-CZ 4.29Å; F367-F377 HydrophobicContact CG-CE1 4.11Å; F367-F377 HydrophobicContact CZ-CD1 4.22Å; F367-F377 AromaticContact CZ-CE1 3.74Å; F367-F377 HydrophobicContact CZ-CE1 3.74Å; A372-F377 HydrophobicContact CB-CD1 4.41Å; A372-F377 HydrophobicContact CB-CE1 3.54Å; A372-F377 HydrophobicContact CB-CE2 4.36Å; A372-F377 HydrophobicContact CB-CZ 3.5Å; A372-F377 VanDerWaalsContact CB-CZ 3.5Å; T373-F377 WeakPolarHBondContact O-CD2 3.27Å; H374-F377 PolarHBondContact O-N 2.98Å; S375-F377 VanDerWaalsContact C-N 3.28Å; S375-F377 PolarHBondContact O-N 2.63Å; F377-R381 WeakPolarHBondContact O-CB 3.42Å; F377-R381 PolarHBondContact O-N 2.92Å; F377-V399 HydrophobicContact CB-CG1 4.36Å; F377-V399 HydrophobicContact CD1-CG1 3.92Å; F377-R401 HydrophobicContact CE1-CB 4.48Å; F377-R401 HydrophobicContact CE2-CB 4.43Å; F377-R401 HydrophobicContact CZ-CB 4.26Å |
| 378 | E | 82.2 | Confident | 80.1 | Confident | 75 Ų | 75 | 59.7 Ų | 59.7 | 35% | 0.35 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -70.8 | -43 | 175.3 | -64.4 | -63.9 | 158.4 | 0 | 0 | 110.2 | H374 S375 I380 R381 D382 | H374-E378 IonicContact CE1-OE1 3.66Å; S375-E378 PolarHBondContact O-N 3.11Å; E378-I380 PolarHBondContact O-N 3.37Å; E378-R381 WeakPolarHBondContact O-CB 3.37Å; E378-R381 PolarHBondContact O-N 3.36Å; E378-R381 VanDerWaalsContact O-N 3.13Å; E378-R381 IonicContact OE2-NH1 3.59Å; E378-D382 PolarHBondContact O-N 2.8Å |
| 379 | E | 84.5 | Confident | 80.7 | Confident | 116 Ų | 116 | 60.9 Ų | 60.9 | 54% | 0.542 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -58 | -47.3 | 174.4 | -69.9 | 172 | -166.8 | 0 | 0 | 111.8 | S375 R381 D382 D383 | S375-E379 PolarHBondContact O-N 2.94Å; E379-R381 VanDerWaalsContact C-N 3.28Å; E379-R381 PolarHBondContact O-N 3.23Å; E379-D382 PolarHBondContact O-N 2.64Å; E379-D383 WeakPolarHBondContact O-CB 3.41Å; E379-D383 VanDerWaalsContact O-CG 3.24Å; E379-D383 PolarHBondContact O-N 2.55Å |
| 380 | I | 84.9 | Confident | 81.4 | Confident | 3 Ų | 3 | 65 Ų | 65 | 2% | 0.015 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.7 | -40.6 | 176.5 | -70.9 | 164.9 | 0 | 0 | 0 | 111.4 | F367 V376 E378 V384 V408 F430 | F367-I380 HydrophobicContact CB-CD1 3.62Å; F367-I380 HydrophobicContact CD1-CD1 3.85Å; F367-I380 HydrophobicContact CG-CD1 4.06Å; V376-I380 HydrophobicContact CG1-CD1 3.65Å; V376-I380 HydrophobicContact CG1-CG1 4.26Å; V376-I380 WeakPolarHBondContact O-CB 3.38Å; V376-I380 WeakPolarHBondContact O-CD1 3.25Å; V376-I380 WeakPolarHBondContact O-CG1 3.29Å; V376-I380 PolarHBondContact O-N 3.02Å; E378-I380 PolarHBondContact O-N 3.37Å; I380-V384 HydrophobicContact CG2-CG2 4.28Å; I380-V384 WeakPolarHBondContact O-CB 3.49Å; I380-V384 WeakPolarHBondContact O-CG2 3.39Å; I380-V384 PolarHBondContact O-N 3.05Å; I380-V408 HydrophobicContact CG2-CG2 4.14Å; I380-F430 HydrophobicContact CD1-CE1 4.21Å; I380-F430 HydrophobicContact CG1-CE1 3.58Å; I380-F430 HydrophobicContact CG1-CZ 3.75Å |
| 381 | R | 86.8 | Confident | 82.1 | Confident | 90 Ų | 90 | 57.4 Ų | 57.4 | 34% | 0.34 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.9 | -47.5 | 178.9 | -176.6 | -171.7 | -178.8 | -173.8 | -0.4 | 110.1 | F377 E378 E379 V384 I385 I397 V399 | F377-R381 WeakPolarHBondContact O-CB 3.42Å; F377-R381 PolarHBondContact O-N 2.92Å; E378-R381 WeakPolarHBondContact O-CB 3.37Å; E378-R381 PolarHBondContact O-N 3.36Å; E378-R381 VanDerWaalsContact O-N 3.13Å; E378-R381 IonicContact OE2-NH1 3.59Å; E379-R381 VanDerWaalsContact C-N 3.28Å; E379-R381 PolarHBondContact O-N 3.23Å; R381-V384 PolarHBondContact O-N 3.22Å; R381-I385 HydrophobicContact CG-CD1 3.97Å; R381-I385 WeakPolarHBondContact O-CD1 3.36Å; R381-I385 WeakPolarHBondContact O-CG1 3.47Å; R381-I385 PolarHBondContact O-N 3.07Å; R381-I397 HydrophobicContact CG-CD1 4.07Å; R381-I397 HydrophobicContact CG-CG1 4.46Å; R381-I397 HydrophobicContact CG-CG2 3.84Å; R381-V399 HydrophobicContact CB-CG2 4.07Å |
| 382 | D | 87 | Confident | 82.3 | Confident | 30 Ų | 30 | 53.8 Ų | 53.8 | 16% | 0.16 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -66.9 | -41.4 | -179.6 | -76 | -32.1 | 0 | 0 | 0 | 112.2 | E378 E379 V384 I385 E386 P461 S462 | E378-D382 PolarHBondContact O-N 2.8Å; E379-D382 PolarHBondContact O-N 2.64Å; D382-V384 PolarHBondContact O-N 3.11Å; D382-I385 PolarHBondContact O-N 3.04Å; D382-E386 PolarHBondContact O-N 2.88Å; D382-P461 HydrophobicContact CB-CB 4.39Å; D382-P461 WeakPolarHBondContact OD1-CA 3.5Å; D382-S462 PolarHBondContact OD1-N 2.92Å; D382-S462 PolarHBondContact OD1-OG 3.4Å; D382-S462 PolarHBondContact OD2-OG 2.7Å |
| 383 | D | 86.4 | Confident | 83.1 | Confident | 70 Ų | 70 | 53 Ų | 53 | 37% | 0.374 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -59.5 | -46.3 | 174.9 | -74.8 | -16.8 | 0 | 0 | 0 | 111.7 | E379 I385 E386 E387 F430 | E379-D383 WeakPolarHBondContact O-CB 3.41Å; E379-D383 VanDerWaalsContact O-CG 3.24Å; E379-D383 PolarHBondContact O-N 2.55Å; D383-I385 VanDerWaalsContact C-N 3.31Å; D383-I385 PolarHBondContact O-N 3.34Å; D383-E386 PolarHBondContact O-N 2.78Å; D383-E387 WeakPolarHBondContact O-CG 3.31Å; D383-E387 PolarHBondContact O-N 3.25Å; D383-F430 HydrophobicContact CB-CE2 4.14Å; D383-F430 VanDerWaalsContact OD2-CE2 3.29Å; D383-F430 WeakPolarHBondContact OD2-CE2 3.41Å; D383-F430 WeakPolarHBondContact OD2-CZ 3.47Å |
| 384 | V | 87.2 | Confident | 83.8 | Confident | 5 Ų | 5 | 49.2 Ų | 49.2 | 3% | 0.03 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.4 | -36.6 | 178.7 | 175.1 | 0 | 0 | 0 | 0 | 110.6 | L363 M366 I380 R381 D382 C388 I397 V410 | L363-V384 HydrophobicContact CD1-CG1 4.07Å; L363-V384 HydrophobicContact CD1-CG2 4.13Å; M366-V384 HydrophobicContact SD-CG2 4.47Å; I380-V384 HydrophobicContact CG2-CG2 4.28Å; I380-V384 WeakPolarHBondContact O-CB 3.49Å; I380-V384 WeakPolarHBondContact O-CG2 3.39Å; I380-V384 PolarHBondContact O-N 3.05Å; R381-V384 PolarHBondContact O-N 3.22Å; D382-V384 PolarHBondContact O-N 3.11Å; V384-C388 VanDerWaalsContact O-CB 3.3Å; V384-C388 WeakPolarHBondContact O-CB 3.32Å; V384-C388 PolarHBondContact O-N 3.34Å; V384-C388 PolarHBondContact O-SG 3.23Å; V384-I397 HydrophobicContact CB-CD1 3.68Å; V384-I397 HydrophobicContact CG1-CD1 3.52Å; V384-V410 HydrophobicContact CG1-CG2 3.76Å |
| 385 | I | 88.4 | Confident | 84.6 | Confident | 3 Ų | 3 | 44.2 Ų | 44.2 | 2% | 0.015 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.4 | -44.4 | 174.6 | -68.7 | 164 | 0 | 0 | 0 | 110.6 | R381 D382 D383 E387 C388 T389 I397 P461 | R381-I385 HydrophobicContact CG-CD1 3.97Å; R381-I385 WeakPolarHBondContact O-CD1 3.36Å; R381-I385 WeakPolarHBondContact O-CG1 3.47Å; R381-I385 PolarHBondContact O-N 3.07Å; D382-I385 PolarHBondContact O-N 3.04Å; D383-I385 VanDerWaalsContact C-N 3.31Å; D383-I385 PolarHBondContact O-N 3.34Å; I385-E387 PolarHBondContact O-N 3.25Å; I385-C388 PolarHBondContact O-N 3.32Å; I385-T389 WeakPolarHBondContact O-CB 3.35Å; I385-T389 PolarHBondContact O-N 3.43Å; I385-T389 PolarHBondContact O-OG1 3.03Å; I385-I397 HydrophobicContact CD1-CG2 4.07Å; I385-I397 HydrophobicContact CG1-CD1 4.1Å; I385-I397 HydrophobicContact CG1-CG2 4.17Å; I385-P461 HydrophobicContact CG2-CB 4.31Å |
