| 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 | 42.9 | Very low | 59.7 | Low | 235 Ų | 235 | 169 Ų | 169 | 100% | 1.158 | 85% | 0.847 | S | S | * | * | 0 | 112.8 | 0 | 179.7 | 163.5 | 70.5 | 0 | 0 | 106.8 | |||||
| 2 | L | 51.3 | Low | 60.6 | Low | 173 Ų | 173 | 169.3 Ų | 169.3 | 91% | 0.906 | 85% | 0.847 | S | S | * | * | trans | 51.1 | 99.8 | -171 | -59.5 | -176.6 | 0 | 0 | 0 | 115.5 | ||||
| 3 | D | 62.7 | Low | 60.7 | Low | 159 Ų | 159 | 167.5 Ų | 167.5 | 85% | 0.85 | 84% | 0.839 | S | S | * | * | trans | -80.8 | 153 | 175.9 | -179.4 | 40.3 | 0 | 0 | 0 | 112.2 | ||||
| 4 | M | 58.5 | Low | 61.3 | Low | 181 Ų | 181 | 163.9 Ų | 163.9 | 89% | 0.892 | 83% | 0.834 | S | S | * | * | trans | -110.7 | 81.2 | -178.9 | -76.3 | -171.7 | 170.7 | 0 | 0 | 111.2 | ||||
| 5 | G | 65.9 | Low | 61.2 | Low | 68 Ų | 68 | 167 Ų | 167 | 70% | 0.701 | 84% | 0.839 | S | S | * | * | trans | -66.2 | 133.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 6 | D | 64.7 | Low | 60.9 | Low | 136 Ų | 136 | 161.9 Ų | 161.9 | 73% | 0.727 | 82% | 0.824 | S | S | * | * | trans | -57.7 | 136.4 | -175 | -70.8 | -56.6 | 0 | 0 | 0 | 115.5 | K8 | D6-K8 HydrophobicContact CB-CG 4.28Å; D6-K8 PolarHBondContact O-N 2.96Å | ||
| 7 | R | 60.7 | Low | 60.3 | Low | 249 Ų | 249 | 159.3 Ų | 159.3 | 94% | 0.94 | 82% | 0.824 | S | S | * | * | trans | -81.6 | 99 | 157.4 | -80.4 | -175.1 | 169.8 | -176.3 | -2.1 | 110.3 | ||||
| 8 | K | 68.9 | Low | 60.1 | Low | 177 Ų | 177 | 160.7 Ų | 160.7 | 77% | 0.77 | 82% | 0.823 | S | S | * | * | trans | -81.2 | 134.2 | 170.8 | -68.6 | -178.3 | 179.6 | 174.5 | 0 | 111.4 | D6 | D6-K8 HydrophobicContact CB-CG 4.28Å; D6-K8 PolarHBondContact O-N 2.96Å | ||
| 9 | E | 56.5 | Low | 59.9 | Low | 176 Ų | 176 | 158.5 Ų | 158.5 | 82% | 0.822 | 82% | 0.823 | S | S | * | * | trans | -74.8 | 130 | -170.6 | -169.6 | -170.5 | 156.1 | 0 | 0 | 112.4 | K11 | E9-K11 PolarHBondContact O-N 2.99Š| ||
| 10 | V | 60.9 | Low | 59.3 | Low | 129 Ų | 129 | 158.5 Ų | 158.5 | 78% | 0.782 | 82% | 0.823 | S | S | * | * | trans | -92.9 | 93.1 | 176 | -179 | 0 | 0 | 0 | 0 | 109.9 | M12 | V10-M12 PolarHBondContact O-N 2.97Š| ||
| 11 | K | 63.4 | Low | 58.7 | Low | 176 Ų | 176 | 158.4 Ų | 158.4 | 77% | 0.765 | 82% | 0.824 | S | S | * | * | trans | -71.7 | 95.3 | -179.5 | -169.7 | 167.1 | -174.2 | 167.1 | 0 | 111.9 | E9 I13 | E9-K11 PolarHBondContact O-N 2.99Å; K11-I13 PolarHBondContact O-N 2.97Å | ||
| 12 | M | 71.1 | Confident | 59 | Low | 172 Ų | 172 | 152.5 Ų | 152.5 | 85% | 0.847 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 120.3 | 173.1 | -78.7 | -87.8 | -78.5 | 0 | 0 | 111.3 | V10 | V10-M12 PolarHBondContact O-N 2.97Š|
| 13 | I | 61.8 | Low | 59.1 | Low | 147 Ų | 147 | 151.5 Ų | 151.5 | 75% | 0.754 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -97.3 | 119.9 | 173.6 | -57.7 | 176.4 | 0 | 0 | 0 | 108.8 | K11 | K11-I13 PolarHBondContact O-N 2.97Š|
| 14 | P | 69.3 | Low | 58.6 | Low | 117 Ų | 117 | 150.5 Ų | 150.5 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 133.6 | 174.2 | 29.8 | -33.2 | 0 | 0 | 0 | 110.5 | ||
| 15 | K | 59 | Low | 58.6 | Low | 210 Ų | 210 | 147 Ų | 147 | 91% | 0.913 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 127.8 | 170.6 | -69.4 | -174.9 | 176.2 | -177 | 0 | 109.2 | ||
| 16 | S | 57.7 | Low | 57.7 | Low | 86 Ų | 86 | 152.2 Ų | 152.2 | 60% | 0.601 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 143.3 | -172.2 | 54 | 0 | 0 | 0 | 0 | 113.2 | F18 | S16-F18 WeakPolarHBondContact OG-CE2 3.42Š|
| 17 | S | 50.6 | Low | 56.8 | Low | 117 Ų | 117 | 149.4 Ų | 149.4 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 135.5 | 156 | -59.5 | 0 | 0 | 0 | 0 | 109.6 | ||
| 18 | F | 56.4 | Low | 56.6 | Low | 185 Ų | 185 | 144 Ų | 144 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | trans | -113.3 | 118.7 | 160.5 | -91.6 | -86 | 0 | 0 | 0 | 108.4 | S16 | S16-F18 WeakPolarHBondContact OG-CE2 3.42Š| ||
| 19 | S | 56.8 | Low | 55.6 | Low | 118 Ų | 118 | 142.6 Ų | 142.6 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | trans | -74.4 | 138.2 | 175.5 | -61.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 20 | I | 48.1 | Very low | 55.5 | Low | 159 Ų | 159 | 142.2 Ų | 142.2 | 82% | 0.815 | 79% | 0.786 | S | S | * | * | trans | -86.5 | 118.8 | 167.3 | -60.4 | 171.7 | 0 | 0 | 0 | 107.8 | ||||
| 21 | N | 44.9 | Very low | 54.9 | Low | 157 Ų | 157 | 142.3 Ų | 142.3 | 84% | 0.84 | 78% | 0.782 | S | S | * | * | trans | -179.4 | 147.5 | 152.2 | -95.9 | -26.9 | 0 | 0 | 0 | 111.3 | ||||
| 22 | S | 50.5 | Low | 54.5 | Low | 110 Ų | 110 | 142 Ų | 142 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | trans | 63.9 | 115.9 | 179.1 | -151.9 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 23 | L | 52.2 | Low | 53.7 | Low | 153 Ų | 153 | 140.6 Ų | 140.6 | 80% | 0.801 | 78% | 0.78 | S | S | * | * | -161.9 | 155.3 | 65.6 | -161.5 | 68.8 | 0 | 0 | 0 | 111.3 | |||||
| 24 | V | 52.8 | Low | 53.1 | Low | 137 Ų | 137 | 142 Ų | 142 | 83% | 0.83 | 78% | 0.783 | S | S | * | * | trans | -138.2 | 127.9 | 171.5 | 175.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 25 | P | 57.7 | Low | 51.9 | Low | 108 Ų | 108 | 140.5 Ų | 140.5 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | trans | -129.7 | 133 | 137.5 | 33.8 | -22.3 | 0 | 0 | 0 | 109.6 | ||||
| 26 | E | 47.8 | Very low | 51.3 | Low | 177 Ų | 177 | 135.7 Ų | 135.7 | 83% | 0.827 | 77% | 0.773 | S | S | * | * | 81.7 | 121.9 | 58.2 | -168.1 | 172.4 | 165.8 | 0 | 0 | 114.2 | |||||
| 27 | A | 45.8 | Very low | 50.9 | Low | 77 Ų | 77 | 140 Ų | 140 | 64% | 0.636 | 78% | 0.784 | S | S | * | * | trans | 51.5 | 127.1 | 162.3 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 28 | V | 55.6 | Low | 50.6 | Low | 137 Ų | 137 | 137.4 Ų | 137.4 | 83% | 0.83 | 78% | 0.776 | S | S | * | * | -166.1 | 132.9 | 114.8 | 140.5 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 29 | Q | 49.2 | Very low | 50.4 | Low | 147 Ų | 147 | 136.4 Ų | 136.4 | 69% | 0.687 | 77% | 0.773 | S | S | * | * | trans | -76.3 | 160.9 | 173.4 | -64.7 | 97.7 | -70.8 | 0 | 0 | 112.4 | ||||
| 30 | N | 54.5 | Low | 50.3 | Low | 168 Ų | 168 | 138.7 Ų | 138.7 | 90% | 0.898 | 77% | 0.77 | S | S | * | * | trans | -152 | 106.2 | 148.9 | -110.6 | -13.8 | 0 | 0 | 0 | 109.4 | ||||
| 31 | D | 47.1 | Very low | 50.2 | Low | 131 Ų | 131 | 138 Ų | 138 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | trans | -72.2 | 156 | 171.7 | -67.1 | -85.2 | 0 | 0 | 0 | 111.4 | ||||
| 32 | N | 55.8 | Low | 50.4 | Low | 169 Ų | 169 | 135.1 Ų | 135.1 | 90% | 0.904 | 76% | 0.76 | S | S | * | * | trans | -143.9 | 121.3 | 163.8 | -147.5 | -9.5 | 0 | 0 | 0 | 110 | ||||
| 33 | H | 55.1 | Low | 50.5 | Low | 143 Ų | 143 | 138.3 Ų | 138.3 | 66% | 0.662 | 76% | 0.763 | S | S | * | * | trans | -96.9 | 147.9 | -165.8 | -93.7 | -105.3 | 0 | 0 | 0 | 113.2 | ||||
| 34 | H | 47.5 | Very low | 50.7 | Low | 177 Ų | 177 | 138.7 Ų | 138.7 | 82% | 0.819 | 76% | 0.76 | S | S | * | * | trans | 64.5 | 149.8 | 149.1 | -81.3 | -142.1 | 0 | 0 | 0 | 117.4 | ||||
| 35 | A | 45.6 | Very low | 50.4 | Low | 84 Ų | 84 | 137 Ų | 137 | 69% | 0.694 | 75% | 0.752 | S | S | * | * | cis | -160.8 | 159.9 | -1.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 36 | S | 46.5 | Very low | 50.1 | Low | 110 Ų | 110 | 139 Ų | 139 | 77% | 0.769 | 75% | 0.752 | S | S | * | * | trans | 177.5 | 151.3 | 134.1 | 43 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 37 | H | 49.5 | Very low | 50.4 | Low | 176 Ų | 176 | 137 Ų | 137 | 82% | 0.815 | 74% | 0.743 | S | S | * | * | trans | -25.7 | 144.6 | 172.6 | -42.8 | -82.6 | 0 | 0 | 0 | 117.2 | ||||
| 38 | G | 44.3 | Very low | 50.7 | Low | 63 Ų | 63 | 140 Ų | 140 | 65% | 0.649 | 74% | 0.743 | S | S | * | * | cis | 101 | 124.2 | 4.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 39 | H | 50.6 | Low | 50.6 | Low | 163 Ų | 163 | 141.9 Ų | 141.9 | 76% | 0.755 | 74% | 0.742 | S | S | * | * | trans | 162.6 | 118.1 | 146.9 | -90.8 | 68.6 | 0 | 0 | 0 | 111.3 | ||||
| 40 | H | 54.6 | Low | 50.8 | Low | 167 Ų | 167 | 143.1 Ų | 143.1 | 77% | 0.773 | 75% | 0.748 | S | S | * | * | trans | 28.7 | 151.2 | 135.9 | -46.7 | -49.5 | 0 | 0 | 0 | 122.6 | ||||
| 41 | N | 47.2 | Very low | 51 | Low | 143 Ų | 143 | 142.3 Ų | 142.3 | 77% | 0.765 | 74% | 0.738 | S | S | * | * | cis | -175.9 | -178.8 | -10.4 | 179.2 | 28 | 0 | 0 | 0 | 108.9 | ||||
| 42 | S | 47.8 | Very low | 51.4 | Low | 97 Ų | 97 | 145.3 Ų | 145.3 | 68% | 0.678 | 75% | 0.748 | S | S | * | * | trans | 92.7 | 96 | 153.9 | -59.2 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 43 | H | 53.1 | Low | 51.7 | Low | 177 Ų | 177 | 144.5 Ų | 144.5 | 82% | 0.819 | 74% | 0.738 | S | S | * | * | trans | -24.4 | 142.5 | 150.6 | -71.6 | 77.1 | 0 | 0 | 0 | 118.5 | ||||
| 44 | H | 57.2 | Low | 51.9 | Low | 161 Ų | 161 | 146.1 Ų | 146.1 | 75% | 0.745 | 75% | 0.746 | S | S | * | * | trans | -152.9 | 117 | 140.3 | -167.1 | 86.8 | 0 | 0 | 0 | 111.8 | Q46 | H44-Q46 WeakPolarHBondContact NE2-CG 3.19Š| ||
| 45 | P | 46.3 | Very low | 52.6 | Low | 103 Ų | 103 | 145.6 Ų | 145.6 | 67% | 0.669 | 74% | 0.743 | S | S | * | * | trans | -111.8 | 121.1 | 171.8 | 34.3 | -23.3 | 0 | 0 | 0 | 111.9 | ||||
| 46 | Q | 51.5 | Low | 53.5 | Low | 149 Ų | 149 | 150.1 Ų | 150.1 | 70% | 0.696 | 75% | 0.75 | S | S | * | * | trans | -137.5 | 148.5 | 170 | -91.6 | -60.5 | -11.9 | 0 | 0 | 113.8 | H44 | H44-Q46 WeakPolarHBondContact NE2-CG 3.19Š| ||
| 47 | H | 53.5 | Low | 54.6 | Low | 136 Ų | 136 | 152.8 Ų | 152.8 | 63% | 0.63 | 75% | 0.75 | S | S | * | * | trans | -63.1 | 154.3 | -158.8 | -84.5 | -116 | 0 | 0 | 0 | 118.7 | ||||
| 48 | H | 52.5 | Low | 55.8 | Low | 140 Ų | 140 | 149.6 Ų | 149.6 | 65% | 0.648 | 75% | 0.745 | S | S | * | * | trans | 51.6 | 120.8 | 148 | -54.9 | -42.9 | 0 | 0 | 0 | 120 | ||||
| 49 | H | 54 | Low | 57.3 | Low | 176 Ų | 176 | 152.1 Ų | 152.1 | 82% | 0.815 | 75% | 0.75 | S | S | * | * | -150.2 | 134.9 | 100.6 | -102 | 71.1 | 0 | 0 | 0 | 109.2 | |||||
| 50 | H | 52.9 | Low | 58.7 | Low | 173 Ų | 173 | 149.9 Ų | 149.9 | 80% | 0.801 | 75% | 0.75 | S | S | * | * | trans | -81.5 | 119.4 | 173.1 | -85.4 | 91.6 | 0 | 0 | 0 | 109.6 | ||||