| 386 | E | 87.5 | Confident | 85 | Confident | 96 Ų | 96 | 42.6 Ų | 42.6 | 45% | 0.449 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61 | -45.9 | 179.5 | -163.8 | -161.3 | 132 | 0 | 0 | 110.9 | D382 D383 T389 K390 | D382-E386 PolarHBondContact O-N 2.88Å; D383-E386 PolarHBondContact O-N 2.78Å; E386-T389 WeakPolarHBondContact O-CB 3.35Å; E386-T389 PolarHBondContact O-N 3.41Å; E386-K390 PolarHBondContact O-N 2.94Å; E386-K390 WeakPolarHBondContact OE1-CE 3.49Å; E386-K390 IonicContact OE1-NZ 2.67Å; E386-K390 PolarHBondContact OE1-NZ 3.49Å |
| 387 | E | 86 | Confident | 85.4 | Confident | 31 Ų | 31 | 41 Ų | 41 | 15% | 0.145 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.8 | -42.7 | 176.3 | -69.5 | -59.7 | 127.2 | 0 | 0 | 111.7 | D383 I385 T389 K390 M424 L425 R428 | D383-E387 WeakPolarHBondContact O-CG 3.31Å; D383-E387 PolarHBondContact O-N 3.25Å; I385-E387 PolarHBondContact O-N 3.25Å; E387-T389 PolarHBondContact O-N 2.95Å; E387-K390 WeakPolarHBondContact O-CB 3.27Å; E387-K390 PolarHBondContact O-N 3.49Å; E387-K390 IonicContact OE1-NZ 2.73Å; E387-K390 PolarHBondContact OE1-NZ 2.93Å; E387-M424 HydrophobicContact CB-CE 3.97Å; E387-M424 WeakPolarHBondContact O-CE 3.42Å; E387-M424 WeakPolarHBondContact OE2-CE 3.42Å; E387-L425 HydrophobicContact CB-CD2 3.98Å; E387-L425 HydrophobicContact CG-CD2 4.2Å; E387-R428 VanDerWaalsContact CD-NH1 3.29Å; E387-R428 IonicContact OE1-NH1 3.02Å; E387-R428 IonicContact OE2-CZ 2.86Å; E387-R428 IonicContact OE2-NH1 2.77Å; E387-R428 PolarHBondContact OE2-NH1 3.1Å; E387-R428 IonicContact OE2-NH2 2.7Å |
| 388 | C | 86.2 | Confident | 85.7 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.7 | -32.9 | 175.1 | -70.1 | 0 | 0 | 0 | 0 | 112.1 | V384 I385 K390 A391 G392 G393 C394 | V384-C388 VanDerWaalsContact O-CB 3.3Å; V384-C388 WeakPolarHBondContact O-CB 3.32Å; V384-C388 PolarHBondContact O-N 3.34Å; V384-C388 PolarHBondContact O-SG 3.23Å; I385-C388 PolarHBondContact O-N 3.32Å; C388-K390 VanDerWaalsContact C-N 3.28Å; C388-K390 PolarHBondContact O-N 3.04Å; C388-A391 PolarHBondContact O-N 3.4Å; C388-G392 PolarHBondContact O-N 2.85Å; C388-G392 VanDerWaalsContact O-N 3.1Å; C388-G393 WeakPolarHBondContact O-CA 3.24Å; C388-G393 PolarHBondContact O-N 3.37Å; C388-C394 HydrophobicContact CB-CB 4.01Å |
| 389 | T | 87.3 | Confident | 85.9 | Confident | 68 Ų | 68 | 40.8 Ų | 40.8 | 42% | 0.417 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -63.8 | -33.7 | 178 | -58.1 | 0 | 0 | 0 | 0 | 111.6 | I385 E386 E387 A391 G392 | I385-T389 WeakPolarHBondContact O-CB 3.35Å; I385-T389 PolarHBondContact O-N 3.43Å; I385-T389 PolarHBondContact O-OG1 3.03Å; E386-T389 WeakPolarHBondContact O-CB 3.35Å; E386-T389 PolarHBondContact O-N 3.41Å; E387-T389 PolarHBondContact O-N 2.95Å; T389-A391 VanDerWaalsContact C-N 3.29Å; T389-A391 PolarHBondContact O-N 2.88Å; T389-G392 PolarHBondContact O-N 2.92Å |
| 390 | K | 85.5 | Confident | 85.9 | Confident | 123 Ų | 123 | 36.5 Ų | 36.5 | 54% | 0.535 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -63.9 | -31.3 | 176.2 | -66.5 | 168.1 | -170.8 | 163.4 | 0 | 113 | E386 E387 C388 M424 | E386-K390 PolarHBondContact O-N 2.94Å; E386-K390 WeakPolarHBondContact OE1-CE 3.49Å; E386-K390 IonicContact OE1-NZ 2.67Å; E386-K390 PolarHBondContact OE1-NZ 3.49Å; E387-K390 WeakPolarHBondContact O-CB 3.27Å; E387-K390 PolarHBondContact O-N 3.49Å; E387-K390 IonicContact OE1-NZ 2.73Å; E387-K390 PolarHBondContact OE1-NZ 2.93Å; C388-K390 VanDerWaalsContact C-N 3.28Å; C388-K390 PolarHBondContact O-N 3.04Å; K390-M424 HydrophobicContact CB-CE 4.27Å |
| 391 | A | 81.2 | Confident | 85.8 | Confident | 14 Ų | 14 | 44.5 Ų | 44.5 | 12% | 0.116 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -93.9 | -20.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | C388 T389 V417 Q420 C421 | C388-A391 PolarHBondContact O-N 3.4Å; T389-A391 VanDerWaalsContact C-N 3.29Å; T389-A391 PolarHBondContact O-N 2.88Å; A391-V417 HydrophobicContact CB-CG1 4.41Å; A391-Q420 HydrophobicContact CB-CB 3.76Å; A391-Q420 PolarHBondContact O-OE1 2.94Å; A391-Q420 VanDerWaalsContact O-OE1 3.13Å; A391-C421 VanDerWaalsContact CB-SG 3.56Å |
| 392 | G | 78.6 | Confident | 85.2 | Confident | 37 Ų | 37 | 45.9 Ų | 45.9 | 38% | 0.381 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 144.2 | 10.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | C388 T389 | C388-G392 PolarHBondContact O-N 2.85Å; C388-G392 VanDerWaalsContact O-N 3.1Å; T389-G392 PolarHBondContact O-N 2.92Å |
| 393 | G | 84.5 | Confident | 84.5 | Confident | 5 Ų | 5 | 45.3 Ų | 45.3 | 5% | 0.052 | 24% | 0.236 | C | C | . | . | trans | 87.7 | 166.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | C388 P413 | C388-G393 WeakPolarHBondContact O-CA 3.24Å; C388-G393 PolarHBondContact O-N 3.37Å; G393-P413 VanDerWaalsContact O-CD 3.26Å; G393-P413 WeakPolarHBondContact O-CD 3.34Å | ||
| 394 | C | 86.1 | Confident | 83.9 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | trans | -122.7 | 144.9 | 175.3 | 61.8 | 0 | 0 | 0 | 0 | 110.6 | C388 V410 L458 L459 | C388-C394 HydrophobicContact CB-CB 4.01Å; C394-V410 HydrophobicContact CB-CG1 3.81Å; C394-L458 WeakPolarHBondContact O-CA 3.38Å; C394-L459 PolarHBondContact O-N 2.72Å | ||
| 395 | L | 86.3 | Confident | 83.2 | Confident | 20 Ų | 20 | 52.1 Ų | 52.1 | 11% | 0.105 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -90.3 | -34 | 176.8 | -70 | 175 | 0 | 0 | 0 | 111.9 | K411 P413 A455 K456 L458 | L395-K411 HydrophobicContact CB-CG 4.39Å; L395-K411 PolarHBondContact N-O 3.09Å; L395-P413 HydrophobicContact CD1-CB 4.13Å; L395-P413 HydrophobicContact CG-CB 4.2Å; L395-A455 HydrophobicContact CB-CB 4.48Å; L395-K456 VanDerWaalsContact CD2-C 3.47Å; L395-L458 HydrophobicContact CD2-CD2 4.09Å |
| 396 | H | 86.9 | Confident | 82.9 | Confident | 30 Ų | 30 | 52 Ų | 52 | 14% | 0.139 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 137.3 | -177.3 | -172.9 | -93.5 | 0 | 0 | 0 | 109.7 | V410 K411 Y445 F449 | H396-V410 WeakPolarHBondContact O-CA 3.42Å; H396-K411 HydrophobicContact CB-CB 3.95Å; H396-K411 PolarHBondContact N-O 3.3Å; H396-K411 PolarHBondContact O-N 3.45Å; H396-Y445 AromaticContact ND1-CE1 3.77Å; H396-Y445 AromaticContact ND1-CZ 3.79Å; H396-Y445 PolarHBondContact ND1-OH 2.86Å; H396-Y445 PolarHBondContact O-OH 3Å; H396-F449 AromaticContact CE1-CG 3.78Å |
| 397 | I | 88.4 | Confident | 83 | Confident | 9 Ų | 9 | 48.1 Ų | 48.1 | 5% | 0.046 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 135 | 173.7 | -172.2 | 166.9 | 0 | 0 | 0 | 108.9 | R381 V384 I385 V408 Y409 V410 L459 | R381-I397 HydrophobicContact CG-CD1 4.07Å; R381-I397 HydrophobicContact CG-CG1 4.46Å; R381-I397 HydrophobicContact CG-CG2 3.84Å; V384-I397 HydrophobicContact CB-CD1 3.68Å; V384-I397 HydrophobicContact CG1-CD1 3.52Å; I385-I397 HydrophobicContact CD1-CG2 4.07Å; I385-I397 HydrophobicContact CG1-CD1 4.1Å; I385-I397 HydrophobicContact CG1-CG2 4.17Å; I397-V408 HydrophobicContact CD1-CG1 4.18Å; I397-V408 HydrophobicContact CG1-CG1 4.03Å; I397-Y409 WeakPolarHBondContact CA-O 3.38Å; I397-V410 HydrophobicContact CD1-CG2 4.41Å; I397-V410 HydrophobicContact CG1-CG2 4.27Å; I397-L459 HydrophobicContact CG2-CD1 3.9Å |
| 398 | F | 87.3 | Confident | 83.2 | Confident | 83 Ų | 83 | 46.6 Ų | 46.6 | 36% | 0.364 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 122.8 | 174.1 | -176.6 | -92.1 | 0 | 0 | 0 | 110 | D400 Y409 F449 | F398-D400 HydrophobicContact CD1-CB 4.3Å; F398-D400 HydrophobicContact CE1-CB 3.97Å; F398-Y409 HydrophobicContact CD1-CD2 4.42Å; F398-Y409 PolarHBondContact N-O 3.15Å; F398-Y409 PolarHBondContact O-N 2.86Å; F398-F449 HydrophobicContact CB-CD1 4.2Å; F398-F449 HydrophobicContact CB-CE1 3.7Å; F398-F449 HydrophobicContact CB-CE2 4.32Å; F398-F449 HydrophobicContact CB-CZ 3.77Å; F398-F449 HydrophobicContact CD1-CD1 4.41Å; F398-F449 AromaticContact CD1-CE1 3.24Å; F398-F449 HydrophobicContact CD1-CE1 3.24Å; F398-F449 HydrophobicContact CD1-CE2 4.41Å; F398-F449 AromaticContact CD1-CZ 3.24Å; F398-F449 HydrophobicContact CD1-CZ 3.24Å; F398-F449 HydrophobicContact CD2-CD1 4.19Å; F398-F449 AromaticContact CD2-CE1 3.65Å; F398-F449 HydrophobicContact CD2-CE1 3.65Å; F398-F449 HydrophobicContact CD2-CZ 4.42Å; F398-F449 AromaticContact CE1-CE1 3.64Å; F398-F449 HydrophobicContact CE1-CE1 3.64Å; F398-F449 AromaticContact CE1-CZ 3.86Å; F398-F449 HydrophobicContact CE1-CZ 3.86Å; F398-F449 HydrophobicContact CE2-CE1 4.03Å; F398-F449 HydrophobicContact CG-CD1 4.01Å; F398-F449 AromaticContact CG-CE1 3.23Å; F398-F449 HydrophobicContact CG-CE1 3.23Å; F398-F449 AromaticContact CG-CZ 3.56Å; F398-F449 HydrophobicContact CG-CZ 3.56Å; F398-F449 HydrophobicContact CZ-CE1 4.01Å |
| 399 | V | 87.3 | Confident | 83.4 | Confident | 23 Ų | 23 | 48.2 Ų | 48.2 | 14% | 0.139 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 113.2 | 175.9 | -179.8 | 0 | 0 | 0 | 0 | 107.9 | F367 F377 R381 R401 V408 | F367-V399 HydrophobicContact CD1-CG1 4.47Å; F367-V399 HydrophobicContact CE1-CG1 3.71Å; F367-V399 HydrophobicContact CZ-CG1 4.28Å; F377-V399 HydrophobicContact CB-CG1 4.36Å; F377-V399 HydrophobicContact CD1-CG1 3.92Å; R381-V399 HydrophobicContact CB-CG2 4.07Å; V399-R401 PolarHBondContact O-N 3.12Å; V399-R401 VanDerWaalsContact O-N 3.12Å; V399-V408 HydrophobicContact CG1-CG2 4.24Å; V399-V408 HydrophobicContact CG2-CG1 4.11Å; V399-V408 HydrophobicContact CG2-CG2 4.22Å |
| 400 | D | 84.7 | Confident | 83.5 | Confident | 26 Ų | 26 | 45 Ų | 45 | 14% | 0.139 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 90.1 | -178.3 | -178.6 | 7.1 | 0 | 0 | 0 | 111.4 | F367 F398 T402 S403 N407 Y409 | F367-D400 WeakPolarHBondContact CZ-O 3.36Å; F398-D400 HydrophobicContact CD1-CB 4.3Å; F398-D400 HydrophobicContact CE1-CB 3.97Å; D400-T402 PolarHBondContact O-N 3.35Å; D400-T402 PolarHBondContact OD1-N 2.8Å; D400-T402 PolarHBondContact OD1-OG1 3.13Å; D400-S403 PolarHBondContact O-N 2.84Å; D400-S403 VanDerWaalsContact O-N 3.13Å; D400-S403 PolarHBondContact OD1-N 2.86Å; D400-S403 WeakPolarHBondContact OD2-CB 3.17Å; D400-S403 PolarHBondContact OD2-OG 2.97Å; D400-N407 WeakPolarHBondContact CB-O 3.3Å; D400-N407 PolarHBondContact N-O 2.6Å; D400-Y409 HydrophobicContact CB-CE2 4.24Å |
| 401 | R | 81.5 | Confident | 83.7 | Confident | 171 Ų | 171 | 39.7 Ų | 39.7 | 65% | 0.645 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -15.3 | 175.2 | 60 | 177.2 | 142.7 | -158.5 | -8.6 | 115.3 | F377 V399 | F377-R401 HydrophobicContact CE1-CB 4.48Å; F377-R401 HydrophobicContact CE2-CB 4.43Å; F377-R401 HydrophobicContact CZ-CB 4.26Å; V399-R401 PolarHBondContact O-N 3.12Å; V399-R401 VanDerWaalsContact O-N 3.12Å |
| 402 | T | 75.9 | Confident | 84 | Confident | 120 Ų | 120 | 39 Ų | 39 | 74% | 0.736 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | -14.1 | -179.3 | 65.8 | 0 | 0 | 0 | 0 | 113.2 | D400 A404 | D400-T402 PolarHBondContact O-N 3.35Å; D400-T402 PolarHBondContact OD1-N 2.8Å; D400-T402 PolarHBondContact OD1-OG1 3.13Å; T402-A404 PolarHBondContact O-N 3.05Å |
| 403 | S | 71.6 | Confident | 84.4 | Confident | 17 Ų | 17 | 39.7 Ų | 39.7 | 12% | 0.119 | 21% | 0.21 | C | C | . | . | trans | -71.2 | 119.9 | -178.6 | -92.2 | 0 | 0 | 0 | 0 | 111.7 | D400 Q405 G406 N407 | D400-S403 PolarHBondContact O-N 2.84Å; D400-S403 VanDerWaalsContact O-N 3.13Å; D400-S403 PolarHBondContact OD1-N 2.86Å; D400-S403 WeakPolarHBondContact OD2-CB 3.17Å; D400-S403 PolarHBondContact OD2-OG 2.97Å; S403-Q405 PolarHBondContact O-N 3.02Å; S403-G406 PolarHBondContact O-N 2.81Å; S403-N407 PolarHBondContact OG-ND2 2.81Å; S403-N407 VanDerWaalsContact OG-ND2 3.11Å | ||
| 404 | A | 73 | Confident | 84.5 | Confident | 89 Ų | 89 | 42 Ų | 42 | 74% | 0.736 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -25 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | T402 | T402-A404 PolarHBondContact O-N 3.05Š|
| 405 | Q | 73.3 | Confident | 84.7 | Confident | 130 Ų | 130 | 45.7 Ų | 45.7 | 61% | 0.607 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | 0.7 | -177.9 | -62.1 | -175 | -9.4 | 0 | 0 | 113.6 | N365 S403 | N365-Q405 WeakPolarHBondContact CA-O 3.42Å; N365-Q405 PolarHBondContact N-O 3.44Å; S403-Q405 PolarHBondContact O-N 3.02Å |
| 406 | G | 82.9 | Confident | 84.8 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | trans | 63.3 | 61.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | N365 M366 S403 | N365-G406 PolarHBondContact N-O 3.17Å; M366-G406 WeakPolarHBondContact CB-O 3.26Å; M366-G406 PolarHBondContact N-O 3.25Å; S403-G406 PolarHBondContact O-N 2.81Å | ||
| 407 | N | 89 | Confident | 84.9 | Confident | 14 Ų | 14 | 47 Ų | 47 | 8% | 0.075 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 137.6 | -173.8 | -64.6 | -29 | 0 | 0 | 0 | 112.2 | M362 L363 S364 D400 S403 Y409 | M362-N407 HydrophobicContact CG-CB 4.29Å; M362-N407 HydrophobicContact SD-CB 4.15Å; L363-N407 CarbonylContact O-C 3.54Å; L363-N407 VanDerWaalsContact O-CA 3.24Å; L363-N407 WeakPolarHBondContact O-CA 3.41Å; S364-N407 WeakPolarHBondContact CA-OD1 3.29Å; S364-N407 VanDerWaalsContact CB-OD1 3.31Å; S364-N407 WeakPolarHBondContact CB-OD1 3.33Å; D400-N407 WeakPolarHBondContact CB-O 3.3Å; D400-N407 PolarHBondContact N-O 2.6Å; S403-N407 PolarHBondContact OG-ND2 2.81Å; S403-N407 VanDerWaalsContact OG-ND2 3.11Å; N407-Y409 HydrophobicContact CB-CE2 4.18Å |