| 51 | H | 58.7 | Low | 59.9 | Low | 151 Ų | 151 | 148 Ų | 148 | 70% | 0.699 | 75% | 0.752 | S | S | * | * | trans | -131.3 | 126.3 | 162.7 | -95.8 | 38 | 0 | 0 | 0 | 108.6 | H53 | H51-H53 VanDerWaalsContact C-N 3.29Å; H51-H53 PolarHBondContact O-N 3.38Å | ||
| 52 | H | 55.4 | Low | 61.3 | Low | 193 Ų | 193 | 145.1 Ų | 145.1 | 89% | 0.894 | 75% | 0.748 | S | S | * | * | trans | -76.4 | 80.2 | 173.7 | -83.7 | -29.9 | 0 | 0 | 0 | 110.6 | ||||
| 53 | H | 61.9 | Low | 62.7 | Low | 152 Ų | 152 | 146.6 Ų | 146.6 | 70% | 0.704 | 76% | 0.755 | S | S | * | * | trans | -81.6 | 117.6 | 156.7 | -84.6 | -67.2 | 0 | 0 | 0 | 109.5 | H51 H55 | H51-H53 VanDerWaalsContact C-N 3.29Å; H51-H53 PolarHBondContact O-N 3.38Å; H53-H55 PolarHBondContact O-N 3.23Å | ||
| 54 | H | 60.2 | Low | 63.9 | Low | 177 Ų | 177 | 146.8 Ų | 146.8 | 82% | 0.819 | 76% | 0.757 | S | S | * | * | trans | -63.8 | 101.5 | 164.8 | -88.6 | -79.1 | 0 | 0 | 0 | 109 | H56 | H54-H56 PolarHBondContact O-N 3.29Š| ||
| 55 | H | 61.3 | Low | 65 | Low | 166 Ų | 166 | 144.5 Ų | 144.5 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | trans | -66 | 99.3 | 166.6 | -83.3 | -67.3 | 0 | 0 | 0 | 109.3 | H53 H57 | H53-H55 PolarHBondContact O-N 3.23Å; H55-H57 VanDerWaalsContact C-N 3.35Å; H55-H57 PolarHBondContact O-N 3.16Å | ||
| 56 | H | 64.5 | Low | 66.7 | Low | 180 Ų | 180 | 145 Ų | 145 | 83% | 0.833 | 76% | 0.76 | S | S | * | * | trans | -61.7 | 100.4 | 158.7 | -90.9 | -79.3 | 0 | 0 | 0 | 108.2 | H54 | H54-H56 PolarHBondContact O-N 3.29Š| ||
| 57 | H | 69 | Low | 68.1 | Low | 165 Ų | 165 | 143.3 Ų | 143.3 | 76% | 0.764 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 128.3 | 165.4 | -78.5 | -100.4 | 0 | 0 | 0 | 108.4 | H55 | H55-H57 VanDerWaalsContact C-N 3.35Å; H55-H57 PolarHBondContact O-N 3.16Å |
| 58 | P | 75.8 | Confident | 69.3 | Low | 110 Ų | 110 | 142 Ų | 142 | 71% | 0.714 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 143.4 | 172 | 27.3 | -33.5 | 0 | 0 | 0 | 109.1 | ||
| 59 | P | 75.8 | Confident | 70.2 | Confident | 116 Ų | 116 | 141.3 Ų | 141.3 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 147.6 | 174.3 | 27.3 | -34.3 | 0 | 0 | 0 | 110 | ||
| 60 | P | 78.8 | Confident | 70.8 | Confident | 116 Ų | 116 | 141.6 Ų | 141.6 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 147 | 177.6 | 26 | -34.5 | 0 | 0 | 0 | 110.6 | A62 | P60-A62 PolarHBondContact O-N 3.48Š|
| 61 | P | 79.8 | Confident | 71.2 | Confident | 126 Ų | 126 | 142.2 Ų | 142.2 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 134.8 | 179.8 | 25.1 | -34 | 0 | 0 | 0 | 110.3 | ||
| 62 | A | 76.5 | Confident | 71.3 | Confident | 84 Ų | 84 | 144 Ų | 144 | 69% | 0.694 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 141.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | P60 Q64 | P60-A62 PolarHBondContact O-N 3.48Å; A62-Q64 PolarHBondContact O-N 3.01Å |
| 63 | P | 78.5 | Confident | 71.8 | Confident | 127 Ų | 127 | 143.4 Ų | 143.4 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 127.3 | 177.8 | 25 | -33.7 | 0 | 0 | 0 | 109.6 | ||
| 64 | Q | 77.9 | Confident | 72.4 | Confident | 181 Ų | 181 | 141.4 Ų | 141.4 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 141.2 | 179.6 | -61.5 | -176.1 | 18.6 | 0 | 0 | 109.6 | A62 | A62-Q64 PolarHBondContact O-N 3.01Š|
| 65 | P | 80.8 | Confident | 73.4 | Confident | 113 Ų | 113 | 138.5 Ų | 138.5 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -60 | 144.5 | 172 | 27.6 | -34.3 | 0 | 0 | 0 | 109.2 | ||
| 66 | P | 80.6 | Confident | 74.4 | Confident | 115 Ų | 115 | 136.1 Ų | 136.1 | 75% | 0.747 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 143.8 | 175.6 | 26 | -34.3 | 0 | 0 | 0 | 109.5 | ||
| 67 | P | 81.2 | Confident | 75.3 | Confident | 113 Ų | 113 | 133 Ų | 133 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 146.4 | 176.3 | 24.9 | -34 | 0 | 0 | 0 | 109.6 | ||
| 68 | P | 78.5 | Confident | 75.9 | Confident | 109 Ų | 109 | 130.7 Ų | 130.7 | 71% | 0.708 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 143.1 | 175.4 | 25.8 | -34.3 | 0 | 0 | 0 | 109 | Q70 | P68-Q70 PolarHBondContact O-N 3.44Š|
| 69 | P | 73.2 | Confident | 76.3 | Confident | 124 Ų | 124 | 131 Ų | 131 | 81% | 0.805 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 120.5 | 177.6 | 24 | -33.3 | 0 | 0 | 0 | 108 | Q71 | P69-Q71 PolarHBondContact O-N 3.34Å; P69-Q71 VanDerWaalsContact O-N 3.13Å |
| 70 | Q | 65.9 | Low | 76.5 | Confident | 183 Ų | 183 | 131.4 Ų | 131.4 | 86% | 0.855 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 125.9 | 176.4 | -67.1 | -175.8 | 8.2 | 0 | 0 | 107.2 | P68 Q72 | P68-Q70 PolarHBondContact O-N 3.44Å; Q70-Q72 PolarHBondContact O-N 3.49Å |
| 71 | Q | 61.6 | Low | 76.4 | Confident | 185 Ų | 185 | 130 Ų | 130 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | trans | -61.3 | 107.9 | 175.4 | -68.1 | -175.5 | 18.8 | 0 | 0 | 106.5 | P69 Q73 | P69-Q71 PolarHBondContact O-N 3.34Å; P69-Q71 VanDerWaalsContact O-N 3.13Å; Q71-Q73 PolarHBondContact O-N 2.9Å | ||
| 72 | Q | 61.1 | Low | 76.3 | Confident | 189 Ų | 189 | 130 Ų | 130 | 88% | 0.883 | 78% | 0.779 | S | S | * | * | trans | -55.1 | 109.8 | 170 | -73.8 | 179.4 | -28.3 | 0 | 0 | 106 | Q70 | Q70-Q72 PolarHBondContact O-N 3.49Š| ||
| 73 | Q | 64.5 | Low | 75.9 | Confident | 180 Ų | 180 | 133.7 Ų | 133.7 | 84% | 0.841 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 132.3 | 176.4 | -71.8 | -177.3 | -22.4 | 0 | 0 | 106.9 | Q71 | Q71-Q73 PolarHBondContact O-N 2.9Š|
| 74 | P | 76 | Confident | 75.5 | Confident | 111 Ų | 111 | 132.8 Ų | 132.8 | 72% | 0.721 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -56 | 135.2 | 175.8 | 24.9 | -33.2 | 0 | 0 | 0 | 107.7 | ||
| 75 | P | 79.8 | Confident | 75 | Confident | 115 Ų | 115 | 130 Ų | 130 | 75% | 0.747 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 141.3 | -179.5 | 23.9 | -33.7 | 0 | 0 | 0 | 109.1 | ||
| 76 | P | 82.8 | Confident | 73.9 | Confident | 116 Ų | 116 | 132.9 Ų | 132.9 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 143.8 | -179.9 | 24.3 | -33.9 | 0 | 0 | 0 | 109.8 | ||
| 77 | P | 83 | Confident | 72.8 | Confident | 116 Ų | 116 | 134.1 Ų | 134.1 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 143.3 | 178.8 | 25.7 | -34.2 | 0 | 0 | 0 | 109.8 | ||
| 78 | P | 82.7 | Confident | 71.1 | Confident | 116 Ų | 116 | 140.7 Ų | 140.7 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 146.1 | 177.3 | 26.3 | -34.4 | 0 | 0 | 0 | 110.1 | ||
| 79 | P | 82.9 | Confident | 69.7 | Low | 115 Ų | 115 | 138.9 Ų | 138.9 | 75% | 0.747 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 148 | 177.3 | 26.1 | -34.5 | 0 | 0 | 0 | 110.5 | A81 | P79-A81 PolarHBondContact O-N 3.13Š|
| 80 | P | 81.2 | Confident | 68.7 | Low | 125 Ų | 125 | 137.6 Ų | 137.6 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 135.7 | 177.9 | 25.6 | -34 | 0 | 0 | 0 | 110.2 | ||
| 81 | A | 76.3 | Confident | 68 | Low | 86 Ų | 86 | 135.2 Ų | 135.2 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 142.3 | 179 | 0 | 0 | 0 | 0 | 0 | 110.8 | P79 Q83 | P79-A81 PolarHBondContact O-N 3.13Å; A81-Q83 PolarHBondContact O-N 2.87Å |
| 82 | P | 76.3 | Confident | 67.5 | Low | 127 Ų | 127 | 130.9 Ų | 130.9 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -57 | 125.2 | 174.2 | -22.8 | 33.2 | 0 | 0 | 0 | 110.3 | ||
| 83 | Q | 69.2 | Low | 67.2 | Low | 161 Ų | 161 | 125.6 Ų | 125.6 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 137.4 | 170.6 | -64.6 | -174.8 | 15.8 | 0 | 0 | 108.8 | A81 | A81-Q83 PolarHBondContact O-N 2.87Š|
| 84 | P | 70.6 | Confident | 66.9 | Low | 109 Ų | 109 | 123.8 Ų | 123.8 | 71% | 0.708 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -61 | 143.6 | 172.6 | 27.1 | -33.9 | 0 | 0 | 0 | 109.6 | Q86 | P84-Q86 PolarHBondContact O-N 3.31Š|
| 85 | P | 67.6 | Low | 66.1 | Low | 123 Ų | 123 | 126 Ų | 126 | 80% | 0.799 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 122.1 | -177.5 | 25.8 | -33.9 | 0 | 0 | 0 | 110.1 | T87 | P85-T87 PolarHBondContact O-N 3.28Å; P85-T87 VanDerWaalsContact O-N 3.09Å |
| 86 | Q | 58 | Low | 65 | Low | 172 Ų | 172 | 125.8 Ų | 125.8 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | -66 | 111.1 | 174.4 | -63.9 | -176.1 | 19.9 | 0 | 0 | 108.8 | P84 R88 | P84-Q86 PolarHBondContact O-N 3.31Å; Q86-R88 PolarHBondContact O-N 3.4Å; Q86-R88 VanDerWaalsContact O-N 3.16Å | ||
| 87 | T | 55.7 | Low | 63.6 | Low | 142 Ų | 142 | 128.4 Ų | 128.4 | 87% | 0.871 | 77% | 0.773 | S | S | * | * | trans | -64.9 | 114.2 | 177.8 | 23.1 | 0 | 0 | 0 | 0 | 109.9 | P85 G89 | P85-T87 PolarHBondContact O-N 3.28Å; P85-T87 VanDerWaalsContact O-N 3.09Å; T87-G89 VanDerWaalsContact C-N 3.33Å; T87-G89 PolarHBondContact O-N 2.92Å | ||
| 88 | R | 46.5 | Very low | 62.1 | Low | 251 Ų | 251 | 126.2 Ų | 126.2 | 95% | 0.947 | 77% | 0.772 | S | S | * | * | trans | -72.1 | 81.8 | -174.6 | -168.5 | 178.4 | -172.2 | 172.9 | 1.9 | 111.2 | Q86 | Q86-R88 PolarHBondContact O-N 3.4Å; Q86-R88 VanDerWaalsContact O-N 3.16Å | ||
| 89 | G | 48.2 | Very low | 60.7 | Low | 70 Ų | 70 | 126.2 Ų | 126.2 | 72% | 0.722 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 143.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112 | T87 | T87-G89 VanDerWaalsContact C-N 3.33Å; T87-G89 PolarHBondContact O-N 2.92Å |
| 90 | A | 53.1 | Low | 59.1 | Low | 98 Ų | 98 | 128.9 Ų | 128.9 | 81% | 0.81 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 155.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 91 | P | 50.2 | Low | 57.5 | Low | 132 Ų | 132 | 131.5 Ų | 131.5 | 86% | 0.857 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 141.6 | -179.7 | 34.2 | -34.4 | 0 | 0 | 0 | 113.5 | ||
| 92 | A | 51.5 | Low | 56.1 | Low | 94 Ų | 94 | 135.1 Ų | 135.1 | 78% | 0.777 | 78% | 0.782 | S | S | * | * | trans | -145.6 | 120.9 | 155.6 | 0 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 93 | A | 55.6 | Low | 54.9 | Low | 79 Ų | 79 | 137 Ų | 137 | 65% | 0.653 | 78% | 0.784 | S | S | * | * | 103.9 | 145.8 | 59.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 94 | D | 56.9 | Low | 54.5 | Low | 141 Ų | 141 | 136.5 Ų | 136.5 | 75% | 0.754 | 79% | 0.786 | S | S | * | * | trans | 64.7 | 102.5 | 168.7 | -41.2 | -32.2 | 0 | 0 | 0 | 115.6 | ||||
| 95 | D | 60.3 | Low | 54.6 | Low | 158 Ų | 158 | 136.4 Ų | 136.4 | 85% | 0.845 | 79% | 0.785 | S | S | * | * | 91.8 | 146.2 | 102.9 | -79.9 | -41.5 | 0 | 0 | 0 | 112.4 | |||||
| 96 | D | 55.9 | Low | 55 | Low | 110 Ų | 110 | 136 Ų | 136 | 59% | 0.588 | 78% | 0.783 | S | S | * | * | cis | -148.7 | 175.1 | 7.4 | 178 | 26.5 | 0 | 0 | 0 | 109 | ||||
| 97 | K | 53.7 | Low | 55.9 | Low | 172 Ų | 172 | 133.6 Ų | 133.6 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | trans | 11.8 | 127.5 | 167.9 | -69.1 | 155.7 | -161.4 | 73.5 | 0 | 118.5 | ||||
| 98 | G | 51 | Low | 56.9 | Low | 70 Ų | 70 | 132.4 Ų | 132.4 | 72% | 0.722 | 78% | 0.777 | S | S | * | * | cis | 87.1 | 158.6 | 32.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 99 | P | 53.3 | Low | 58.4 | Low | 116 Ų | 116 | 126 Ų | 126 | 75% | 0.753 | 77% | 0.767 | S | S | * | * | cis | -142.1 | -179.5 | -11.6 | 39.3 | -18.9 | 0 | 0 | 0 | 115.7 | ||||
| 100 | Q | 50.7 | Low | 59.8 | Low | 170 Ų | 170 | 128.2 Ų | 128.2 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | trans | 71.3 | 107.8 | 162.9 | -45.2 | -161.8 | 100.4 | 0 | 0 | 117.5 | ||||
| 101 | Q | 47.2 | Very low | 60.9 | Low | 180 Ų | 180 | 129.2 Ų | 129.2 | 84% | 0.841 | 77% | 0.767 | S | S | * | * | 72.5 | 96.1 | 68.8 | -70.8 | -154.3 | 101.5 | 0 | 0 | 115.8 | |||||
| 102 | L | 46.3 | Very low | 61.7 | Low | 162 Ų | 162 | 128.8 Ų | 128.8 | 85% | 0.848 | 76% | 0.764 | S | S | * | * | trans | -146.8 | 99.3 | 138.1 | -159.8 | 76 | 0 | 0 | 0 | 109.7 | ||||
| 103 | L | 51.6 | Low | 61.6 | Low | 167 Ų | 167 | 129.5 Ų | 129.5 | 87% | 0.874 | 77% | 0.77 | S | S | * | * | trans | -89.9 | 108.3 | -177.6 | -175.6 | 70.6 | 0 | 0 | 0 | 110 | ||||
| 104 | L | 60.1 | Low | 61.3 | Low | 150 Ų | 150 | 130.3 Ų | 130.3 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 127.2 | 173.8 | -77 | 167.1 | 0 | 0 | 0 | 110.8 | ||
| 105 | P | 72.6 | Confident | 60.8 | Low | 107 Ų | 107 | 128.1 Ų | 128.1 | 70% | 0.695 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 154.5 | 178.9 | 32 | -35.3 | 0 | 0 | 0 | 112.3 | ||
| 106 | P | 76.6 | Confident | 60.5 | Low | 116 Ų | 116 | 128.4 Ų | 128.4 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 149.4 | 172.8 | 30.4 | -35 | 0 | 0 | 0 | 111.8 | ||
| 107 | P | 76.8 | Confident | 60.2 | Low | 121 Ų | 121 | 130.8 Ų | 130.8 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 149.3 | -179.9 | 30.1 | -35.3 | 0 | 0 | 0 | 112.6 | ||
| 108 | P | 78 | Confident | 59.7 | Low | 117 Ų | 117 | 125.8 Ų | 125.8 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 154.9 | 179.3 | 32 | -35.8 | 0 | 0 | 0 | 113 | ||
| 109 | P | 77.8 | Confident | 59.5 | Low | 115 Ų | 115 | 127.7 Ų | 127.7 | 75% | 0.747 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 154.8 | 175 | 31.4 | -35.7 | 0 | 0 | 0 | 112.5 | ||
| 110 | P | 77.5 | Confident | 59.1 | Low | 117 Ų | 117 | 131 Ų | 131 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 150 | 177.2 | 29.5 | -35.3 | 0 | 0 | 0 | 112.4 | ||
| 111 | P | 74.8 | Confident | 59.1 | Low | 119 Ų | 119 | 127.7 Ų | 127.7 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 152.6 | -176.9 | 30.1 | -35.8 | 0 | 0 | 0 | 113.1 | ||
| 112 | P | 68.4 | Low | 59.1 | Low | 123 Ų | 123 | 126.1 Ų | 126.1 | 80% | 0.799 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 155 | 174 | 31.1 | -35.5 | 0 | 0 | 0 | 111.9 | A114 | P112-A114 PolarHBondContact O-N 3.44Š|
| 113 | A | 48.3 | Very low | 59 | Low | 109 Ų | 109 | 122.1 Ų | 122.1 | 90% | 0.901 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 119.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 114 | A | 49.3 | Very low | 58.9 | Low | 96 Ų | 96 | 122.8 Ų | 122.8 | 79% | 0.793 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 128.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | P112 | P112-A114 PolarHBondContact O-N 3.44Š|
| 115 | A | 47.6 | Very low | 58.1 | Low | 95 Ų | 95 | 119.8 Ų | 119.8 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 129.8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 116 | L | 53.6 | Low | 56.9 | Low | 165 Ų | 165 | 118.7 Ų | 118.7 | 86% | 0.864 | 81% | 0.814 | S | S | * | * | trans | -141.5 | 103 | 164.2 | -62 | 172.6 | 0 | 0 | 0 | 103.5 | ||||
| 117 | D | 48 | Very low | 55.4 | Low | 160 Ų | 160 | 123.7 Ų | 123.7 | 86% | 0.856 | 82% | 0.824 | S | S | * | * | 68.2 | 133.8 | 59.1 | -163.3 | 57.8 | 0 | 0 | 0 | 115 | |||||
| 118 | G | 44.6 | Very low | 53.8 | Low | 67 Ų | 67 | 121.8 Ų | 121.8 | 69% | 0.691 | 83% | 0.826 | S | S | * | * | trans | 73.5 | 59.7 | 143.5 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 119 | A | 47.1 | Very low | 52.3 | Low | 110 Ų | 110 | 125.1 Ų | 125.1 | 91% | 0.909 | 83% | 0.832 | S | S | * | * | trans | -139.3 | 128.1 | 155.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 120 | K | 44.7 | Very low | 51.2 | Low | 186 Ų | 186 | 125 Ų | 125 | 81% | 0.809 | 83% | 0.831 | S | S | * | * | trans | -124.7 | 127.7 | -170.5 | -179.9 | -173.1 | 177.5 | -173 | 0 | 110.2 | ||||
| 121 | A | 50.9 | Low | 49.7 | Very low | 100 Ų | 100 | 123.3 Ų | 123.3 | 83% | 0.826 | 84% | 0.835 | S | S | * | * | trans | -148.3 | 126.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 122 | D | 46.3 | Very low | 48.2 | Very low | 147 Ų | 147 | 121.6 Ų | 121.6 | 79% | 0.786 | 84% | 0.839 | S | S | * | * | trans | -84.2 | 147.3 | -175.9 | -57.7 | -97.1 | 0 | 0 | 0 | 112.1 | ||||
| 123 | G | 44 | Very low | 47.1 | Very low | 78 Ų | 78 | 119.5 Ų | 119.5 | 80% | 0.804 | 84% | 0.84 | S | S | * | * | trans | -159.9 | 41.4 | -164.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 124 | L | 50.3 | Low | 47.3 | Very low | 181 Ų | 181 | 121.1 Ų | 121.1 | 95% | 0.948 | 84% | 0.841 | S | S | * | * | trans | 17.9 | 119.8 | 158.2 | -66.4 | 167.6 | 0 | 0 | 0 | 121 | ||||
| 125 | G | 43.4 | Very low | 47.2 | Very low | 86 Ų | 86 | 119.7 Ų | 119.7 | 89% | 0.887 | 84% | 0.835 | S | S | * | * | trans | 119.4 | 140.9 | 130.5 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 126 | G | 46.8 | Very low | 47.1 | Very low | 84 Ų | 84 | 124 Ų | 124 | 87% | 0.866 | 84% | 0.839 | S | S | * | * | trans | 126.1 | 96.4 | 168.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 127 | K | 45.7 | Very low | 46.9 | Very low | 222 Ų | 222 | 123.7 Ų | 123.7 | 97% | 0.965 | 84% | 0.838 | S | S | * | * | trans | -90.7 | 143.8 | 170.5 | -74.4 | -175.1 | 174.3 | -175 | 0 | 111.2 | ||||
| 128 | G | 43.4 | Very low | 47 | Very low | 80 Ų | 80 | 120.4 Ų | 120.4 | 83% | 0.825 | 83% | 0.833 | S | S | * | * | trans | -168.3 | 124.7 | 166 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 129 | E | 45.3 | Very low | 47.7 | Very low | 187 Ų | 187 | 122.8 Ų | 122.8 | 87% | 0.874 | 84% | 0.836 | S | S | * | * | trans | -132.8 | -179 | -169 | -134.4 | -153.5 | 139.1 | 0 | 0 | 110.9 | ||||
| 130 | P | 55 | Low | 47.9 | Very low | 114 Ų | 114 | 124.5 Ų | 124.5 | 74% | 0.74 | 84% | 0.835 | S | S | * | * | -126.5 | -178.7 | -101.8 | 43.2 | -29 | 0 | 0 | 0 | 115.6 | |||||
| 131 | G | 45.4 | Very low | 47.9 | Very low | 81 Ų | 81 | 118.4 Ų | 118.4 | 84% | 0.835 | 83% | 0.825 | S | S | * | * | trans | 156.5 | 144.5 | 163.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 132 | G | 43.6 | Very low | 48 | Very low | 83 Ų | 83 | 119.3 Ų | 119.3 | 86% | 0.856 | 82% | 0.822 | S | S | * | * | cis | 173 | 164.6 | -6.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 133 | G | 46.2 | Very low | 48.1 | Very low | 79 Ų | 79 | 119 Ų | 119 | 81% | 0.814 | 82% | 0.82 | S | S | * | * | trans | 109.7 | 121.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 134 | P | 51.3 | Low | 48.6 | Very low | 142 Ų | 142 | 121.8 Ų | 121.8 | 92% | 0.922 | 81% | 0.813 | S | S | * | * | trans | -108.1 | 166.1 | 178.7 | 39.6 | -33.3 | 0 | 0 | 0 | 115.1 | ||||
| 135 | G | 48.8 | Very low | 48.3 | Very low | 66 Ų | 66 | 121.5 Ų | 121.5 | 68% | 0.68 | 80% | 0.804 | S | S | * | * | trans | 170.8 | 120.6 | 166.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 136 | E | 44.3 | Very low | 48.6 | Very low | 185 Ų | 185 | 124.4 Ų | 124.4 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | cis | 69.5 | 115.3 | 44.2 | -156.3 | 159.9 | 139.8 | 0 | 0 | 110.6 | ||||
| 137 | L | 49.4 | Very low | 48.4 | Very low | 160 Ų | 160 | 129.1 Ų | 129.1 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | cis | -129.7 | 164.3 | 21.8 | -70.5 | 159.8 | 0 | 0 | 0 | 114.3 | ||||
| 138 | A | 51.1 | Low | 48.1 | Very low | 90 Ų | 90 | 122.4 Ų | 122.4 | 74% | 0.744 | 79% | 0.785 | S | S | * | * | trans | -139.1 | 156.6 | 157.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 139 | P | 58.5 | Low | 47.9 | Very low | 118 Ų | 118 | 124 Ų | 124 | 77% | 0.766 | 79% | 0.79 | S | S | * | * | trans | -133 | 123.9 | 138.5 | 19.9 | -0.4 | 0 | 0 | 0 | 111.5 | ||||
| 140 | V | 52.3 | Low | 47.6 | Very low | 145 Ų | 145 | 119 Ų | 119 | 88% | 0.879 | 79% | 0.789 | S | S | * | * | 82.8 | 128.5 | 86.3 | 167.7 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 141 | G | 43.6 | Very low | 46.9 | Very low | 59 Ų | 59 | 118.8 Ų | 118.8 | 61% | 0.608 | 80% | 0.796 | S | S | * | * | trans | -97.6 | -134.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 142 | P | 54.4 | Low | 46.4 | Very low | 118 Ų | 118 | 118.9 Ų | 118.9 | 77% | 0.766 | 80% | 0.797 | S | S | * | * | cis | -100.2 | -129.5 | 12.7 | 14.8 | 10.1 | 0 | 0 | 0 | 112.1 | ||||
| 143 | D | 48.2 | Very low | 46.1 | Very low | 140 Ų | 140 | 118 Ų | 118 | 75% | 0.749 | 79% | 0.788 | S | S | * | * | cis | -150.6 | -178.4 | 18 | -121.4 | -47.4 | 0 | 0 | 0 | 116 | ||||
| 144 | E | 52.9 | Low | 45.9 | Very low | 137 Ų | 137 | 123.7 Ų | 123.7 | 64% | 0.64 | 79% | 0.794 | S | S | * | * | trans | -83.4 | 163.9 | -160.3 | -59.4 | -171.9 | 152.5 | 0 | 0 | 119.2 | ||||
| 145 | K | 45.1 | Very low | 45.3 | Very low | 175 Ų | 175 | 125.6 Ų | 125.6 | 76% | 0.761 | 79% | 0.79 | S | S | * | * | trans | 67.3 | 153.4 | 157.9 | -72.4 | 163.3 | -175.2 | 127.9 | 0 | 116.8 | ||||
| 146 | E | 48.6 | Very low | 45.1 | Very low | 147 Ų | 147 | 132.6 Ų | 132.6 | 69% | 0.687 | 80% | 0.802 | S | S | * | * | cis | -139.7 | -176.8 | 1.2 | -137.8 | -162.4 | 142.2 | 0 | 0 | 113.5 | ||||
| 147 | K | 43.2 | Very low | 44.9 | Very low | 184 Ų | 184 | 133 Ų | 133 | 80% | 0.8 | 80% | 0.801 | S | S | * | * | trans | -50 | 149.2 | -172.8 | -57.4 | 150.5 | -171.2 | 145.5 | 0 | 115.3 | ||||