| 408 | V | 89.2 | Confident | 85 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 128.6 | 175.3 | -177.1 | 0 | 0 | 0 | 0 | 109.2 | M362 L363 M366 I380 I397 V399 V410 | M362-V408 CarbonylContact C-O 3.53Å; M362-V408 WeakPolarHBondContact CA-O 3.09Å; L363-V408 HydrophobicContact CB-CB 4.3Å; L363-V408 PolarHBondContact N-O 2.8Å; L363-V408 PolarHBondContact O-N 3.03Å; M366-V408 HydrophobicContact CB-CG2 3.98Å; M366-V408 HydrophobicContact CG-CB 4.46Å; M366-V408 HydrophobicContact CG-CG2 3.89Å; I380-V408 HydrophobicContact CG2-CG2 4.14Å; I397-V408 HydrophobicContact CD1-CG1 4.18Å; I397-V408 HydrophobicContact CG1-CG1 4.03Å; V399-V408 HydrophobicContact CG1-CG2 4.24Å; V399-V408 HydrophobicContact CG2-CG1 4.11Å; V399-V408 HydrophobicContact CG2-CG2 4.22Å; V408-V410 HydrophobicContact CG1-CG2 4.27Å |
| 409 | Y | 90.4 | Very high | 85.1 | Confident | 33 Ų | 33 | 44.6 Ų | 44.6 | 13% | 0.129 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 121.3 | -175.7 | -69.6 | -83.3 | 0 | 0 | 0 | 110.6 | M362 I397 F398 D400 N407 Y445 L448 F449 | M362-Y409 HydrophobicContact CB-CD1 3.99Å; M362-Y409 HydrophobicContact CB-CE1 3.97Å; M362-Y409 HydrophobicContact CG-CD1 3.99Å; M362-Y409 HydrophobicContact CG-CE1 3.71Å; M362-Y409 HydrophobicContact SD-CD1 4.47Å; M362-Y409 HydrophobicContact SD-CE1 3.61Å; I397-Y409 WeakPolarHBondContact CA-O 3.38Å; F398-Y409 HydrophobicContact CD1-CD2 4.42Å; F398-Y409 PolarHBondContact N-O 3.15Å; F398-Y409 PolarHBondContact O-N 2.86Å; D400-Y409 HydrophobicContact CB-CE2 4.24Å; N407-Y409 HydrophobicContact CB-CE2 4.18Å; Y409-Y445 HydrophobicContact CD1-CE2 4.43Å; Y409-Y445 PolarHBondContact O-OH 3.25Å; Y409-L448 HydrophobicContact CE1-CD1 4.08Å; Y409-F449 HydrophobicContact CD1-CE2 4.25Å; Y409-F449 AromaticContact CD2-CE2 3.95Å; Y409-F449 HydrophobicContact CD2-CE2 3.95Å; Y409-F449 AromaticContact CD2-CZ 3.9Å; Y409-F449 HydrophobicContact CD2-CZ 3.9Å; Y409-F449 AromaticContact CG-CE2 3.7Å; Y409-F449 HydrophobicContact CG-CE2 3.7Å; Y409-F449 HydrophobicContact CG-CZ 4.13Å |
| 410 | V | 89.9 | Confident | 85.2 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 136 | -177 | -172.7 | 0 | 0 | 0 | 0 | 110.9 | C360 F361 V384 C394 H396 I397 V408 | C360-V410 WeakPolarHBondContact CA-O 3.26Å; F361-V410 HydrophobicContact CD1-CB 4.47Å; F361-V410 HydrophobicContact CD2-CB 4.33Å; F361-V410 HydrophobicContact CE1-CB 3.98Å; F361-V410 HydrophobicContact CE1-CG1 3.97Å; F361-V410 HydrophobicContact CE2-CB 3.82Å; F361-V410 HydrophobicContact CE2-CG1 4.41Å; F361-V410 HydrophobicContact CE2-CG2 3.91Å; F361-V410 HydrophobicContact CZ-CB 3.61Å; F361-V410 HydrophobicContact CZ-CG1 3.72Å; F361-V410 HydrophobicContact CZ-CG2 4.03Å; F361-V410 PolarHBondContact N-O 3.06Å; F361-V410 PolarHBondContact O-N 3.38Å; V384-V410 HydrophobicContact CG1-CG2 3.76Å; C394-V410 HydrophobicContact CB-CG1 3.81Å; H396-V410 WeakPolarHBondContact O-CA 3.42Å; I397-V410 HydrophobicContact CD1-CG2 4.41Å; I397-V410 HydrophobicContact CG1-CG2 4.27Å; V408-V410 HydrophobicContact CG1-CG2 4.27Å |
| 411 | K | 89.6 | Confident | 85.5 | Confident | 13 Ų | 13 | 47.3 Ų | 47.3 | 6% | 0.057 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 123.6 | 170.6 | -178.1 | 175.5 | 178.7 | -177.8 | 0 | 110 | L395 H396 Y445 H446 S452 | L395-K411 HydrophobicContact CB-CG 4.39Å; L395-K411 PolarHBondContact N-O 3.09Å; H396-K411 HydrophobicContact CB-CB 3.95Å; H396-K411 PolarHBondContact N-O 3.3Å; H396-K411 PolarHBondContact O-N 3.45Å; K411-Y445 HydrophobicContact CB-CD1 4.49Å; K411-Y445 HydrophobicContact CB-CE1 3.84Å; K411-Y445 HydrophobicContact CD-CE1 4.38Å; K411-Y445 PolarHBondContact N-OH 2.9Å; K411-H446 PolarHBondContact NZ-NE2 3.06Å; K411-S452 PolarHBondContact NZ-O 3.34Å |
| 412 | C | 88.5 | Confident | 85.9 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | trans | -98.6 | 158.8 | 174.8 | -73.5 | 0 | 0 | 0 | 0 | 111.9 | Q359 S414 V417 A418 | Q359-C412 PolarHBondContact O-N 2.9Å; C412-S414 VanDerWaalsContact C-N 3.34Å; C412-V417 HydrophobicContact CB-CB 4.24Å; C412-V417 HydrophobicContact CB-CG1 4.11Å; C412-A418 HydrophobicContact CB-CB 4.01Å | ||
| 413 | P | 87.3 | Confident | 86.5 | Confident | 51 Ų | 51 | 39.6 Ų | 39.6 | 33% | 0.331 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -70.8 | -27.8 | 177.4 | 28.6 | -35.8 | 0 | 0 | 0 | 113.5 | G393 L395 V417 L458 | G393-P413 VanDerWaalsContact O-CD 3.26Å; G393-P413 WeakPolarHBondContact O-CD 3.34Å; L395-P413 HydrophobicContact CD1-CB 4.13Å; L395-P413 HydrophobicContact CG-CB 4.2Å; P413-V417 HydrophobicContact CG-CG2 4.4Å; P413-L458 HydrophobicContact CG-CD2 4.09Å |
| 414 | S | 86.2 | Confident | 87.2 | Confident | 52 Ų | 52 | 41.2 Ų | 41.2 | 36% | 0.364 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -138.7 | 152.7 | -177.8 | 177.2 | 0 | 0 | 0 | 0 | 110.9 | C412 A416 V417 A418 | C412-S414 VanDerWaalsContact C-N 3.34Å; S414-A416 PolarHBondContact O-N 3.13Å; S414-A416 PolarHBondContact OG-N 3.28Å; S414-V417 PolarHBondContact O-N 3.1Å; S414-A418 PolarHBondContact O-N 3.45Å |
| 415 | I | 89.1 | Confident | 87.8 | Confident | 78 Ų | 78 | 37.4 Ų | 37.4 | 40% | 0.4 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -61.6 | -37.4 | 174.9 | -57.9 | 172.8 | 0 | 0 | 0 | 109.5 | C357 Q359 V417 A418 T419 | C357-I415 HydrophobicContact CB-CG2 4.43Å; C357-I415 WeakPolarHBondContact SG-CG2 3.46Å; Q359-I415 HydrophobicContact CG-CB 4.49Å; Q359-I415 HydrophobicContact CG-CG1 3.5Å; I415-V417 VanDerWaalsContact C-N 3.33Å; I415-V417 PolarHBondContact O-N 3.1Å; I415-A418 WeakPolarHBondContact O-CB 3.32Å; I415-A418 PolarHBondContact O-N 2.96Å; I415-T419 PolarHBondContact O-N 2.9Å; I415-T419 PolarHBondContact O-OG1 2.97Å |
| 416 | A | 88.3 | Confident | 88.6 | Confident | 59 Ų | 59 | 36.1 Ų | 36.1 | 49% | 0.488 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -61.9 | -41.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | S414 T419 Q420 | S414-A416 PolarHBondContact O-N 3.13Å; S414-A416 PolarHBondContact OG-N 3.28Å; A416-T419 PolarHBondContact O-N 3.39Å; A416-Q420 WeakPolarHBondContact O-CG 2.98Å; A416-Q420 PolarHBondContact O-N 3.17Å; A416-Q420 VanDerWaalsContact O-N 3.1Å |
| 417 | V | 90 | Very high | 88.7 | Confident | 20 Ų | 20 | 37.9 Ų | 37.9 | 12% | 0.121 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -67.1 | -44.7 | 176.2 | 178 | 0 | 0 | 0 | 0 | 109.8 | A391 C412 P413 S414 I415 T419 Q420 C421 | A391-V417 HydrophobicContact CB-CG1 4.41Å; C412-V417 HydrophobicContact CB-CB 4.24Å; C412-V417 HydrophobicContact CB-CG1 4.11Å; P413-V417 HydrophobicContact CG-CG2 4.4Å; S414-V417 PolarHBondContact O-N 3.1Å; I415-V417 VanDerWaalsContact C-N 3.33Å; I415-V417 PolarHBondContact O-N 3.1Å; V417-T419 VanDerWaalsContact C-N 3.32Å; V417-T419 PolarHBondContact O-N 3.28Å; V417-Q420 PolarHBondContact O-N 3.43Å; V417-C421 PolarHBondContact O-N 3.47Å; V417-C421 PolarHBondContact O-SG 2.85Å |