| 148 | G | 39.2 | Very low | 44.4 | Very low | 81 Ų | 81 | 129 Ų | 129 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | trans | -172.9 | 58.8 | 170 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 149 | A | 40.6 | Very low | 43.9 | Very low | 113 Ų | 113 | 129.9 Ų | 129.9 | 93% | 0.934 | 81% | 0.806 | S | S | * | * | trans | -79.2 | 135.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 150 | G | 37.6 | Very low | 43 | Very low | 82 Ų | 82 | 127.9 Ų | 127.9 | 85% | 0.845 | 81% | 0.807 | S | S | * | * | trans | -159.4 | 118.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 151 | A | 40.7 | Very low | 42.5 | Very low | 109 Ų | 109 | 130.8 Ų | 130.8 | 90% | 0.901 | 81% | 0.811 | S | S | * | * | trans | -134.3 | 166.5 | -170.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 152 | G | 34.6 | Very low | 42.2 | Very low | 83 Ų | 83 | 131.6 Ų | 131.6 | 86% | 0.856 | 82% | 0.819 | S | S | * | * | trans | 83.6 | 153 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 153 | G | 37.8 | Very low | 41.6 | Very low | 64 Ų | 64 | 129.6 Ų | 129.6 | 66% | 0.66 | 82% | 0.82 | S | S | * | * | cis | -141.1 | 135.3 | -13.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 154 | E | 42.7 | Very low | 41.3 | Very low | 200 Ų | 200 | 132 Ų | 132 | 94% | 0.935 | 82% | 0.824 | S | S | * | * | 89.3 | 135.1 | 86.6 | -78.9 | -172.3 | 107.9 | 0 | 0 | 113.6 | |||||
| 155 | E | 38.1 | Very low | 40.9 | Very low | 181 Ų | 181 | 132.3 Ų | 132.3 | 85% | 0.846 | 83% | 0.83 | S | S | * | * | trans | -99 | 124 | -170.8 | -60.9 | -178.9 | 121.5 | 0 | 0 | 111 | K157 | E155-K157 PolarHBondContact O-N 3.41Š| ||
| 156 | K | 45.6 | Very low | 40.7 | Very low | 214 Ų | 214 | 127.5 Ų | 127.5 | 93% | 0.93 | 83% | 0.829 | S | S | * | * | trans | -77.2 | 85 | 173.7 | -167.1 | 173.7 | -175.8 | 177.2 | 0 | 110.7 | G158 | K156-G158 PolarHBondContact O-N 3.13Š| ||
| 157 | K | 39.3 | Very low | 40.3 | Very low | 192 Ų | 192 | 130.1 Ų | 130.1 | 84% | 0.835 | 84% | 0.842 | S | S | * | * | trans | -61.3 | 112.6 | 165.2 | -81.7 | -174.8 | 175.4 | 178.6 | 0 | 109.6 | E155 | E155-K157 PolarHBondContact O-N 3.41Š| ||
| 158 | G | 39.1 | Very low | 39.8 | Very low | 76 Ų | 76 | 125.1 Ų | 125.1 | 78% | 0.784 | 84% | 0.842 | S | S | * | * | trans | -84.8 | 122.1 | 158.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | K156 | K156-G158 PolarHBondContact O-N 3.13Š| ||
| 159 | A | 40.1 | Very low | 39.8 | Very low | 109 Ų | 109 | 125.2 Ų | 125.2 | 90% | 0.901 | 84% | 0.844 | S | S | * | * | trans | -81.7 | 143.2 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 160 | G | 39.9 | Very low | 39.8 | Very low | 77 Ų | 77 | 129.7 Ų | 129.7 | 79% | 0.794 | 84% | 0.842 | S | S | * | * | trans | -154.1 | 111.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 161 | E | 41.8 | Very low | 40.2 | Very low | 205 Ų | 205 | 134.6 Ų | 134.6 | 96% | 0.958 | 84% | 0.843 | S | S | * | * | trans | -92.3 | 148.4 | 177 | -65.2 | 173.7 | 85.2 | 0 | 0 | 110.5 | ||||
| 162 | G | 37.7 | Very low | 40.2 | Very low | 77 Ų | 77 | 132.1 Ų | 132.1 | 79% | 0.794 | 83% | 0.829 | S | S | * | * | trans | 145 | 118.5 | 167 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 163 | G | 40.7 | Very low | 40.4 | Very low | 75 Ų | 75 | 137.9 Ų | 137.9 | 77% | 0.773 | 83% | 0.833 | S | S | * | * | trans | 80 | 135.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 164 | K | 43.3 | Very low | 40.9 | Very low | 192 Ų | 192 | 142.7 Ų | 142.7 | 84% | 0.835 | 84% | 0.836 | S | S | * | * | cis | 53.3 | 123.1 | 18.9 | -90.4 | -163.8 | 164.3 | -167.9 | 0 | 113.4 | ||||
| 165 | D | 44 | Very low | 41.2 | Very low | 143 Ų | 143 | 142.5 Ų | 142.5 | 77% | 0.765 | 83% | 0.832 | S | S | * | * | cis | -138.8 | 178.3 | 12.9 | -63.1 | -71.6 | 0 | 0 | 0 | 111.4 | ||||
| 166 | G | 40.4 | Very low | 41.8 | Very low | 73 Ų | 73 | 141.9 Ų | 141.9 | 75% | 0.753 | 83% | 0.834 | S | S | * | * | trans | 123.9 | 112.4 | 153.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 167 | E | 40.2 | Very low | 42.4 | Very low | 202 Ų | 202 | 133.9 Ų | 133.9 | 94% | 0.944 | 81% | 0.813 | S | S | * | * | trans | 54.5 | 115.8 | 145.1 | -146.8 | 165.3 | 138.2 | 0 | 0 | 121 | ||||
| 168 | G | 32.4 | Very low | 44.1 | Very low | 79 Ų | 79 | 134.3 Ų | 134.3 | 81% | 0.814 | 82% | 0.815 | S | S | * | * | trans | -101.2 | 115 | 180 | 0 | 0 | 0 | 0 | 0 | 114.4 | K170 | G168-K170 PolarHBondContact O-N 3.29Š| ||
| 169 | G | 40 | Very low | 46.2 | Very low | 84 Ų | 84 | 136.3 Ų | 136.3 | 87% | 0.866 | 80% | 0.8 | S | S | * | * | trans | -86.5 | 99.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | E171 | G169-E171 PolarHBondContact O-N 2.82Š| ||
| 170 | K | 40.4 | Very low | 48.4 | Very low | 206 Ų | 206 | 139.6 Ų | 139.6 | 90% | 0.896 | 80% | 0.796 | S | S | * | * | trans | -68.3 | 118.1 | 160.5 | -79.3 | 179.9 | 175.5 | 176.9 | 0 | 109.6 | G168 | G168-K170 PolarHBondContact O-N 3.29Š| ||
| 171 | E | 44.5 | Very low | 50.7 | Low | 185 Ų | 185 | 141 Ų | 141 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | trans | -160.2 | 148.8 | 147.2 | -85.4 | -137.4 | -158.2 | 0 | 0 | 111.1 | G169 | G169-E171 PolarHBondContact O-N 2.82Š| ||
| 172 | G | 41.4 | Very low | 52.9 | Low | 58 Ų | 58 | 132 Ų | 132 | 60% | 0.598 | 74% | 0.74 | S | S | * | * | trans | 117.1 | 2.4 | 151 | 0 | 0 | 0 | 0 | 0 | 120.4 | K174 | G172-K174 VanDerWaalsContact C-N 3.27Å; G172-K174 PolarHBondContact O-N 3.13Å | ||
| 173 | E | 38.4 | Very low | 55.3 | Low | 204 Ų | 204 | 133.3 Ų | 133.3 | 95% | 0.953 | 73% | 0.734 | S | S | * | * | trans | -70.3 | 82.3 | 171.7 | -168 | -178.8 | -174.1 | 0 | 0 | 110.8 | ||||
| 174 | K | 49.7 | Very low | 57.8 | Low | 164 Ų | 164 | 132.6 Ų | 132.6 | 71% | 0.713 | 71% | 0.71 | S | S | * | * | trans | -136.2 | 93.7 | -172.4 | -77.3 | 179.8 | 179.7 | 163.9 | 0 | 112.9 | G172 | G172-K174 VanDerWaalsContact C-N 3.27Å; G172-K174 PolarHBondContact O-N 3.13Å | ||
| 175 | K | 47.8 | Very low | 60.2 | Low | 197 Ų | 197 | 125.1 Ų | 125.1 | 86% | 0.857 | 68% | 0.682 | S | S | * | * | trans | 66.6 | 121.3 | 156 | -57.4 | -174.4 | 177.3 | -175 | 0 | 116.7 | G177 | K175-G177 PolarHBondContact O-N 3.1Š| ||
| 176 | N | 51.4 | Low | 62.6 | Low | 167 Ų | 167 | 121.4 Ų | 121.4 | 89% | 0.893 | 66% | 0.657 | S | S | * | * | trans | -73.7 | 51.4 | 169 | -161.6 | -7 | 0 | 0 | 0 | 111.7 | ||||
| 177 | G | 58.8 | Low | 65.2 | Low | 47 Ų | 47 | 119.2 Ų | 119.2 | 49% | 0.485 | 63% | 0.628 | S | S | . | * | trans | -85.4 | 109.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109 | K175 Y179 | K175-G177 PolarHBondContact O-N 3.1Å; G177-Y179 PolarHBondContact O-N 2.95Å | ||
| 178 | K | 74.5 | Confident | 67.8 | Low | 201 Ų | 201 | 109.6 Ų | 109.6 | 87% | 0.874 | 58% | 0.583 | S | S | * | * | trans | -48 | 111.2 | -178.6 | -60.1 | 176.5 | -176.1 | 178.8 | 0 | 110.1 | E180 | K178-E180 PolarHBondContact O-N 3.13Š| ||
| 179 | Y | 83.3 | Confident | 70.7 | Confident | 118 Ų | 118 | 105.9 Ų | 105.9 | 46% | 0.463 | 55% | 0.545 | S | S | . | . | P | Polyproline II helix | trans | -59.3 | 134.9 | -179.9 | -67.5 | -66.6 | 0 | 0 | 0 | 110.1 | G177 P216 Y217 | G177-Y179 PolarHBondContact O-N 2.95Å; Y179-P216 HydrophobicContact CD1-CB 3.99Å; Y179-P216 HydrophobicContact CD2-CB 3.89Å; Y179-P216 HydrophobicContact CE1-CB 3.76Å; Y179-P216 HydrophobicContact CE1-CG 4.28Å; Y179-P216 HydrophobicContact CE2-CB 3.64Å; Y179-P216 HydrophobicContact CG-CB 4.06Å; Y179-Y217 WeakPolarHBondContact O-CD2 3.38Å |
| 180 | E | 85.5 | Confident | 73.4 | Confident | 177 Ų | 177 | 101.9 Ų | 101.9 | 83% | 0.827 | 50% | 0.504 | S | S | * | . | P | Polyproline II helix | trans | -74.6 | 143.6 | 175.3 | -166.2 | 177 | 175.7 | 0 | 0 | 110.5 | K178 P182 | K178-E180 PolarHBondContact O-N 3.13Å; E180-P182 WeakPolarHBondContact O-CD 3.1Å |
| 181 | K | 88.5 | Confident | 76 | Confident | 108 Ų | 108 | 92 Ų | 92 | 47% | 0.47 | 46% | 0.461 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 120.5 | 174 | 180 | 173.4 | 178.7 | 176.9 | 0 | 109.5 | Y217 | K181-Y217 HydrophobicContact CB-CD1 4.19Å; K181-Y217 HydrophobicContact CB-CE1 3.72Å; K181-Y217 HydrophobicContact CB-CE2 4.1Å; K181-Y217 HydrophobicContact CD-CE1 4.12Å; K181-Y217 HydrophobicContact CG-CD1 4.2Å; K181-Y217 HydrophobicContact CG-CE1 3.62Å |
| 182 | P | 88.5 | Confident | 78.4 | Confident | 16 Ų | 16 | 84.7 Ų | 84.7 | 10% | 0.104 | 43% | 0.427 | C | S | . | . | P | Polyproline II helix | trans | -58.5 | 140.7 | -178.7 | -23.9 | 32.7 | 0 | 0 | 0 | 111.9 | E180 F184 F215 Y218 | E180-P182 WeakPolarHBondContact O-CD 3.1Å; P182-F184 HydrophobicContact CB-CD2 3.95Å; P182-F184 PolarHBondContact O-N 3.05Å; P182-F215 HydrophobicContact CB-CD1 3.7Å; P182-F215 HydrophobicContact CB-CE1 3.88Å; P182-F215 HydrophobicContact CB-CG 4.33Å; P182-F215 HydrophobicContact CG-CB 3.8Å; P182-F215 HydrophobicContact CG-CD1 3.31Å; P182-F215 HydrophobicContact CG-CE1 4.03Å; P182-F215 HydrophobicContact CG-CG 3.68Å; P182-Y218 HydrophobicContact CG-CE2 3.96Å |
| 183 | P | 88.6 | Confident | 81 | Confident | 103 Ų | 103 | 81.9 Ų | 81.9 | 67% | 0.669 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -76.1 | 61.1 | 176.7 | 33.4 | -36.8 | 0 | 0 | 0 | 110.6 | G271 | P183-G271 WeakPolarHBondContact O-CA 3.13Š|
| 184 | F | 92 | Very high | 83.7 | Confident | 61 Ų | 61 | 72.2 Ų | 72.2 | 27% | 0.268 | 35% | 0.353 | S | S | . | . | trans | -137.4 | 133.4 | 177 | -66.7 | -63.2 | 0 | 0 | 0 | 110.4 | P182 A188 L189 M192 F215 I266 | P182-F184 HydrophobicContact CB-CD2 3.95Å; P182-F184 PolarHBondContact O-N 3.05Å; F184-A188 HydrophobicContact CB-CB 4.37Å; F184-A188 HydrophobicContact CD1-CB 4.38Å; F184-L189 HydrophobicContact CB-CD2 3.76Å; F184-L189 HydrophobicContact CB-CG 4.02Å; F184-L189 HydrophobicContact CD2-CD2 4.33Å; F184-L189 HydrophobicContact CG-CD2 4.33Å; F184-M192 HydrophobicContact CD1-CE 4.24Å; F184-M192 HydrophobicContact CD2-CE 4.22Å; F184-M192 HydrophobicContact CE1-CE 4.11Å; F184-M192 HydrophobicContact CE2-CE 4.08Å; F184-M192 HydrophobicContact CG-CE 4.31Å; F184-M192 HydrophobicContact CZ-CE 4.03Å; F184-F215 AromaticContact CD2-CE1 3.95Å; F184-F215 HydrophobicContact CD2-CE1 3.95Å; F184-F215 AromaticContact CD2-CZ 3.7Å; F184-F215 HydrophobicContact CD2-CZ 3.7Å; F184-F215 AromaticContact CE2-CE1 3.92Å; F184-F215 HydrophobicContact CE2-CE1 3.92Å; F184-F215 AromaticContact CE2-CZ 3.77Å; F184-F215 HydrophobicContact CE2-CZ 3.77Å; F184-I266 HydrophobicContact CD1-CG2 3.88Å; F184-I266 HydrophobicContact CE1-CG2 3.81Å | ||