| 418 | A | 90.2 | Very high | 88.5 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57.5 | -44.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | T358 F361 C412 S414 I415 Q420 C421 V422 | T358-A418 VanDerWaalsContact O-CB 3.29Å; T358-A418 WeakPolarHBondContact O-CB 3.42Å; F361-A418 HydrophobicContact CD1-CB 4.26Å; C412-A418 HydrophobicContact CB-CB 4.01Å; S414-A418 PolarHBondContact O-N 3.45Å; I415-A418 WeakPolarHBondContact O-CB 3.32Å; I415-A418 PolarHBondContact O-N 2.96Å; A418-Q420 VanDerWaalsContact C-N 3.35Å; A418-Q420 PolarHBondContact O-N 3.32Å; A418-C421 PolarHBondContact O-N 3.38Å; A418-V422 WeakPolarHBondContact O-CB 3.45Å; A418-V422 VanDerWaalsContact O-CG2 3.27Å; A418-V422 WeakPolarHBondContact O-CG2 3.38Å; A418-V422 PolarHBondContact O-N 2.85Å |
| 419 | T | 90 | Very high | 88.1 | Confident | 40 Ų | 40 | 50.9 Ų | 50.9 | 25% | 0.245 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.3 | -41.2 | 177.3 | -54.2 | 0 | 0 | 0 | 0 | 112.4 | C357 I415 A416 V417 N423 Y439 | C357-T419 PolarHBondContact SG-OG1 3.31Å; I415-T419 PolarHBondContact O-N 2.9Å; I415-T419 PolarHBondContact O-OG1 2.97Å; A416-T419 PolarHBondContact O-N 3.39Å; V417-T419 VanDerWaalsContact C-N 3.32Å; V417-T419 PolarHBondContact O-N 3.28Å; T419-N423 WeakPolarHBondContact O-CB 3.23Å; T419-N423 PolarHBondContact O-N 3.21Å; T419-N423 PolarHBondContact O-ND2 2.8Å; T419-Y439 WeakPolarHBondContact CA-OH 3.42Å |
| 420 | Q | 89.6 | Confident | 87.5 | Confident | 107 Ų | 107 | 51.3 Ų | 51.3 | 50% | 0.5 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -65.4 | -45.2 | 175.7 | -72.9 | -179.2 | 6.8 | 0 | 0 | 111.7 | A391 A416 V417 A418 N423 M424 | A391-Q420 HydrophobicContact CB-CB 3.76Å; A391-Q420 PolarHBondContact O-OE1 2.94Å; A391-Q420 VanDerWaalsContact O-OE1 3.13Å; A416-Q420 WeakPolarHBondContact O-CG 2.98Å; A416-Q420 PolarHBondContact O-N 3.17Å; A416-Q420 VanDerWaalsContact O-N 3.1Å; V417-Q420 PolarHBondContact O-N 3.43Å; A418-Q420 VanDerWaalsContact C-N 3.35Å; A418-Q420 PolarHBondContact O-N 3.32Å; Q420-N423 PolarHBondContact O-N 3.24Å; Q420-M424 VanDerWaalsContact O-CB 3.29Å; Q420-M424 WeakPolarHBondContact O-CB 3.31Å; Q420-M424 PolarHBondContact O-N 3.33Å |
| 421 | C | 89.4 | Confident | 86.7 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60 | -47.3 | 176 | -65.8 | 0 | 0 | 0 | 0 | 111.8 | F361 A391 V417 A418 M424 L425 | F361-C421 HydrophobicContact CE1-CB 3.59Å; F361-C421 HydrophobicContact CE2-CB 4.5Å; F361-C421 HydrophobicContact CZ-CB 3.53Å; A391-C421 VanDerWaalsContact CB-SG 3.56Å; V417-C421 PolarHBondContact O-N 3.47Å; V417-C421 PolarHBondContact O-SG 2.85Å; A418-C421 PolarHBondContact O-N 3.38Å; C421-M424 PolarHBondContact O-N 2.84Å; C421-L425 WeakPolarHBondContact O-CB 3.44Å; C421-L425 WeakPolarHBondContact O-CG 3.18Å; C421-L425 PolarHBondContact O-N 3.11Å |
| 422 | V | 90.6 | Very high | 86.2 | Confident | 9 Ų | 9 | 59 Ų | 59 | 6% | 0.055 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.7 | -47.2 | 179.1 | 169.5 | 0 | 0 | 0 | 0 | 110.2 | F361 A418 M424 L425 H426 A437 Y439 | F361-V422 HydrophobicContact CB-CG2 3.6Å; F361-V422 HydrophobicContact CD1-CG2 3.82Å; F361-V422 HydrophobicContact CD2-CG2 4.01Å; F361-V422 HydrophobicContact CE1-CG2 4.49Å; F361-V422 HydrophobicContact CG-CG2 3.54Å; A418-V422 WeakPolarHBondContact O-CB 3.45Å; A418-V422 VanDerWaalsContact O-CG2 3.27Å; A418-V422 WeakPolarHBondContact O-CG2 3.38Å; A418-V422 PolarHBondContact O-N 2.85Å; V422-M424 PolarHBondContact O-N 2.9Å; V422-L425 PolarHBondContact O-N 2.64Å; V422-H426 WeakPolarHBondContact O-CA 3.25Å; V422-H426 WeakPolarHBondContact O-CB 3.19Å; V422-H426 PolarHBondContact O-N 2.92Å; V422-A437 HydrophobicContact CG1-CB 4.01Å; V422-A437 HydrophobicContact CG2-CB 4.5Å; V422-Y439 HydrophobicContact CB-CE1 4.45Å; V422-Y439 HydrophobicContact CG1-CE2 4.08Å; V422-Y439 HydrophobicContact CG2-CD1 4.42Å; V422-Y439 HydrophobicContact CG2-CE1 3.89Å |
| 423 | N | 88.4 | Confident | 85.7 | Confident | 119 Ų | 119 | 63 Ų | 63 | 64% | 0.636 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -63.5 | -30.5 | 178.2 | -70.6 | -14.3 | 0 | 0 | 0 | 112.9 | T419 Q420 | T419-N423 WeakPolarHBondContact O-CB 3.23Å; T419-N423 PolarHBondContact O-N 3.21Å; T419-N423 PolarHBondContact O-ND2 2.8Å; Q420-N423 PolarHBondContact O-N 3.24Å |
| 424 | M | 86.1 | Confident | 85.6 | Confident | 52 Ų | 52 | 64.1 Ų | 64.1 | 26% | 0.256 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -80.4 | -38 | 179.5 | -173.9 | 164.6 | 71 | 0 | 0 | 112.6 | E387 K390 Q420 C421 V422 R428 | E387-M424 HydrophobicContact CB-CE 3.97Å; E387-M424 WeakPolarHBondContact O-CE 3.42Å; E387-M424 WeakPolarHBondContact OE2-CE 3.42Å; K390-M424 HydrophobicContact CB-CE 4.27Å; Q420-M424 VanDerWaalsContact O-CB 3.29Å; Q420-M424 WeakPolarHBondContact O-CB 3.31Å; Q420-M424 PolarHBondContact O-N 3.33Å; C421-M424 PolarHBondContact O-N 2.84Å; V422-M424 PolarHBondContact O-N 2.9Å; M424-R428 WeakPolarHBondContact O-CD 3.4Å; M424-R428 WeakPolarHBondContact O-CG 3.39Å; M424-R428 PolarHBondContact O-NE 3.1Å; M424-R428 VanDerWaalsContact O-NE 3.13Å |
| 425 | L | 86.6 | Confident | 85.7 | Confident | 8 Ų | 8 | 61.9 Ų | 61.9 | 4% | 0.042 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -91.7 | -28.7 | -175.4 | -66.1 | 169.8 | 0 | 0 | 0 | 112.9 | F361 L363 E387 C421 V422 G427 R428 | F361-L425 HydrophobicContact CE2-CD1 4.1Å; F361-L425 HydrophobicContact CZ-CD1 4.31Å; L363-L425 HydrophobicContact CD1-CD1 3.9Å; L363-L425 HydrophobicContact CD2-CB 3.91Å; L363-L425 HydrophobicContact CD2-CD1 4.11Å; E387-L425 HydrophobicContact CB-CD2 3.98Å; E387-L425 HydrophobicContact CG-CD2 4.2Å; C421-L425 WeakPolarHBondContact O-CB 3.44Å; C421-L425 WeakPolarHBondContact O-CG 3.18Å; C421-L425 PolarHBondContact O-N 3.11Å; V422-L425 PolarHBondContact O-N 2.64Å; L425-G427 PolarHBondContact O-N 3.33Å; L425-R428 PolarHBondContact O-N 2.78Å |
| 426 | H | 88.6 | Confident | 85.6 | Confident | 104 Ų | 104 | 61 Ų | 61 | 48% | 0.481 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | 124.8 | 178.8 | -171.8 | 54.1 | 0 | 0 | 0 | 111 | V422 R428 A437 | V422-H426 WeakPolarHBondContact O-CA 3.25Å; V422-H426 WeakPolarHBondContact O-CB 3.19Å; V422-H426 PolarHBondContact O-N 2.92Å; H426-R428 VanDerWaalsContact C-N 3.26Å; H426-R428 PolarHBondContact O-N 3.46Å; H426-A437 HydrophobicContact CB-CB 3.9Å; H426-A437 PolarHBondContact ND1-N 3.28Å; H426-A437 VanDerWaalsContact ND1-N 3.17Å |
| 427 | G | 86 | Confident | 85.7 | Confident | 37 Ų | 37 | 58.9 Ų | 58.9 | 38% | 0.381 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78 | 7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | L425 L434 I435 | L425-G427 PolarHBondContact O-N 3.33Å; G427-L434 WeakPolarHBondContact O-CD1 3.4Å; G427-I435 PolarHBondContact N-O 2.7Å |