| 185 | S | 93.3 | Very high | 85.8 | Confident | 35 Ų | 35 | 68.2 Ų | 68.2 | 25% | 0.245 | 33% | 0.334 | C | S | . | . | trans | -68.1 | 151.7 | 169.4 | 58.4 | 0 | 0 | 0 | 0 | 111.3 | N187 A188 L189 G271 | S185-N187 PolarHBondContact O-N 3.28Å; S185-N187 VanDerWaalsContact O-N 3.12Å; S185-A188 WeakPolarHBondContact O-CA 3.47Å; S185-A188 WeakPolarHBondContact O-CB 3.34Å; S185-A188 PolarHBondContact O-N 3.01Å; S185-A188 WeakPolarHBondContact OG-CB 3.22Å; S185-A188 PolarHBondContact OG-N 3.05Å; S185-L189 PolarHBondContact O-N 2.92Å; S185-G271 PolarHBondContact N-O 3.23Å; S185-G271 PolarHBondContact OG-O 3.43Å | ||
| 186 | Y | 95.4 | Very high | 88 | Confident | 64 Ų | 64 | 64.6 Ų | 64.6 | 25% | 0.251 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -53.5 | -35.6 | 177.1 | -63.9 | -55.3 | 0 | 0 | 0 | 112.7 | L189 I190 Y218 W225 S228 I229 | Y186-L189 HydrophobicContact CD1-CD1 4.18Å; Y186-L189 PolarHBondContact O-N 3.39Å; Y186-I190 WeakPolarHBondContact O-CD1 3.41Å; Y186-I190 VanDerWaalsContact O-CG1 3.27Å; Y186-I190 WeakPolarHBondContact O-CG1 3.48Å; Y186-I190 PolarHBondContact O-N 2.9Å; Y186-Y218 HydrophobicContact CE1-CE1 4.16Å; Y186-W225 HydrophobicContact CE1-CB 4.4Å; Y186-S228 WeakPolarHBondContact CE1-OG 3.24Å; Y186-S228 VanDerWaalsContact CE2-OG 3.22Å; Y186-S228 WeakPolarHBondContact CE2-OG 3.45Å; Y186-I229 HydrophobicContact CD1-CD1 4.04Å; Y186-I229 HydrophobicContact CG-CD1 4.45Å |
| 187 | N | 94.5 | Very high | 90 | Very high | 27 Ų | 27 | 57.2 Ų | 57.2 | 14% | 0.144 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.8 | -35.5 | 174.8 | -61.2 | -56.4 | 0 | 0 | 0 | 113.2 | S185 M191 N232 N236 F239 L273 | S185-N187 PolarHBondContact O-N 3.28Å; S185-N187 VanDerWaalsContact O-N 3.12Å; N187-M191 VanDerWaalsContact O-CB 3.31Å; N187-M191 WeakPolarHBondContact O-CB 3.47Å; N187-M191 PolarHBondContact O-N 3Å; N187-N232 PolarHBondContact ND2-OD1 3.11Å; N187-N232 WeakPolarHBondContact OD1-CB 3.21Å; N187-N232 PolarHBondContact OD1-OD1 2.85Å; N187-N232 VanDerWaalsContact OD1-OD1 3.13Å; N187-N236 PolarHBondContact OD1-ND2 3.01Å; N187-F239 HydrophobicContact CB-CE2 4.41Å; N187-F239 HydrophobicContact CB-CZ 4.43Å; N187-F239 WeakPolarHBondContact OD1-CE2 3.49Å; N187-L273 HydrophobicContact CB-CD2 4.45Å |
| 188 | A | 94.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -68.6 | -39.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | F184 S185 M191 M192 I266 G271 | F184-A188 HydrophobicContact CB-CB 4.37Å; F184-A188 HydrophobicContact CD1-CB 4.38Å; S185-A188 WeakPolarHBondContact O-CA 3.47Å; S185-A188 WeakPolarHBondContact O-CB 3.34Å; S185-A188 PolarHBondContact O-N 3.01Å; S185-A188 WeakPolarHBondContact OG-CB 3.22Å; S185-A188 PolarHBondContact OG-N 3.05Å; A188-M191 PolarHBondContact O-N 3.34Å; A188-M192 VanDerWaalsContact O-CB 3.25Å; A188-M192 WeakPolarHBondContact O-CB 3.15Å; A188-M192 PolarHBondContact O-N 3.35Å; A188-I266 HydrophobicContact CB-CD1 4.09Å; A188-I266 HydrophobicContact CB-CG1 3.97Å; A188-I266 HydrophobicContact CB-CG2 4Å; A188-I266 WeakPolarHBondContact O-CD1 3.48Å; A188-G271 WeakPolarHBondContact CB-O 3.23Å |
| 189 | L | 95 | Very high | 92.7 | Very high | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.9 | -46.9 | 176 | -64.8 | 176.1 | 0 | 0 | 0 | 112.2 | F184 S185 Y186 M192 A193 I211 F215 Y218 | F184-L189 HydrophobicContact CB-CD2 3.76Å; F184-L189 HydrophobicContact CB-CG 4.02Å; F184-L189 HydrophobicContact CD2-CD2 4.33Å; F184-L189 HydrophobicContact CG-CD2 4.33Å; S185-L189 PolarHBondContact O-N 2.92Å; Y186-L189 HydrophobicContact CD1-CD1 4.18Å; Y186-L189 PolarHBondContact O-N 3.39Å; L189-M192 PolarHBondContact O-N 3.02Å; L189-A193 PolarHBondContact O-N 3.19Å; L189-I211 HydrophobicContact CB-CD1 4.1Å; L189-I211 HydrophobicContact CB-CG1 4.3Å; L189-F215 HydrophobicContact CD2-CD2 3.7Å; L189-F215 HydrophobicContact CD2-CE2 3.33Å; L189-F215 HydrophobicContact CD2-CZ 4.02Å; L189-Y218 HydrophobicContact CD1-CE2 3.79Å |
| 190 | I | 96 | Very high | 93.2 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.3 | -46.2 | 176.6 | -65.2 | 160.6 | 0 | 0 | 0 | 110.8 | Y186 M192 A193 I194 I207 I229 N232 L233 F239 | Y186-I190 WeakPolarHBondContact O-CD1 3.41Å; Y186-I190 VanDerWaalsContact O-CG1 3.27Å; Y186-I190 WeakPolarHBondContact O-CG1 3.48Å; Y186-I190 PolarHBondContact O-N 2.9Å; I190-M192 VanDerWaalsContact C-N 3.33Å; I190-M192 PolarHBondContact O-N 3.44Å; I190-A193 WeakPolarHBondContact O-CB 3.4Å; I190-A193 PolarHBondContact O-N 2.99Å; I190-I194 HydrophobicContact CG2-CD1 3.85Å; I190-I194 WeakPolarHBondContact O-CG1 3.36Å; I190-I194 PolarHBondContact O-N 3.41Å; I190-I207 HydrophobicContact CG1-CG2 4.29Å; I190-I207 HydrophobicContact CG2-CD1 4.42Å; I190-I229 HydrophobicContact CD1-CD1 4.01Å; I190-I229 HydrophobicContact CD1-CG2 4.33Å; I190-I229 HydrophobicContact CG1-CD1 3.81Å; I190-I229 HydrophobicContact CG1-CG2 4.33Å; I190-N232 HydrophobicContact CD1-CB 3.81Å; I190-L233 HydrophobicContact CD1-CD2 4.19Å; I190-L233 HydrophobicContact CD1-CG 4.09Å; I190-L233 HydrophobicContact CG2-CD2 3.63Å; I190-F239 HydrophobicContact CB-CE1 4.11Å; I190-F239 HydrophobicContact CB-CE2 4.1Å; I190-F239 HydrophobicContact CB-CZ 3.73Å; I190-F239 HydrophobicContact CD1-CE2 4.05Å; I190-F239 HydrophobicContact CG2-CD1 3.74Å; I190-F239 HydrophobicContact CG2-CD2 4.1Å; I190-F239 HydrophobicContact CG2-CE1 3.47Å; I190-F239 VanDerWaalsContact CG2-CE1 3.47Å; I190-F239 HydrophobicContact CG2-CE2 3.84Å; I190-F239 HydrophobicContact CG2-CG 4.06Å; I190-F239 HydrophobicContact CG2-CZ 3.53Å |
| 191 | M | 94.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.5 | -41.1 | 176.8 | 174.7 | 174.9 | -80.5 | 0 | 0 | 112.1 | N187 A188 A193 R195 F239 L257 V264 I266 L273 | N187-M191 VanDerWaalsContact O-CB 3.31Å; N187-M191 WeakPolarHBondContact O-CB 3.47Å; N187-M191 PolarHBondContact O-N 3Å; A188-M191 PolarHBondContact O-N 3.34Å; M191-A193 VanDerWaalsContact C-N 3.34Å; M191-R195 HydrophobicContact CG-CG 4.35Å; M191-R195 VanDerWaalsContact O-CB 3.29Å; M191-R195 WeakPolarHBondContact O-CB 3.37Å; M191-R195 WeakPolarHBondContact O-CG 3.03Å; M191-R195 PolarHBondContact O-N 2.72Å; M191-R195 PolarHBondContact SD-NH1 3Å; M191-F239 HydrophobicContact CB-CE1 4.41Å; M191-L257 HydrophobicContact CE-CD1 3.58Å; M191-L257 HydrophobicContact CE-CD2 3.92Å; M191-L257 HydrophobicContact CE-CG 4.41Å; M191-L257 HydrophobicContact CG-CD2 4.5Å; M191-V264 HydrophobicContact CE-CB 4.32Å; M191-I266 HydrophobicContact SD-CG1 4.46Å; M191-L273 HydrophobicContact CE-CD1 3.6Å; M191-L273 HydrophobicContact CE-CD2 4.15Å; M191-L273 HydrophobicContact SD-CD1 3.37Å; M191-L273 WeakPolarHBondContact SD-CD1 3.27Å |
| 192 | M | 94.4 | Very high | 94 | Very high | 30 Ų | 30 | 46.7 Ų | 46.7 | 15% | 0.148 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.4 | -42.7 | 177.2 | -165.6 | -170.4 | -59.1 | 0 | 0 | 111 | F184 A188 L189 I190 Q196 F210 F215 I266 | F184-M192 HydrophobicContact CD1-CE 4.24Å; F184-M192 HydrophobicContact CD2-CE 4.22Å; F184-M192 HydrophobicContact CE1-CE 4.11Å; F184-M192 HydrophobicContact CE2-CE 4.08Å; F184-M192 HydrophobicContact CG-CE 4.31Å; F184-M192 HydrophobicContact CZ-CE 4.03Å; A188-M192 VanDerWaalsContact O-CB 3.25Å; A188-M192 WeakPolarHBondContact O-CB 3.15Å; A188-M192 PolarHBondContact O-N 3.35Å; L189-M192 PolarHBondContact O-N 3.02Å; I190-M192 VanDerWaalsContact C-N 3.33Å; I190-M192 PolarHBondContact O-N 3.44Å; M192-Q196 WeakPolarHBondContact O-CB 3.48Å; M192-Q196 WeakPolarHBondContact O-CG 3.36Å; M192-Q196 PolarHBondContact O-N 3.17Å; M192-F210 HydrophobicContact CB-CE1 4.16Å; M192-F210 HydrophobicContact CB-CZ 4.36Å; M192-F210 HydrophobicContact CG-CE1 4.08Å; M192-F210 HydrophobicContact CG-CZ 3.94Å; M192-F210 HydrophobicContact SD-CE1 4.25Å; M192-F210 HydrophobicContact SD-CZ 4.36Å; M192-F215 HydrophobicContact CE-CE2 4.43Å; M192-F215 HydrophobicContact CE-CZ 4.12Å; M192-F215 HydrophobicContact SD-CE2 4.07Å; M192-F215 HydrophobicContact SD-CZ 4.05Å; M192-I266 HydrophobicContact CB-CD1 4.08Å; M192-I266 HydrophobicContact CE-CD1 3.99Å |
| 193 | A | 96.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.7 | -57 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L189 I190 M191 R195 Q196 S197 L202 I207 F210 | L189-A193 PolarHBondContact O-N 3.19Å; I190-A193 WeakPolarHBondContact O-CB 3.4Å; I190-A193 PolarHBondContact O-N 2.99Å; M191-A193 VanDerWaalsContact C-N 3.34Å; A193-R195 VanDerWaalsContact C-N 3.3Å; A193-R195 PolarHBondContact O-N 3.44Å; A193-Q196 PolarHBondContact O-N 3.44Å; A193-S197 PolarHBondContact O-N 2.85Å; A193-S197 VanDerWaalsContact O-N 3.12Å; A193-L202 HydrophobicContact CB-CD1 3.83Å; A193-L202 WeakPolarHBondContact O-CD1 3.39Å; A193-I207 HydrophobicContact CB-CG1 4.38Å; A193-F210 VanDerWaalsContact CA-CE1 3.43Å; A193-F210 HydrophobicContact CB-CB 3.99Å; A193-F210 HydrophobicContact CB-CD1 3.35Å; A193-F210 HydrophobicContact CB-CD2 4.15Å; A193-F210 HydrophobicContact CB-CE1 3.79Å; A193-F210 HydrophobicContact CB-CG 3.55Å; A193-F210 HydrophobicContact CB-CZ 4.34Å |
| 194 | I | 95.6 | Very high | 94.8 | Very high | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.4 | -39.8 | -177.2 | -63.9 | 172.1 | 0 | 0 | 0 | 110.6 | I190 S197 K200 L202 F239 W255 L257 | I190-I194 HydrophobicContact CG2-CD1 3.85Å; I190-I194 WeakPolarHBondContact O-CG1 3.36Å; I190-I194 PolarHBondContact O-N 3.41Å; I194-S197 WeakPolarHBondContact O-CB 3.18Å; I194-S197 PolarHBondContact O-N 3.31Å; I194-S197 PolarHBondContact O-OG 2.99Å; I194-K200 VanDerWaalsContact CG2-O 3.23Å; I194-K200 WeakPolarHBondContact CG2-O 3.42Å; I194-L202 HydrophobicContact CG1-CB 4.19Å; I194-F239 HydrophobicContact CD1-CD1 3.99Å; I194-F239 HydrophobicContact CD1-CE1 4.42Å; I194-W255 HydrophobicContact CD1-CB 4.32Å; I194-L257 HydrophobicContact CG2-CB 4.23Å |