| 428 | R | 84.3 | Confident | 85.7 | Confident | 109 Ų | 109 | 60 Ų | 60 | 41% | 0.411 | 33% | 0.33 | S | S | . | . | trans | -75.6 | 155.6 | 168.4 | -80.7 | -169.1 | 158.6 | -177.6 | -2.9 | 111.4 | E387 M424 L425 H426 I435 | E387-R428 VanDerWaalsContact CD-NH1 3.29Å; E387-R428 IonicContact OE1-NH1 3.02Å; E387-R428 IonicContact OE2-CZ 2.86Å; E387-R428 IonicContact OE2-NH1 2.77Å; E387-R428 PolarHBondContact OE2-NH1 3.1Å; E387-R428 IonicContact OE2-NH2 2.7Å; M424-R428 WeakPolarHBondContact O-CD 3.4Å; M424-R428 WeakPolarHBondContact O-CG 3.39Å; M424-R428 PolarHBondContact O-NE 3.1Å; M424-R428 VanDerWaalsContact O-NE 3.13Å; L425-R428 PolarHBondContact O-N 2.78Å; H426-R428 VanDerWaalsContact C-N 3.26Å; H426-R428 PolarHBondContact O-N 3.46Å; R428-I435 HydrophobicContact CB-CD1 4.16Å; R428-I435 WeakPolarHBondContact O-CG1 3.37Å; R428-I435 PolarHBondContact O-N 2.86Å | ||
| 429 | Y | 80.9 | Confident | 85.6 | Confident | 178 Ų | 178 | 62.3 Ų | 62.3 | 70% | 0.698 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 129.1 | 171.4 | -74.4 | -94.3 | 0 | 0 | 0 | 110.1 | R433 L434 | Y429-R433 CarbonylContact C-O 3.55Å; Y429-R433 VanDerWaalsContact CA-O 3.25Å; Y429-R433 WeakPolarHBondContact CA-O 2.96Å; Y429-L434 HydrophobicContact CD2-CD1 4.17Å; Y429-L434 HydrophobicContact CE1-CB 4.37Å; Y429-L434 HydrophobicContact CE1-CD1 4.34Å; Y429-L434 HydrophobicContact CE2-CD1 3.77Å |
| 430 | F | 77.4 | Confident | 85.4 | Confident | 41 Ų | 41 | 61.3 Ų | 61.3 | 18% | 0.18 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 123.7 | 173.6 | -168.7 | -89.4 | 0 | 0 | 0 | 109 | M366 I380 D383 G432 R433 I435 | M366-F430 HydrophobicContact CE-CB 3.42Å; M366-F430 VanDerWaalsContact CE-CB 3.42Å; M366-F430 HydrophobicContact CE-CD1 3.51Å; M366-F430 HydrophobicContact CE-CD2 3.91Å; M366-F430 HydrophobicContact CE-CE1 4.24Å; M366-F430 HydrophobicContact CE-CG 3.32Å; M366-F430 VanDerWaalsContact O-CD1 3.31Å; M366-F430 WeakPolarHBondContact O-CD1 3.16Å; I380-F430 HydrophobicContact CD1-CE1 4.21Å; I380-F430 HydrophobicContact CG1-CE1 3.58Å; I380-F430 HydrophobicContact CG1-CZ 3.75Å; D383-F430 HydrophobicContact CB-CE2 4.14Å; D383-F430 VanDerWaalsContact OD2-CE2 3.29Å; D383-F430 WeakPolarHBondContact OD2-CE2 3.41Å; D383-F430 WeakPolarHBondContact OD2-CZ 3.47Å; F430-G432 PolarHBondContact O-N 3.37Å; F430-G432 VanDerWaalsContact O-N 3.07Å; F430-R433 PolarHBondContact N-O 3.21Å; F430-R433 PolarHBondContact O-N 3.39Å; F430-I435 HydrophobicContact CB-CD1 3.76Å; F430-I435 HydrophobicContact CB-CG1 3.86Å |
| 431 | S | 73.6 | Confident | 85.2 | Confident | 107 Ų | 107 | 58.6 Ų | 58.6 | 75% | 0.748 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.1 | 37.1 | -175.7 | -61.9 | 0 | 0 | 0 | 0 | 114 | ||
| 432 | G | 78.8 | Confident | 84.9 | Confident | 69 Ų | 69 | 61.3 Ų | 61.3 | 71% | 0.711 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.9 | 5.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | F430 | F430-G432 PolarHBondContact O-N 3.37Å; F430-G432 VanDerWaalsContact O-N 3.07Å |
| 433 | R | 78.3 | Confident | 84.4 | Confident | 82 Ų | 82 | 64 Ų | 64 | 31% | 0.309 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 141.1 | -179.3 | -65.5 | -177.8 | -178.3 | -157.4 | -7.2 | 111.8 | D368 Y429 F430 I435 | D368-R433 VanDerWaalsContact CB-NH1 3.28Å; D368-R433 IonicContact OD2-CZ 2.65Å; D368-R433 IonicContact OD2-NH1 3.88Å; D368-R433 PolarHBondContact OD2-NH1 3.35Å; D368-R433 IonicContact OD2-NH2 3.88Å; D368-R433 PolarHBondContact OD2-NH2 3.16Å; Y429-R433 CarbonylContact C-O 3.55Å; Y429-R433 VanDerWaalsContact CA-O 3.25Å; Y429-R433 WeakPolarHBondContact CA-O 2.96Å; F430-R433 PolarHBondContact N-O 3.21Å; F430-R433 PolarHBondContact O-N 3.39Å; R433-I435 PolarHBondContact O-N 3.3Å |
| 434 | L | 85.1 | Confident | 84.1 | Confident | 76 Ų | 76 | 60.6 Ų | 60.6 | 40% | 0.398 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 121.1 | 174.3 | -169.5 | 78 | 0 | 0 | 0 | 109.7 | N365 G427 Y429 | N365-L434 PolarHBondContact ND2-O 2.94Å; G427-L434 WeakPolarHBondContact O-CD1 3.4Å; Y429-L434 HydrophobicContact CD2-CD1 4.17Å; Y429-L434 HydrophobicContact CE1-CB 4.37Å; Y429-L434 HydrophobicContact CE1-CD1 4.34Å; Y429-L434 HydrophobicContact CE2-CD1 3.77Å |
| 435 | I | 87.6 | Confident | 84 | Confident | 5 Ų | 5 | 58.1 Ų | 58.1 | 3% | 0.026 | 32% | 0.322 | C | S | . | . | trans | -79.6 | 134.9 | 176.2 | -44.6 | 171.5 | 0 | 0 | 0 | 109.5 | L363 M366 G427 R428 F430 R433 | L363-I435 HydrophobicContact CB-CG2 4.04Å; L363-I435 HydrophobicContact CD2-CG2 4.07Å; M366-I435 HydrophobicContact CE-CD1 3.29Å; M366-I435 HydrophobicContact CE-CG1 3.53Å; M366-I435 HydrophobicContact CE-CG2 4.26Å; M366-I435 HydrophobicContact CG-CG2 4.26Å; M366-I435 HydrophobicContact SD-CD1 3.86Å; M366-I435 HydrophobicContact SD-CG1 4.21Å; M366-I435 HydrophobicContact SD-CG2 3.81Å; G427-I435 PolarHBondContact N-O 2.7Å; R428-I435 HydrophobicContact CB-CD1 4.16Å; R428-I435 WeakPolarHBondContact O-CG1 3.37Å; R428-I435 PolarHBondContact O-N 2.86Å; F430-I435 HydrophobicContact CB-CD1 3.76Å; F430-I435 HydrophobicContact CB-CG1 3.86Å; R433-I435 PolarHBondContact O-N 3.3Å | ||
| 436 | T | 88.6 | Confident | 83.8 | Confident | 60 Ų | 60 | 60.5 Ų | 60.5 | 37% | 0.368 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 136.7 | 168.7 | 46.5 | 0 | 0 | 0 | 0 | 109.4 | L363 S364 | L363-T436 CarbonylContact C-O 3.51Å; L363-T436 WeakPolarHBondContact CA-O 3.42Å; S364-T436 PolarHBondContact N-O 2.87Å; S364-T436 PolarHBondContact O-N 2.84Å; S364-T436 VanDerWaalsContact O-N 3.15Å; S364-T436 PolarHBondContact OG-O 2.82Å; S364-T436 PolarHBondContact OG-OG1 3.08Å |
| 437 | A | 90.1 | Very high | 83.4 | Confident | 14 Ų | 14 | 61.1 Ų | 61.1 | 12% | 0.116 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 129 | -177.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | M362 L363 V422 H426 | M362-A437 CarbonylContact O-C 3.41Å; M362-A437 WeakPolarHBondContact O-CA 3.42Å; L363-A437 HydrophobicContact CD2-CB 3.64Å; V422-A437 HydrophobicContact CG1-CB 4.01Å; V422-A437 HydrophobicContact CG2-CB 4.5Å; H426-A437 HydrophobicContact CB-CB 3.9Å; H426-A437 PolarHBondContact ND1-N 3.28Å; H426-A437 VanDerWaalsContact ND1-N 3.17Å |
| 438 | A | 88.8 | Confident | 83.1 | Confident | 44 Ų | 44 | 63.8 Ų | 63.8 | 36% | 0.364 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 136.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 110 | F361 M362 | F361-A438 CarbonylContact C-O 3.47Å; F361-A438 VanDerWaalsContact CA-O 3.25Å; F361-A438 WeakPolarHBondContact CA-O 3.33Å; F361-A438 WeakPolarHBondContact CB-O 3.39Å; M362-A438 PolarHBondContact N-O 3.48Å; M362-A438 PolarHBondContact O-N 3.46Å |