| 195 | R | 93.3 | Very high | 95 | Very high | 79 Ų | 79 | 47 Ų | 47 | 30% | 0.298 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -70.7 | -31.9 | 179.5 | -76.8 | -175.9 | 161.1 | 168.7 | -9.7 | 114.8 | M191 A193 S197 K200 L257 D262 V264 | M191-R195 HydrophobicContact CG-CG 4.35Å; M191-R195 VanDerWaalsContact O-CB 3.29Å; M191-R195 WeakPolarHBondContact O-CB 3.37Å; M191-R195 WeakPolarHBondContact O-CG 3.03Å; M191-R195 PolarHBondContact O-N 2.72Å; M191-R195 PolarHBondContact SD-NH1 3Å; A193-R195 VanDerWaalsContact C-N 3.3Å; A193-R195 PolarHBondContact O-N 3.44Å; R195-S197 VanDerWaalsContact C-N 3.35Å; R195-K200 PolarHBondContact O-NZ 2.8Å; R195-L257 HydrophobicContact CG-CD2 4.35Å; R195-D262 IonicContact CZ-OD1 3.56Å; R195-D262 IonicContact NE-OD1 3.5Å; R195-D262 VanDerWaalsContact NH2-CA 3.27Å; R195-D262 PolarHBondContact NH2-O 3.48Å; R195-D262 IonicContact NH2-OD1 2.72Å; R195-D262 PolarHBondContact NH2-OD1 2.77Å; R195-V264 PolarHBondContact NH1-O 3.08Å; R195-V264 PolarHBondContact NH2-O 3.13Å |
| 196 | Q | 94.2 | Very high | 95.1 | Very high | 121 Ų | 121 | 46.3 Ų | 46.3 | 57% | 0.565 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -81.6 | -12.9 | 175.5 | -71.2 | -174.6 | 16 | 0 | 0 | 113.1 | M192 A193 F210 | M192-Q196 WeakPolarHBondContact O-CB 3.48Å; M192-Q196 WeakPolarHBondContact O-CG 3.36Å; M192-Q196 PolarHBondContact O-N 3.17Å; A193-Q196 PolarHBondContact O-N 3.44Å; Q196-F210 HydrophobicContact CB-CE2 3.67Å; Q196-F210 HydrophobicContact CB-CZ 4.11Å; Q196-F210 HydrophobicContact CG-CE2 4.22Å; Q196-F210 HydrophobicContact CG-CZ 4.22Å; Q196-F210 VanDerWaalsContact OE1-CZ 3.23Å |
| 197 | S | 94.7 | Very high | 95.2 | Very high | 13 Ų | 13 | 43.2 Ų | 43.2 | 9% | 0.091 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -64.1 | 144.2 | 166.5 | 77.7 | 0 | 0 | 0 | 0 | 111 | A193 I194 R195 K200 R201 | A193-S197 PolarHBondContact O-N 2.85Å; A193-S197 VanDerWaalsContact O-N 3.12Å; I194-S197 WeakPolarHBondContact O-CB 3.18Å; I194-S197 PolarHBondContact O-N 3.31Å; I194-S197 PolarHBondContact O-OG 2.99Å; R195-S197 VanDerWaalsContact C-N 3.35Å; S197-K200 PolarHBondContact O-NZ 2.96Å; S197-K200 VanDerWaalsContact OG-CA 3.27Å; S197-K200 WeakPolarHBondContact OG-CA 3.4Å; S197-K200 PolarHBondContact OG-N 3.45Å; S197-K200 VanDerWaalsContact OG-N 3.14Å; S197-R201 PolarHBondContact OG-N 3.13Å; S197-R201 PolarHBondContact OG-O 2.95Å |
| 198 | P | 95 | Very high | 95.3 | Very high | 122 Ų | 122 | 42.7 Ų | 42.7 | 79% | 0.792 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -45.3 | 177.9 | 24.1 | -31 | 0 | 0 | 0 | 111 | K200 | P198-K200 VanDerWaalsContact C-N 3.3Å; P198-K200 PolarHBondContact O-N 2.87Å |
| 199 | E | 94.2 | Very high | 95.4 | Very high | 103 Ų | 103 | 47.2 Ų | 47.2 | 48% | 0.481 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -2.8 | -175.9 | -55.2 | -173.8 | 123.4 | 0 | 0 | 115.1 | R201 | E199-R201 HydrophobicContact CB-CG 3.7Å; E199-R201 PolarHBondContact O-N 2.93Å; E199-R201 VanDerWaalsContact O-N 3.08Å; E199-R201 IonicContact OE1-CZ 2.78Å; E199-R201 IonicContact OE1-NE 3.54Å; E199-R201 PolarHBondContact OE1-NE 2.98Å; E199-R201 IonicContact OE1-NH2 3.39Å; E199-R201 PolarHBondContact OE1-NH2 2.89Å; E199-R201 WeakPolarHBondContact OE2-CG 3.09Å; E199-R201 IonicContact OE2-CZ 2.72Å; E199-R201 IonicContact OE2-NE 2.72Å; E199-R201 PolarHBondContact OE2-NE 3.12Å; E199-R201 IonicContact OE2-NH2 3.44Å; E199-R201 PolarHBondContact OE2-NH2 2.97Å |
| 200 | K | 94.2 | Very high | 95.5 | Very high | 108 Ų | 108 | 48.2 Ų | 48.2 | 47% | 0.47 | 24% | 0.241 | S | C | . | . | S | Bend | trans | 55.7 | 19.9 | -170.8 | -48 | -54.9 | 167.9 | -146.7 | 0 | 114.8 | I194 R195 S197 P198 | I194-K200 VanDerWaalsContact CG2-O 3.23Å; I194-K200 WeakPolarHBondContact CG2-O 3.42Å; R195-K200 PolarHBondContact O-NZ 2.8Å; S197-K200 PolarHBondContact O-NZ 2.96Å; S197-K200 VanDerWaalsContact OG-CA 3.27Å; S197-K200 WeakPolarHBondContact OG-CA 3.4Å; S197-K200 PolarHBondContact OG-N 3.45Å; S197-K200 VanDerWaalsContact OG-N 3.14Å; P198-K200 VanDerWaalsContact C-N 3.3Å; P198-K200 PolarHBondContact O-N 2.87Å |
| 201 | R | 94.5 | Very high | 95.5 | Very high | 71 Ų | 71 | 48.2 Ų | 48.2 | 27% | 0.268 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 143.5 | 172.7 | 69.7 | -174.9 | 177.8 | 172.6 | -0.5 | 109.6 | S197 E199 Y254 W255 M256 | S197-R201 PolarHBondContact OG-N 3.13Å; S197-R201 PolarHBondContact OG-O 2.95Å; E199-R201 HydrophobicContact CB-CG 3.7Å; E199-R201 PolarHBondContact O-N 2.93Å; E199-R201 VanDerWaalsContact O-N 3.08Å; E199-R201 IonicContact OE1-CZ 2.78Å; E199-R201 IonicContact OE1-NE 3.54Å; E199-R201 PolarHBondContact OE1-NE 2.98Å; E199-R201 IonicContact OE1-NH2 3.39Å; E199-R201 PolarHBondContact OE1-NH2 2.89Å; E199-R201 WeakPolarHBondContact OE2-CG 3.09Å; E199-R201 IonicContact OE2-CZ 2.72Å; E199-R201 IonicContact OE2-NE 2.72Å; E199-R201 PolarHBondContact OE2-NE 3.12Å; E199-R201 IonicContact OE2-NH2 3.44Å; E199-R201 PolarHBondContact OE2-NH2 2.97Å; R201-Y254 HydrophobicContact CB-CD1 4.07Å; R201-Y254 HydrophobicContact CB-CG 4.4Å; R201-Y254 HydrophobicContact CG-CD1 3.72Å; R201-Y254 HydrophobicContact CG-CE1 4.04Å; R201-Y254 HydrophobicContact CG-CG 4.27Å; R201-W255 WeakPolarHBondContact CA-O 3.29Å; R201-M256 HydrophobicContact CB-CE 4.5Å; R201-M256 HydrophobicContact CB-CG 3.36Å; R201-M256 HydrophobicContact CB-SD 3.84Å |
| 202 | L | 96.3 | Very high | 95.5 | Very high | 26 Ų | 26 | 48.7 Ų | 48.7 | 14% | 0.136 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 144 | -178.7 | -126.2 | -179.6 | 0 | 0 | 0 | 111.8 | A193 I194 G206 I207 W255 | A193-L202 HydrophobicContact CB-CD1 3.83Å; A193-L202 WeakPolarHBondContact O-CD1 3.39Å; I194-L202 HydrophobicContact CG1-CB 4.19Å; L202-G206 VanDerWaalsContact CD2-C 3.48Å; L202-G206 VanDerWaalsContact CD2-CA 3.47Å; L202-I207 HydrophobicContact CB-CG1 4.17Å; L202-I207 HydrophobicContact CD1-CG1 4.21Å; L202-W255 PolarHBondContact N-O 3.07Å; L202-W255 PolarHBondContact O-N 2.96Å |
| 203 | T | 96.8 | Very high | 95.5 | Very high | 35 Ų | 35 | 54.3 Ų | 54.3 | 22% | 0.215 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 158.7 | 176.2 | 70.3 | 0 | 0 | 0 | 0 | 110.7 | N205 G206 I207 Y254 | T203-N205 PolarHBondContact O-N 2.85Å; T203-G206 PolarHBondContact O-N 3.14Å; T203-G206 VanDerWaalsContact O-N 3.13Å; T203-G206 PolarHBondContact OG1-N 3.22Å; T203-G206 VanDerWaalsContact OG1-N 3.08Å; T203-I207 WeakPolarHBondContact O-CG1 3.4Å; T203-I207 PolarHBondContact O-N 3.5Å; T203-Y254 HydrophobicContact CG2-CD1 4.12Å; T203-Y254 HydrophobicContact CG2-CE1 3.99Å |
| 204 | L | 96.6 | Very high | 95.4 | Very high | 55 Ų | 55 | 57 Ų | 57 | 29% | 0.288 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -53.9 | -40.9 | 174.8 | 179.1 | 63.5 | 0 | 0 | 0 | 112.1 | I207 Y208 I229 R230 L233 | L204-I207 PolarHBondContact O-N 3.08Å; L204-Y208 HydrophobicContact CD1-CE1 3.76Å; L204-Y208 HydrophobicContact CG-CE1 4.19Å; L204-Y208 HydrophobicContact CG-CE2 4.14Å; L204-Y208 PolarHBondContact O-N 2.92Å; L204-I229 HydrophobicContact CD1-CG2 4.34Å; L204-R230 HydrophobicContact CD1-CG 4.2Å; L204-R230 HydrophobicContact CD2-CG 4.17Å; L204-L233 HydrophobicContact CD1-CD1 3.54Å |
| 205 | N | 96.1 | Very high | 95.3 | Very high | 97 Ų | 97 | 58.5 Ų | 58.5 | 52% | 0.519 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -67.7 | -43.3 | 178 | -158.2 | 85.7 | 0 | 0 | 0 | 111.9 | T203 I207 Y208 E209 | T203-N205 PolarHBondContact O-N 2.85Å; N205-I207 VanDerWaalsContact C-N 3.25Å; N205-I207 PolarHBondContact O-N 3.18Å; N205-Y208 WeakPolarHBondContact O-CA 3.31Å; N205-Y208 WeakPolarHBondContact O-CB 3.38Å; N205-Y208 PolarHBondContact O-N 3.36Å; N205-E209 PolarHBondContact O-N 3.22Å |
| 206 | G | 96.2 | Very high | 95.2 | Very high | 19 Ų | 19 | 56.5 Ų | 56.5 | 20% | 0.196 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.5 | -26.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | L202 T203 F210 | L202-G206 VanDerWaalsContact CD2-C 3.48Å; L202-G206 VanDerWaalsContact CD2-CA 3.47Å; T203-G206 PolarHBondContact O-N 3.14Å; T203-G206 VanDerWaalsContact O-N 3.13Å; T203-G206 PolarHBondContact OG1-N 3.22Å; T203-G206 VanDerWaalsContact OG1-N 3.08Å; G206-F210 VanDerWaalsContact O-CB 3.23Å; G206-F210 WeakPolarHBondContact O-CB 3.28Å; G206-F210 PolarHBondContact O-N 2.8Å |
| 207 | I | 96.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.9 | -39.7 | 169.2 | -65.4 | 166.2 | 0 | 0 | 0 | 110.6 | I190 A193 L202 T203 L204 N205 I211 I229 L233 W255 | I190-I207 HydrophobicContact CG1-CG2 4.29Å; I190-I207 HydrophobicContact CG2-CD1 4.42Å; A193-I207 HydrophobicContact CB-CG1 4.38Å; L202-I207 HydrophobicContact CB-CG1 4.17Å; L202-I207 HydrophobicContact CD1-CG1 4.21Å; T203-I207 WeakPolarHBondContact O-CG1 3.4Å; T203-I207 PolarHBondContact O-N 3.5Å; L204-I207 PolarHBondContact O-N 3.08Å; N205-I207 VanDerWaalsContact C-N 3.25Å; N205-I207 PolarHBondContact O-N 3.18Å; I207-I211 HydrophobicContact CG2-CD1 3.94Å; I207-I211 VanDerWaalsContact O-CG1 3.28Å; I207-I211 WeakPolarHBondContact O-CG1 3.4Å; I207-I211 PolarHBondContact O-N 3.35Å; I207-I211 VanDerWaalsContact O-N 3.14Å; I207-I229 HydrophobicContact CG2-CG2 3.98Å; I207-L233 HydrophobicContact CD1-CD1 4.18Å; I207-L233 HydrophobicContact CD1-CD2 4.16Å; I207-W255 HydrophobicContact CD1-CB 4.32Å |
| 208 | Y | 96.7 | Very high | 95 | Very high | 15 Ų | 15 | 54.5 Ų | 54.5 | 6% | 0.059 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.3 | -48.9 | 174.8 | -56.6 | -24.4 | 0 | 0 | 0 | 111.6 | L204 N205 F210 I211 M212 W225 Q226 I229 R230 | L204-Y208 HydrophobicContact CD1-CE1 3.76Å; L204-Y208 HydrophobicContact CG-CE1 4.19Å; L204-Y208 HydrophobicContact CG-CE2 4.14Å; L204-Y208 PolarHBondContact O-N 2.92Å; N205-Y208 WeakPolarHBondContact O-CA 3.31Å; N205-Y208 WeakPolarHBondContact O-CB 3.38Å; N205-Y208 PolarHBondContact O-N 3.36Å; Y208-F210 VanDerWaalsContact C-N 3.33Å; Y208-F210 PolarHBondContact O-N 3.4Å; Y208-I211 PolarHBondContact O-N 2.82Å; Y208-M212 WeakPolarHBondContact O-CG 3.28Å; Y208-M212 PolarHBondContact O-N 3.21Å; Y208-W225 HydrophobicContact CD1-CH2 4.16Å; Y208-W225 AromaticContact CD1-CZ3 3.8Å; Y208-W225 HydrophobicContact CD1-CZ3 3.8Å; Y208-W225 HydrophobicContact CG-CH2 4.28Å; Y208-W225 HydrophobicContact CG-CZ3 4.38Å; Y208-Q226 HydrophobicContact CD1-CB 4.47Å; Y208-Q226 HydrophobicContact CD1-CG 3.81Å; Y208-Q226 HydrophobicContact CD2-CG 4.14Å; Y208-Q226 HydrophobicContact CE1-CB 3.85Å; Y208-Q226 HydrophobicContact CE1-CG 3.67Å; Y208-Q226 HydrophobicContact CE2-CB 4.39Å; Y208-Q226 HydrophobicContact CE2-CG 4.02Å; Y208-Q226 HydrophobicContact CG-CG 4.03Å; Y208-I229 HydrophobicContact CD1-CG2 4.32Å; Y208-I229 HydrophobicContact CE1-CB 4.17Å; Y208-I229 HydrophobicContact CE1-CG2 3.9Å; Y208-R230 WeakPolarHBondContact OH-CG 3.44Å; Y208-R230 PolarHBondContact OH-NH1 3.24Å |
| 209 | E | 96.7 | Very high | 94.9 | Very high | 96 Ų | 96 | 54.8 Ų | 54.8 | 45% | 0.449 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.6 | -40.6 | 178.3 | -60.6 | -45.4 | 133.7 | 0 | 0 | 112.1 | N205 I211 M212 K213 | N205-E209 PolarHBondContact O-N 3.22Å; E209-I211 PolarHBondContact O-N 2.93Å; E209-M212 VanDerWaalsContact CD-CE 3.41Å; E209-M212 PolarHBondContact O-N 3.27Å; E209-M212 WeakPolarHBondContact OE1-CE 3.27Å; E209-M212 WeakPolarHBondContact OE2-CE 3.47Å; E209-K213 VanDerWaalsContact O-CB 3.24Å; E209-K213 WeakPolarHBondContact O-CB 3.48Å; E209-K213 PolarHBondContact O-N 3.35Å |
| 210 | F | 96.6 | Very high | 94.7 | Very high | 21 Ų | 21 | 56.2 Ų | 56.2 | 9% | 0.092 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.2 | -47.4 | 174.7 | -178.9 | -87.4 | 0 | 0 | 0 | 112.3 | M192 A193 Q196 G206 Y208 N214 | M192-F210 HydrophobicContact CB-CE1 4.16Å; M192-F210 HydrophobicContact CB-CZ 4.36Å; M192-F210 HydrophobicContact CG-CE1 4.08Å; M192-F210 HydrophobicContact CG-CZ 3.94Å; M192-F210 HydrophobicContact SD-CE1 4.25Å; M192-F210 HydrophobicContact SD-CZ 4.36Å; A193-F210 VanDerWaalsContact CA-CE1 3.43Å; A193-F210 HydrophobicContact CB-CB 3.99Å; A193-F210 HydrophobicContact CB-CD1 3.35Å; A193-F210 HydrophobicContact CB-CD2 4.15Å; A193-F210 HydrophobicContact CB-CE1 3.79Å; A193-F210 HydrophobicContact CB-CG 3.55Å; A193-F210 HydrophobicContact CB-CZ 4.34Å; Q196-F210 HydrophobicContact CB-CE2 3.67Å; Q196-F210 HydrophobicContact CB-CZ 4.11Å; Q196-F210 HydrophobicContact CG-CE2 4.22Å; Q196-F210 HydrophobicContact CG-CZ 4.22Å; Q196-F210 VanDerWaalsContact OE1-CZ 3.23Å; G206-F210 VanDerWaalsContact O-CB 3.23Å; G206-F210 WeakPolarHBondContact O-CB 3.28Å; G206-F210 PolarHBondContact O-N 2.8Å; Y208-F210 VanDerWaalsContact C-N 3.33Å; Y208-F210 PolarHBondContact O-N 3.4Å; F210-N214 VanDerWaalsContact CE1-ND2 3.28Å; F210-N214 WeakPolarHBondContact CE1-ND2 3.25Å; F210-N214 WeakPolarHBondContact CE2-ND2 3.49Å; F210-N214 WeakPolarHBondContact CZ-ND2 3.31Å; F210-N214 WeakPolarHBondContact O-CB 3.27Å; F210-N214 PolarHBondContact O-N 3.01Å; F210-N214 VanDerWaalsContact O-N 3.11Å; F210-N214 PolarHBondContact O-ND2 3.49Å |
| 211 | I | 96 | Very high | 94.5 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67 | -46.1 | -179.5 | -68.6 | 169.9 | 0 | 0 | 0 | 110.4 | L189 I207 Y208 E209 K213 N214 F215 Y218 W225 I229 | L189-I211 HydrophobicContact CB-CD1 4.1Å; L189-I211 HydrophobicContact CB-CG1 4.3Å; I207-I211 HydrophobicContact CG2-CD1 3.94Å; I207-I211 VanDerWaalsContact O-CG1 3.28Å; I207-I211 WeakPolarHBondContact O-CG1 3.4Å; I207-I211 PolarHBondContact O-N 3.35Å; I207-I211 VanDerWaalsContact O-N 3.14Å; Y208-I211 PolarHBondContact O-N 2.82Å; E209-I211 PolarHBondContact O-N 2.93Å; I211-K213 VanDerWaalsContact C-N 3.34Å; I211-K213 PolarHBondContact O-N 3.42Å; I211-N214 PolarHBondContact O-N 3.11Å; I211-F215 WeakPolarHBondContact O-CA 3.44Å; I211-F215 WeakPolarHBondContact O-CB 3.48Å; I211-F215 PolarHBondContact O-N 2.87Å; I211-Y218 HydrophobicContact CG2-CD2 3.47Å; I211-Y218 VanDerWaalsContact CG2-CD2 3.47Å; I211-Y218 HydrophobicContact CG2-CE2 4.26Å; I211-Y218 HydrophobicContact CG2-CG 3.68Å; I211-W225 HydrophobicContact CB-CZ3 4.4Å; I211-W225 HydrophobicContact CD1-CZ3 4.28Å; I211-W225 HydrophobicContact CG2-CH2 4.4Å; I211-W225 HydrophobicContact CG2-CZ3 4.22Å; I211-I229 HydrophobicContact CD1-CD1 3.59Å; I211-I229 HydrophobicContact CD1-CG1 4.12Å |
| 212 | M | 94.1 | Very high | 94.3 | Very high | 11 Ų | 11 | 58.9 Ų | 58.9 | 5% | 0.054 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.9 | -30.5 | 178.9 | -68.2 | -174.4 | -58.9 | 0 | 0 | 113.6 | Y208 E209 R219 K222 W225 | Y208-M212 WeakPolarHBondContact O-CG 3.28Å; Y208-M212 PolarHBondContact O-N 3.21Å; E209-M212 VanDerWaalsContact CD-CE 3.41Å; E209-M212 PolarHBondContact O-N 3.27Å; E209-M212 WeakPolarHBondContact OE1-CE 3.27Å; E209-M212 WeakPolarHBondContact OE2-CE 3.47Å; M212-R219 HydrophobicContact CB-CG 4.17Å; M212-R219 PolarHBondContact O-NE 3.25Å; M212-R219 PolarHBondContact O-NH2 2.88Å; M212-K222 HydrophobicContact SD-CD 3.87Å; M212-K222 WeakPolarHBondContact SD-CE 3.15Å; M212-K222 HydrophobicContact SD-CG 4.45Å; M212-K222 PolarHBondContact SD-NZ 2.85Å; M212-W225 HydrophobicContact CG-CH2 3.97Å; M212-W225 HydrophobicContact CG-CZ2 3.73Å; M212-W225 HydrophobicContact SD-CH2 4.44Å; M212-W225 HydrophobicContact SD-CZ2 4.05Å |
| 213 | K | 94.8 | Very high | 94.2 | Very high | 147 Ų | 147 | 63.8 Ų | 63.8 | 64% | 0.639 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -69.2 | -53.1 | 175 | -171.1 | -178.6 | 71.7 | 167.9 | 0 | 111 | E209 I211 | E209-K213 VanDerWaalsContact O-CB 3.24Å; E209-K213 WeakPolarHBondContact O-CB 3.48Å; E209-K213 PolarHBondContact O-N 3.35Å; I211-K213 VanDerWaalsContact C-N 3.34Å; I211-K213 PolarHBondContact O-N 3.42Å |
| 214 | N | 94 | Very high | 94.1 | Very high | 57 Ų | 57 | 64 Ų | 64 | 31% | 0.305 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -82.8 | -25.2 | -170.7 | -64.5 | -16.8 | 0 | 0 | 0 | 113.6 | F210 I211 | F210-N214 VanDerWaalsContact CE1-ND2 3.28Å; F210-N214 WeakPolarHBondContact CE1-ND2 3.25Å; F210-N214 WeakPolarHBondContact CE2-ND2 3.49Å; F210-N214 WeakPolarHBondContact CZ-ND2 3.31Å; F210-N214 WeakPolarHBondContact O-CB 3.27Å; F210-N214 PolarHBondContact O-N 3.01Å; F210-N214 VanDerWaalsContact O-N 3.11Å; F210-N214 PolarHBondContact O-ND2 3.49Å; I211-N214 PolarHBondContact O-N 3.11Å |
| 215 | F | 92.9 | Very high | 94 | Very high | 33 Ų | 33 | 62 Ų | 62 | 15% | 0.145 | 30% | 0.303 | C | S | . | . | trans | -132.7 | 87.4 | -175.5 | -60.4 | -66.8 | 0 | 0 | 0 | 110.6 | P182 F184 L189 M192 I211 Y217 Y218 | P182-F215 HydrophobicContact CB-CD1 3.7Å; P182-F215 HydrophobicContact CB-CE1 3.88Å; P182-F215 HydrophobicContact CB-CG 4.33Å; P182-F215 HydrophobicContact CG-CB 3.8Å; P182-F215 HydrophobicContact CG-CD1 3.31Å; P182-F215 HydrophobicContact CG-CE1 4.03Å; P182-F215 HydrophobicContact CG-CG 3.68Å; F184-F215 AromaticContact CD2-CE1 3.95Å; F184-F215 HydrophobicContact CD2-CE1 3.95Å; F184-F215 AromaticContact CD2-CZ 3.7Å; F184-F215 HydrophobicContact CD2-CZ 3.7Å; F184-F215 AromaticContact CE2-CE1 3.92Å; F184-F215 HydrophobicContact CE2-CE1 3.92Å; F184-F215 AromaticContact CE2-CZ 3.77Å; F184-F215 HydrophobicContact CE2-CZ 3.77Å; L189-F215 HydrophobicContact CD2-CD2 3.7Å; L189-F215 HydrophobicContact CD2-CE2 3.33Å; L189-F215 HydrophobicContact CD2-CZ 4.02Å; M192-F215 HydrophobicContact CE-CE2 4.43Å; M192-F215 HydrophobicContact CE-CZ 4.12Å; M192-F215 HydrophobicContact SD-CE2 4.07Å; M192-F215 HydrophobicContact SD-CZ 4.05Å; I211-F215 WeakPolarHBondContact O-CA 3.44Å; I211-F215 WeakPolarHBondContact O-CB 3.48Å; I211-F215 PolarHBondContact O-N 2.87Å; F215-Y217 PolarHBondContact O-N 2.89Å; F215-Y218 HydrophobicContact CB-CD2 3.79Å; F215-Y218 HydrophobicContact CB-CE2 4.29Å; F215-Y218 PolarHBondContact O-N 3.47Å | ||
| 216 | P | 92 | Very high | 94 | Very high | 36 Ų | 36 | 58.9 Ų | 58.9 | 23% | 0.234 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -53.9 | -27.6 | -174.8 | -30.1 | 37.1 | 0 | 0 | 0 | 115.5 | Y179 Y218 R219 | Y179-P216 HydrophobicContact CD1-CB 3.99Å; Y179-P216 HydrophobicContact CD2-CB 3.89Å; Y179-P216 HydrophobicContact CE1-CB 3.76Å; Y179-P216 HydrophobicContact CE1-CG 4.28Å; Y179-P216 HydrophobicContact CE2-CB 3.64Å; Y179-P216 HydrophobicContact CG-CB 4.06Å; P216-Y218 PolarHBondContact O-N 3.43Å; P216-Y218 VanDerWaalsContact O-N 3.11Å; P216-R219 VanDerWaalsContact O-CB 3.28Å; P216-R219 WeakPolarHBondContact O-CB 3.22Å; P216-R219 VanDerWaalsContact O-CG 3.31Å; P216-R219 WeakPolarHBondContact O-CG 3.34Å; P216-R219 PolarHBondContact O-N 3.18Å |
| 217 | Y | 91.8 | Very high | 94 | Very high | 89 Ų | 89 | 62.4 Ų | 62.4 | 35% | 0.349 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -45.5 | -38.3 | 170.3 | 176.9 | -106.1 | 0 | 0 | 0 | 114.2 | Y179 K181 F215 R219 | Y179-Y217 WeakPolarHBondContact O-CD2 3.38Å; K181-Y217 HydrophobicContact CB-CD1 4.19Å; K181-Y217 HydrophobicContact CB-CE1 3.72Å; K181-Y217 HydrophobicContact CB-CE2 4.1Å; K181-Y217 HydrophobicContact CD-CE1 4.12Å; K181-Y217 HydrophobicContact CG-CD1 4.2Å; K181-Y217 HydrophobicContact CG-CE1 3.62Å; F215-Y217 PolarHBondContact O-N 2.89Å; Y217-R219 VanDerWaalsContact C-N 3.31Å; Y217-R219 PolarHBondContact O-N 2.93Å |
| 218 | Y | 93.5 | Very high | 94 | Very high | 4 Ų | 4 | 63.2 Ų | 63.2 | 2% | 0.016 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -86.8 | 8.4 | -178.4 | -64.9 | -69.1 | 0 | 0 | 0 | 113.7 | P182 Y186 L189 I211 F215 P216 E220 W225 | P182-Y218 HydrophobicContact CG-CE2 3.96Å; Y186-Y218 HydrophobicContact CE1-CE1 4.16Å; L189-Y218 HydrophobicContact CD1-CE2 3.79Å; I211-Y218 HydrophobicContact CG2-CD2 3.47Å; I211-Y218 VanDerWaalsContact CG2-CD2 3.47Å; I211-Y218 HydrophobicContact CG2-CE2 4.26Å; I211-Y218 HydrophobicContact CG2-CG 3.68Å; F215-Y218 HydrophobicContact CB-CD2 3.79Å; F215-Y218 HydrophobicContact CB-CE2 4.29Å; F215-Y218 PolarHBondContact O-N 3.47Å; P216-Y218 PolarHBondContact O-N 3.43Å; P216-Y218 VanDerWaalsContact O-N 3.11Å; Y218-E220 VanDerWaalsContact C-N 3.33Å; Y218-W225 HydrophobicContact CD1-CB 4.01Å; Y218-W225 AromaticContact CD1-CD1 3.81Å; Y218-W225 HydrophobicContact CD1-CD2 4.05Å; Y218-W225 AromaticContact CD1-CG 3.69Å; Y218-W225 HydrophobicContact CD1-CG 3.69Å; Y218-W225 HydrophobicContact CE1-CB 4.25Å; Y218-W225 HydrophobicContact CE1-CG 4.42Å; Y218-W225 HydrophobicContact CG-CD2 4.48Å; Y218-W225 WeakPolarHBondContact O-CZ2 3.37Å; Y218-W225 PolarHBondContact O-NE1 3.08Å |
| 219 | R | 92.4 | Very high | 94 | Very high | 128 Ų | 128 | 62.5 Ų | 62.5 | 48% | 0.483 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -72.4 | -32.4 | 172 | -66.3 | 174.3 | -176 | -172.8 | 2.7 | 111.5 | M212 P216 Y217 K222 | M212-R219 HydrophobicContact CB-CG 4.17Å; M212-R219 PolarHBondContact O-NE 3.25Å; M212-R219 PolarHBondContact O-NH2 2.88Å; P216-R219 VanDerWaalsContact O-CB 3.28Å; P216-R219 WeakPolarHBondContact O-CB 3.22Å; P216-R219 VanDerWaalsContact O-CG 3.31Å; P216-R219 WeakPolarHBondContact O-CG 3.34Å; P216-R219 PolarHBondContact O-N 3.18Å; Y217-R219 VanDerWaalsContact C-N 3.31Å; Y217-R219 PolarHBondContact O-N 2.93Å; R219-K222 WeakPolarHBondContact O-CE 3.2Å; R219-K222 WeakPolarHBondContact O-CG 3.19Å |