| 439 | Y | 89.5 | Confident | 83 | Confident | 47 Ų | 47 | 59.7 Ų | 59.7 | 18% | 0.184 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 138.2 | 174.6 | -69.1 | -78.9 | 0 | 0 | 0 | 110.7 | P355 V356 T419 V422 | P355-Y439 HydrophobicContact CB-CD2 4.25Å; V356-Y439 WeakPolarHBondContact O-CB 3.25Å; T419-Y439 WeakPolarHBondContact CA-OH 3.42Å; V422-Y439 HydrophobicContact CB-CE1 4.45Å; V422-Y439 HydrophobicContact CG1-CE2 4.08Å; V422-Y439 HydrophobicContact CG2-CD1 4.42Å; V422-Y439 HydrophobicContact CG2-CE1 3.89Å |
| 440 | V | 86.1 | Confident | 82.8 | Confident | 19 Ų | 19 | 55.2 Ų | 55.2 | 12% | 0.115 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 124.7 | 178.7 | -179.9 | 0 | 0 | 0 | 0 | 108.6 | T358 C360 M362 L442 N444 | T358-V440 PolarHBondContact OG1-O 3.46Å; C360-V440 HydrophobicContact CB-CB 4.42Å; C360-V440 WeakPolarHBondContact CB-O 3.5Å; C360-V440 PolarHBondContact O-N 3.36Å; M362-V440 HydrophobicContact CB-CG2 3.65Å; V440-L442 PolarHBondContact O-N 3.19Å; V440-N444 HydrophobicContact CG1-CB 4Å |
| 441 | P | 85.2 | Confident | 82.6 | Confident | 50 Ų | 50 | 58.8 Ų | 58.8 | 33% | 0.325 | 34% | 0.339 | S | S | . | . | trans | -49.6 | 135 | 173.2 | -27.2 | 35 | 0 | 0 | 0 | 111.9 | I443 N444 Y445 | P441-I443 HydrophobicContact CB-CG2 4.33Å; P441-I443 PolarHBondContact O-N 3.21Å; P441-I443 VanDerWaalsContact O-N 3.09Å; P441-N444 PolarHBondContact O-N 3.28Å; P441-Y445 PolarHBondContact O-N 3.33Å; P441-Y445 VanDerWaalsContact O-N 3.08Å | ||
| 442 | L | 81.7 | Confident | 82.8 | Confident | 58 Ų | 58 | 53.7 Ų | 53.7 | 30% | 0.304 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -51.2 | -38.2 | 179.9 | -86.9 | 161.9 | 0 | 0 | 0 | 112.3 | Q359 V440 Y445 H446 | Q359-L442 HydrophobicContact CB-CD2 4.22Å; V440-L442 PolarHBondContact O-N 3.19Å; L442-Y445 PolarHBondContact O-N 2.99Å; L442-H446 WeakPolarHBondContact O-CB 3.35Å; L442-H446 PolarHBondContact O-CD2 3.35Å; L442-H446 VanDerWaalsContact O-CG 3.25Å; L442-H446 PolarHBondContact O-N 2.91Å |
| 443 | I | 80.1 | Confident | 82.5 | Confident | 66 Ų | 66 | 54 Ų | 54 | 34% | 0.338 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -65.6 | -41.4 | -179.3 | -156.1 | 152.1 | 0 | 0 | 0 | 112.1 | P441 H446 Q447 | P441-I443 HydrophobicContact CB-CG2 4.33Å; P441-I443 PolarHBondContact O-N 3.21Å; P441-I443 VanDerWaalsContact O-N 3.09Å; I443-H446 PolarHBondContact O-N 3.44Å; I443-Q447 VanDerWaalsContact O-CG 3.25Å; I443-Q447 WeakPolarHBondContact O-CG 3.14Å; I443-Q447 PolarHBondContact O-N 3.02Å |
| 444 | N | 82.4 | Confident | 82.2 | Confident | 47 Ų | 47 | 55.4 Ų | 55.4 | 25% | 0.251 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -67 | -40.5 | 176.2 | -70.3 | 50 | 0 | 0 | 0 | 110.6 | F267 V440 P441 Q447 L448 | F267-N444 WeakPolarHBondContact CZ-OD1 3.21Å; V440-N444 HydrophobicContact CG1-CB 4Å; P441-N444 PolarHBondContact O-N 3.28Å; N444-Q447 PolarHBondContact O-N 3.43Å; N444-L448 WeakPolarHBondContact O-CG 2.98Å; N444-L448 PolarHBondContact O-N 2.65Å; N444-L448 VanDerWaalsContact O-N 3.1Å |
| 445 | Y | 84.2 | Confident | 81.4 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.6 | -43.2 | 178.1 | -163.2 | -78.4 | 0 | 0 | 0 | 111.8 | C360 H396 Y409 K411 P441 L442 Q447 L448 F449 S452 | C360-Y445 HydrophobicContact CB-CD2 3.62Å; C360-Y445 HydrophobicContact CB-CE2 4.29Å; C360-Y445 HydrophobicContact CB-CG 3.9Å; C360-Y445 VanDerWaalsContact SG-CG 3.56Å; H396-Y445 AromaticContact ND1-CE1 3.77Å; H396-Y445 AromaticContact ND1-CZ 3.79Å; H396-Y445 PolarHBondContact ND1-OH 2.86Å; H396-Y445 PolarHBondContact O-OH 3Å; Y409-Y445 HydrophobicContact CD1-CE2 4.43Å; Y409-Y445 PolarHBondContact O-OH 3.25Å; K411-Y445 HydrophobicContact CB-CD1 4.49Å; K411-Y445 HydrophobicContact CB-CE1 3.84Å; K411-Y445 HydrophobicContact CD-CE1 4.38Å; K411-Y445 PolarHBondContact N-OH 2.9Å; P441-Y445 PolarHBondContact O-N 3.33Å; P441-Y445 VanDerWaalsContact O-N 3.08Å; L442-Y445 PolarHBondContact O-N 2.99Å; Y445-Q447 VanDerWaalsContact C-N 3.3Å; Y445-Q447 PolarHBondContact O-N 3.45Å; Y445-L448 PolarHBondContact O-N 3.13Å; Y445-F449 HydrophobicContact CD1-CB 4.48Å; Y445-F449 HydrophobicContact CD1-CD2 4.07Å; Y445-F449 HydrophobicContact CD2-CD2 4.5Å; Y445-F449 HydrophobicContact CE1-CB 4.19Å; Y445-F449 AromaticContact CE1-CD2 3.77Å; Y445-F449 HydrophobicContact CE1-CD2 3.77Å; Y445-F449 HydrophobicContact CE1-CG 4.37Å; Y445-F449 HydrophobicContact CE2-CD2 4.28Å; Y445-F449 HydrophobicContact CG-CD2 4.42Å; Y445-F449 AromaticContact CZ-CD2 3.88Å; Y445-F449 PolarHBondContact O-N 3.2Å; Y445-S452 WeakPolarHBondContact CD1-OG 3.29Å |
| 446 | H | 82.7 | Confident | 80.5 | Confident | 57 Ų | 57 | 61.3 Ų | 61.3 | 26% | 0.264 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -69.3 | -28.1 | 178.7 | -66.5 | 175.8 | 0 | 0 | 0 | 112.7 | K411 L442 I443 F449 P450 S452 V453 | K411-H446 PolarHBondContact NZ-NE2 3.06Å; L442-H446 WeakPolarHBondContact O-CB 3.35Å; L442-H446 PolarHBondContact O-CD2 3.35Å; L442-H446 VanDerWaalsContact O-CG 3.25Å; L442-H446 PolarHBondContact O-N 2.91Å; I443-H446 PolarHBondContact O-N 3.44Å; H446-F449 CarbonylContact O-C 3.46Å; H446-P450 WeakPolarHBondContact O-CA 3.43Å; H446-S452 PolarHBondContact CD2-OG 3.13Å; H446-V453 HydrophobicContact CB-CG2 3.69Å; H446-V453 VanDerWaalsContact CG-CG2 3.5Å |
| 447 | Q | 80.4 | Confident | 79.9 | Confident | 117 Ų | 117 | 63.9 Ų | 63.9 | 55% | 0.547 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -69.6 | -40.4 | 172.2 | -76.1 | 173.7 | 0.1 | 0 | 0 | 112.4 | I443 N444 Y445 | I443-Q447 VanDerWaalsContact O-CG 3.25Å; I443-Q447 WeakPolarHBondContact O-CG 3.14Å; I443-Q447 PolarHBondContact O-N 3.02Å; N444-Q447 PolarHBondContact O-N 3.43Å; Y445-Q447 VanDerWaalsContact C-N 3.3Å; Y445-Q447 PolarHBondContact O-N 3.45Å |
| 448 | L | 79.6 | Confident | 79.2 | Confident | 94 Ų | 94 | 67 Ų | 67 | 49% | 0.492 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -71.2 | -39.8 | 176.1 | -69 | 170.1 | 0 | 0 | 0 | 111.5 | Y409 N444 Y445 | Y409-L448 HydrophobicContact CE1-CD1 4.08Å; N444-L448 WeakPolarHBondContact O-CG 2.98Å; N444-L448 PolarHBondContact O-N 2.65Å; N444-L448 VanDerWaalsContact O-N 3.1Å; Y445-L448 PolarHBondContact O-N 3.13Å |
| 449 | F | 81.7 | Confident | 78.6 | Confident | 23 Ų | 23 | 67.5 Ų | 67.5 | 10% | 0.101 | 36% | 0.363 | C | S | . | . | trans | -132.2 | 85.5 | -174 | -50.9 | -67.4 | 0 | 0 | 0 | 110.4 | H396 F398 Y409 Y445 H446 D451 S452 | H396-F449 AromaticContact CE1-CG 3.78Å; F398-F449 HydrophobicContact CB-CD1 4.2Å; F398-F449 HydrophobicContact CB-CE1 3.7Å; F398-F449 HydrophobicContact CB-CE2 4.32Å; F398-F449 HydrophobicContact CB-CZ 3.77Å; F398-F449 HydrophobicContact CD1-CD1 4.41Å; F398-F449 AromaticContact CD1-CE1 3.24Å; F398-F449 HydrophobicContact CD1-CE1 3.24Å; F398-F449 HydrophobicContact CD1-CE2 4.41Å; F398-F449 AromaticContact CD1-CZ 3.24Å; F398-F449 HydrophobicContact CD1-CZ 3.24Å; F398-F449 HydrophobicContact CD2-CD1 4.19Å; F398-F449 AromaticContact CD2-CE1 3.65Å; F398-F449 HydrophobicContact CD2-CE1 3.65Å; F398-F449 HydrophobicContact CD2-CZ 4.42Å; F398-F449 AromaticContact CE1-CE1 3.64Å; F398-F449 HydrophobicContact CE1-CE1 3.64Å; F398-F449 AromaticContact CE1-CZ 3.86Å; F398-F449 HydrophobicContact CE1-CZ 3.86Å; F398-F449 HydrophobicContact CE2-CE1 4.03Å; F398-F449 HydrophobicContact CG-CD1 4.01Å; F398-F449 AromaticContact CG-CE1 3.23Å; F398-F449 HydrophobicContact CG-CE1 3.23Å; F398-F449 AromaticContact CG-CZ 3.56Å; F398-F449 HydrophobicContact CG-CZ 3.56Å; F398-F449 HydrophobicContact CZ-CE1 4.01Å; Y409-F449 HydrophobicContact CD1-CE2 4.25Å; Y409-F449 AromaticContact CD2-CE2 3.95Å; Y409-F449 HydrophobicContact CD2-CE2 3.95Å; Y409-F449 AromaticContact CD2-CZ 3.9Å; Y409-F449 HydrophobicContact CD2-CZ 3.9Å; Y409-F449 AromaticContact CG-CE2 3.7Å; Y409-F449 HydrophobicContact CG-CE2 3.7Å; Y409-F449 HydrophobicContact CG-CZ 4.13Å; Y445-F449 HydrophobicContact CD1-CB 4.48Å; Y445-F449 HydrophobicContact CD1-CD2 4.07Å; Y445-F449 HydrophobicContact CD2-CD2 4.5Å; Y445-F449 HydrophobicContact CE1-CB 4.19Å; Y445-F449 AromaticContact CE1-CD2 3.77Å; Y445-F449 HydrophobicContact CE1-CD2 3.77Å; Y445-F449 HydrophobicContact CE1-CG 4.37Å; Y445-F449 HydrophobicContact CE2-CD2 4.28Å; Y445-F449 HydrophobicContact CG-CD2 4.42Å; Y445-F449 AromaticContact CZ-CD2 3.88Å; Y445-F449 PolarHBondContact O-N 3.2Å; H446-F449 CarbonylContact O-C 3.46Å; F449-D451 PolarHBondContact O-N 3.49Å; F449-S452 VanDerWaalsContact O-CB 3.29Å; F449-S452 WeakPolarHBondContact O-CB 3.37Å; F449-S452 PolarHBondContact O-N 3.28Å; F449-S452 VanDerWaalsContact O-N 3.11Å; F449-S452 PolarHBondContact O-OG 3Å | ||
| 450 | P | 76.2 | Confident | 77.7 | Confident | 83 Ų | 83 | 72.4 Ų | 72.4 | 54% | 0.539 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -32.9 | 177.5 | 23.5 | -33 | 0 | 0 | 0 | 111.9 | H446 S452 V453 | H446-P450 WeakPolarHBondContact O-CA 3.43Å; P450-S452 PolarHBondContact O-N 3.11Å; P450-V453 VanDerWaalsContact O-CB 3.23Å; P450-V453 WeakPolarHBondContact O-CB 3.49Å; P450-V453 VanDerWaalsContact O-CG2 3.26Å; P450-V453 WeakPolarHBondContact O-CG2 3.47Å; P450-V453 PolarHBondContact O-N 3.43Å |
| 451 | D | 75 | Confident | 76.9 | Confident | 117 Ų | 117 | 74 Ų | 74 | 63% | 0.626 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -60 | -29.9 | 178 | -62.1 | -15.8 | 0 | 0 | 0 | 112.6 | F449 V453 T454 A455 | F449-D451 PolarHBondContact O-N 3.49Å; D451-V453 PolarHBondContact O-N 3.18Å; D451-T454 PolarHBondContact O-N 2.95Å; D451-T454 PolarHBondContact O-OG1 3.32Å; D451-A455 PolarHBondContact O-N 3.07Å |
| 452 | S | 77.7 | Confident | 75.8 | Confident | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -64.2 | -25.6 | 177.5 | 78.8 | 0 | 0 | 0 | 0 | 112.3 | K411 Y445 H446 F449 P450 T454 A455 | K411-S452 PolarHBondContact NZ-O 3.34Å; Y445-S452 WeakPolarHBondContact CD1-OG 3.29Å; H446-S452 PolarHBondContact CD2-OG 3.13Å; F449-S452 VanDerWaalsContact O-CB 3.29Å; F449-S452 WeakPolarHBondContact O-CB 3.37Å; F449-S452 PolarHBondContact O-N 3.28Å; F449-S452 VanDerWaalsContact O-N 3.11Å; F449-S452 PolarHBondContact O-OG 3Å; P450-S452 PolarHBondContact O-N 3.11Å; S452-T454 VanDerWaalsContact C-N 3.31Å; S452-T454 PolarHBondContact O-N 2.92Å; S452-A455 PolarHBondContact O-N 2.9Å |
| 453 | V | 70.7 | Confident | 73.8 | Confident | 76 Ų | 76 | 81.1 Ų | 81.1 | 46% | 0.461 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.2 | -40.7 | 178.7 | -178.4 | 0 | 0 | 0 | 0 | 110.7 | H446 P450 D451 | H446-V453 HydrophobicContact CB-CG2 3.69Å; H446-V453 VanDerWaalsContact CG-CG2 3.5Å; P450-V453 VanDerWaalsContact O-CB 3.23Å; P450-V453 WeakPolarHBondContact O-CB 3.49Å; P450-V453 VanDerWaalsContact O-CG2 3.26Å; P450-V453 WeakPolarHBondContact O-CG2 3.47Å; P450-V453 PolarHBondContact O-N 3.43Å; D451-V453 PolarHBondContact O-N 3.18Å |
| 454 | T | 72.7 | Confident | 73.5 | Confident | 111 Ų | 111 | 81.9 Ų | 81.9 | 68% | 0.681 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -86.5 | -16.1 | -179.5 | 45.8 | 0 | 0 | 0 | 0 | 113.9 | D451 S452 K456 | D451-T454 PolarHBondContact O-N 2.95Å; D451-T454 PolarHBondContact O-OG1 3.32Å; S452-T454 VanDerWaalsContact C-N 3.31Å; S452-T454 PolarHBondContact O-N 2.92Å; T454-K456 PolarHBondContact O-N 3.33Å |
| 455 | A | 69.4 | Low | 73 | Confident | 24 Ų | 24 | 83.7 Ų | 83.7 | 20% | 0.198 | 47% | 0.47 | C | S | . | . | trans | -66.5 | 105.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | L395 D451 S452 | L395-A455 HydrophobicContact CB-CB 4.48Å; D451-A455 PolarHBondContact O-N 3.07Å; S452-A455 PolarHBondContact O-N 2.9Å | ||
| 456 | K | 68 | Low | 72.4 | Confident | 181 Ų | 181 | 88.4 Ų | 88.4 | 79% | 0.787 | 50% | 0.496 | S | S | * | . | trans | -114.6 | -6.3 | 174.7 | -67 | -179.6 | -179.1 | 177.7 | 0 | 113.1 | L395 T454 | L395-K456 VanDerWaalsContact CD2-C 3.47Å; T454-K456 PolarHBondContact O-N 3.33Å | ||
| 457 | T | 75.6 | Confident | 71.8 | Confident | 114 Ų | 114 | 90.2 Ų | 90.2 | 70% | 0.699 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -96.6 | 135.3 | -178.2 | -49 | 0 | 0 | 0 | 0 | 109.3 | ||
| 458 | L | 76.1 | Confident | 71.2 | Confident | 79 Ų | 79 | 88.6 Ų | 88.6 | 41% | 0.414 | 51% | 0.508 | S | S | . | . | P | Polyproline II helix | trans | -70.5 | 135.8 | 174.3 | -63.2 | 174.3 | 0 | 0 | 0 | 109.9 | C394 L395 P413 | C394-L458 WeakPolarHBondContact O-CA 3.38Å; L395-L458 HydrophobicContact CD2-CD2 4.09Å; P413-L458 HydrophobicContact CG-CD2 4.09Å |
| 459 | L | 75.3 | Confident | 70.7 | Confident | 55 Ų | 55 | 88.2 Ų | 88.2 | 29% | 0.288 | 51% | 0.509 | S | S | . | . | P | Polyproline II helix | trans | -82.9 | 142.5 | 175.3 | -63.5 | 175.9 | 0 | 0 | 0 | 110.3 | C394 I397 | C394-L459 PolarHBondContact O-N 2.72Å; I397-L459 HydrophobicContact CG2-CD1 3.9Å |
| 460 | H | 71.4 | Confident | 69.9 | Low | 150 Ų | 150 | 92.9 Ų | 92.9 | 69% | 0.694 | 54% | 0.538 | S | S | * | . | trans | -111.2 | 151 | 173.2 | -70.4 | -70.6 | 0 | 0 | 0 | 109.4 | ||||
| 461 | P | 69 | Low | 69.4 | Low | 52 Ų | 52 | 93.6 Ų | 93.6 | 34% | 0.338 | 54% | 0.538 | S | S | . | . | trans | -63.9 | 145.4 | 178 | 27.3 | -33.5 | 0 | 0 | 0 | 110.5 | D382 I385 S463 | D382-P461 HydrophobicContact CB-CB 4.39Å; D382-P461 WeakPolarHBondContact OD1-CA 3.5Å; I385-P461 HydrophobicContact CG2-CB 4.31Å; P461-S463 PolarHBondContact O-N 2.86Å | ||
| 462 | S | 61 | Low | 68.9 | Low | 68 Ų | 68 | 91.7 Ų | 91.7 | 48% | 0.476 | 53% | 0.53 | S | S | . | . | trans | -63.8 | 123.2 | 167.2 | 3.1 | 0 | 0 | 0 | 0 | 108.4 | D382 | D382-S462 PolarHBondContact OD1-N 2.92Å; D382-S462 PolarHBondContact OD1-OG 3.4Å; D382-S462 PolarHBondContact OD2-OG 2.7Å | ||
| 463 | S | 40.4 | Very low | 68.1 | Low | 190 Ų | 190 | 100 Ų | 100 | 100% | 1.329 | 58% | 0.579 | S | S | * | * | trans | -76 | 0 | 174.9 | -59.9 | 0 | 0 | 0 | 0 | 112.8 | P461 | P461-S463 PolarHBondContact O-N 2.86Š|
Retrieved 463 of 463 residues in 480.2 ms
(Link to these results)