| 220 | E | 89.8 | Confident | 94 | Very high | 133 Ų | 133 | 61.7 Ų | 61.7 | 62% | 0.621 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -81.2 | 165.8 | 173.2 | -67.6 | 169.1 | -134.1 | 0 | 0 | 111.9 | Y218 K222 W225 | Y218-E220 VanDerWaalsContact C-N 3.33Å; E220-K222 PolarHBondContact O-N 3.39Å; E220-W225 PolarHBondContact O-NE1 3.48Å |
| 221 | N | 88.9 | Confident | 94 | Very high | 133 Ų | 133 | 64.9 Ų | 64.9 | 71% | 0.711 | 31% | 0.311 | S | S | * | . | S | Bend | trans | 42.8 | 43.4 | 176.5 | -156.3 | -88.7 | 0 | 0 | 0 | 115 | Q223 G224 | N221-Q223 VanDerWaalsContact C-N 3.31Å; N221-Q223 PolarHBondContact O-N 2.97Å; N221-Q223 VanDerWaalsContact O-N 3.13Å; N221-G224 PolarHBondContact O-N 2.9Å; N221-G224 VanDerWaalsContact O-N 3.13Å |
| 222 | K | 92.1 | Very high | 94.1 | Very high | 101 Ų | 101 | 65.5 Ų | 65.5 | 44% | 0.439 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -49.1 | -47.2 | -170.6 | -63.8 | -166.9 | -175.7 | -168.8 | 0 | 113.7 | M212 R219 E220 G224 Q226 | M212-K222 HydrophobicContact SD-CD 3.87Å; M212-K222 WeakPolarHBondContact SD-CE 3.15Å; M212-K222 HydrophobicContact SD-CG 4.45Å; M212-K222 PolarHBondContact SD-NZ 2.85Å; R219-K222 WeakPolarHBondContact O-CE 3.2Å; R219-K222 WeakPolarHBondContact O-CG 3.19Å; E220-K222 PolarHBondContact O-N 3.39Å; K222-G224 VanDerWaalsContact C-N 3.33Å; K222-G224 PolarHBondContact O-N 3.35Å; K222-Q226 WeakPolarHBondContact O-CB 3.47Å; K222-Q226 WeakPolarHBondContact O-CG 3.25Å; K222-Q226 PolarHBondContact O-N 3.05Å |
| 223 | Q | 93.6 | Very high | 94.1 | Very high | 130 Ų | 130 | 65.1 Ų | 65.1 | 61% | 0.607 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -60.4 | -37.3 | -175.4 | 179 | 64.7 | -34.5 | 0 | 0 | 113.6 | N221 N227 | N221-Q223 VanDerWaalsContact C-N 3.31Å; N221-Q223 PolarHBondContact O-N 2.97Å; N221-Q223 VanDerWaalsContact O-N 3.13Å; Q223-N227 WeakPolarHBondContact O-CB 3.21Å; Q223-N227 PolarHBondContact O-N 3.28Å; Q223-N227 VanDerWaalsContact O-N 3.1Å |
| 224 | G | 93.7 | Very high | 94.1 | Very high | 39 Ų | 39 | 62.7 Ų | 62.7 | 40% | 0.402 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65.5 | -57 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | N221 K222 N227 S228 | N221-G224 PolarHBondContact O-N 2.9Å; N221-G224 VanDerWaalsContact O-N 3.13Å; K222-G224 VanDerWaalsContact C-N 3.33Å; K222-G224 PolarHBondContact O-N 3.35Å; G224-N227 PolarHBondContact O-N 3.26Å; G224-S228 PolarHBondContact O-N 3.43Å |
| 225 | W | 95 | Very high | 94.1 | Very high | 14 Ų | 14 | 65.4 Ų | 65.4 | 5% | 0.053 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -74.2 | -32.6 | -179 | 68.1 | -100.8 | 0 | 0 | 0 | 112.5 | Y186 Y208 I211 M212 Y218 E220 N227 S228 I229 | Y186-W225 HydrophobicContact CE1-CB 4.4Å; Y208-W225 HydrophobicContact CD1-CH2 4.16Å; Y208-W225 AromaticContact CD1-CZ3 3.8Å; Y208-W225 HydrophobicContact CD1-CZ3 3.8Å; Y208-W225 HydrophobicContact CG-CH2 4.28Å; Y208-W225 HydrophobicContact CG-CZ3 4.38Å; I211-W225 HydrophobicContact CB-CZ3 4.4Å; I211-W225 HydrophobicContact CD1-CZ3 4.28Å; I211-W225 HydrophobicContact CG2-CH2 4.4Å; I211-W225 HydrophobicContact CG2-CZ3 4.22Å; M212-W225 HydrophobicContact CG-CH2 3.97Å; M212-W225 HydrophobicContact CG-CZ2 3.73Å; M212-W225 HydrophobicContact SD-CH2 4.44Å; M212-W225 HydrophobicContact SD-CZ2 4.05Å; Y218-W225 HydrophobicContact CD1-CB 4.01Å; Y218-W225 AromaticContact CD1-CD1 3.81Å; Y218-W225 HydrophobicContact CD1-CD2 4.05Å; Y218-W225 AromaticContact CD1-CG 3.69Å; Y218-W225 HydrophobicContact CD1-CG 3.69Å; Y218-W225 HydrophobicContact CE1-CB 4.25Å; Y218-W225 HydrophobicContact CE1-CG 4.42Å; Y218-W225 HydrophobicContact CG-CD2 4.48Å; Y218-W225 WeakPolarHBondContact O-CZ2 3.37Å; Y218-W225 PolarHBondContact O-NE1 3.08Å; E220-W225 PolarHBondContact O-NE1 3.48Å; W225-N227 VanDerWaalsContact C-N 3.26Å; W225-N227 PolarHBondContact O-N 3.32Å; W225-S228 PolarHBondContact O-N 3.3Å; W225-S228 PolarHBondContact O-OG 3Å; W225-I229 HydrophobicContact CE3-CG1 3.86Å; W225-I229 HydrophobicContact CZ3-CG1 4.16Å; W225-I229 WeakPolarHBondContact O-CG1 3.32Å; W225-I229 PolarHBondContact O-N 3.24Å |
| 226 | Q | 96.9 | Very high | 94 | Very high | 31 Ų | 31 | 65.8 Ų | 65.8 | 15% | 0.145 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.9 | -35.6 | 173.8 | -73.8 | -178.7 | -0.7 | 0 | 0 | 111.6 | Y208 K222 S228 I229 R230 | Y208-Q226 HydrophobicContact CD1-CB 4.47Å; Y208-Q226 HydrophobicContact CD1-CG 3.81Å; Y208-Q226 HydrophobicContact CD2-CG 4.14Å; Y208-Q226 HydrophobicContact CE1-CB 3.85Å; Y208-Q226 HydrophobicContact CE1-CG 3.67Å; Y208-Q226 HydrophobicContact CE2-CB 4.39Å; Y208-Q226 HydrophobicContact CE2-CG 4.02Å; Y208-Q226 HydrophobicContact CG-CG 4.03Å; K222-Q226 WeakPolarHBondContact O-CB 3.47Å; K222-Q226 WeakPolarHBondContact O-CG 3.25Å; K222-Q226 PolarHBondContact O-N 3.05Å; Q226-S228 VanDerWaalsContact C-N 3.33Å; Q226-I229 PolarHBondContact O-N 3.04Å; Q226-R230 WeakPolarHBondContact O-CG 3.01Å; Q226-R230 PolarHBondContact O-N 3.11Å |
| 227 | N | 96.5 | Very high | 94 | Very high | 92 Ų | 92 | 73.2 Ų | 73.2 | 49% | 0.492 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.3 | -40.7 | 172.5 | -157.3 | 44.4 | 0 | 0 | 0 | 112 | Q223 G224 W225 R230 H231 | Q223-N227 WeakPolarHBondContact O-CB 3.21Å; Q223-N227 PolarHBondContact O-N 3.28Å; Q223-N227 VanDerWaalsContact O-N 3.1Å; G224-N227 PolarHBondContact O-N 3.26Å; W225-N227 VanDerWaalsContact C-N 3.26Å; W225-N227 PolarHBondContact O-N 3.32Å; N227-R230 PolarHBondContact O-N 3.34Å; N227-R230 PolarHBondContact OD1-NE 3.16Å; N227-R230 PolarHBondContact OD1-NH2 3.44Å; N227-H231 PolarHBondContact O-N 3.12Å |
| 228 | S | 96.2 | Very high | 94.1 | Very high | 18 Ų | 18 | 70 Ų | 70 | 13% | 0.126 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -68 | -33.7 | 176.6 | 75.6 | 0 | 0 | 0 | 0 | 113.4 | Y186 G224 W225 Q226 H231 N232 | Y186-S228 WeakPolarHBondContact CE1-OG 3.24Å; Y186-S228 VanDerWaalsContact CE2-OG 3.22Å; Y186-S228 WeakPolarHBondContact CE2-OG 3.45Å; G224-S228 PolarHBondContact O-N 3.43Å; W225-S228 PolarHBondContact O-N 3.3Å; W225-S228 PolarHBondContact O-OG 3Å; Q226-S228 VanDerWaalsContact C-N 3.33Å; S228-H231 PolarHBondContact O-CD2 3.44Å; S228-H231 PolarHBondContact O-N 3.33Å; S228-N232 WeakPolarHBondContact O-CB 3.45Å; S228-N232 PolarHBondContact O-N 3.43Å; S228-N232 PolarHBondContact O-ND2 3.32Å |
| 229 | I | 96.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.9 | -45.7 | 171.2 | -67 | -67.3 | 0 | 0 | 0 | 110.5 | Y186 I190 L204 I207 Y208 I211 W225 Q226 H231 N232 L233 | Y186-I229 HydrophobicContact CD1-CD1 4.04Å; Y186-I229 HydrophobicContact CG-CD1 4.45Å; I190-I229 HydrophobicContact CD1-CD1 4.01Å; I190-I229 HydrophobicContact CD1-CG2 4.33Å; I190-I229 HydrophobicContact CG1-CD1 3.81Å; I190-I229 HydrophobicContact CG1-CG2 4.33Å; L204-I229 HydrophobicContact CD1-CG2 4.34Å; I207-I229 HydrophobicContact CG2-CG2 3.98Å; Y208-I229 HydrophobicContact CD1-CG2 4.32Å; Y208-I229 HydrophobicContact CE1-CB 4.17Å; Y208-I229 HydrophobicContact CE1-CG2 3.9Å; I211-I229 HydrophobicContact CD1-CD1 3.59Å; I211-I229 HydrophobicContact CD1-CG1 4.12Å; W225-I229 HydrophobicContact CE3-CG1 3.86Å; W225-I229 HydrophobicContact CZ3-CG1 4.16Å; W225-I229 WeakPolarHBondContact O-CG1 3.32Å; W225-I229 PolarHBondContact O-N 3.24Å; Q226-I229 PolarHBondContact O-N 3.04Å; I229-H231 VanDerWaalsContact C-N 3.35Å; I229-H231 PolarHBondContact O-N 3.23Å; I229-N232 PolarHBondContact O-N 2.92Å; I229-L233 HydrophobicContact CG2-CD1 4.01Å; I229-L233 WeakPolarHBondContact O-CG 3.46Å; I229-L233 PolarHBondContact O-N 2.98Å; I229-L233 VanDerWaalsContact O-N 3.08Å |
| 230 | R | 97.5 | Very high | 94.3 | Very high | 79 Ų | 79 | 66.9 Ų | 66.9 | 30% | 0.298 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -57.6 | -44.6 | 175.6 | -69.6 | -177.2 | -60.7 | -104.4 | 14.5 | 112.1 | L204 Y208 Q226 N227 S234 | L204-R230 HydrophobicContact CD1-CG 4.2Å; L204-R230 HydrophobicContact CD2-CG 4.17Å; Y208-R230 WeakPolarHBondContact OH-CG 3.44Å; Y208-R230 PolarHBondContact OH-NH1 3.24Å; Q226-R230 WeakPolarHBondContact O-CG 3.01Å; Q226-R230 PolarHBondContact O-N 3.11Å; N227-R230 PolarHBondContact O-N 3.34Å; N227-R230 PolarHBondContact OD1-NE 3.16Å; N227-R230 PolarHBondContact OD1-NH2 3.44Å; R230-S234 PolarHBondContact O-N 2.99Å; R230-S234 PolarHBondContact O-OG 3.41Å |
| 231 | H | 96.8 | Very high | 94.6 | Very high | 88 Ų | 88 | 66.6 Ų | 66.6 | 41% | 0.407 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -66.9 | -36.7 | 177.3 | 108.8 | 57.6 | 0 | 0 | 0 | 112.4 | N227 S228 I229 S234 L235 | N227-H231 PolarHBondContact O-N 3.12Å; S228-H231 PolarHBondContact O-CD2 3.44Å; S228-H231 PolarHBondContact O-N 3.33Å; I229-H231 VanDerWaalsContact C-N 3.35Å; I229-H231 PolarHBondContact O-N 3.23Å; H231-S234 PolarHBondContact O-N 3.14Å; H231-S234 PolarHBondContact O-OG 3.02Å; H231-L235 WeakPolarHBondContact O-CB 3.44Å; H231-L235 PolarHBondContact O-N 3.47Å |
| 232 | N | 96.2 | Very high | 94.9 | Very high | 12 Ų | 12 | 62.5 Ų | 62.5 | 6% | 0.064 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -72.2 | -32.3 | -177.3 | -84.6 | -81.1 | 0 | 0 | 0 | 112 | N187 I190 S228 I229 N236 | N187-N232 PolarHBondContact ND2-OD1 3.11Å; N187-N232 WeakPolarHBondContact OD1-CB 3.21Å; N187-N232 PolarHBondContact OD1-OD1 2.85Å; N187-N232 VanDerWaalsContact OD1-OD1 3.13Å; I190-N232 HydrophobicContact CD1-CB 3.81Å; S228-N232 WeakPolarHBondContact O-CB 3.45Å; S228-N232 PolarHBondContact O-N 3.43Å; S228-N232 PolarHBondContact O-ND2 3.32Å; I229-N232 PolarHBondContact O-N 2.92Å; N232-N236 WeakPolarHBondContact O-CB 3.28Å; N232-N236 PolarHBondContact O-N 2.94Å; N232-N236 PolarHBondContact O-ND2 3.27Å; N232-N236 PolarHBondContact OD1-ND2 2.98Å |
| 233 | L | 95.8 | Very high | 95.1 | Very high | 3 Ų | 3 | 62.2 Ų | 62.2 | 2% | 0.016 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -65 | -35.6 | 174 | -72.2 | 167.7 | 0 | 0 | 0 | 113.1 | I190 L204 I207 I229 F239 W255 | I190-L233 HydrophobicContact CD1-CD2 4.19Å; I190-L233 HydrophobicContact CD1-CG 4.09Å; I190-L233 HydrophobicContact CG2-CD2 3.63Å; L204-L233 HydrophobicContact CD1-CD1 3.54Å; I207-L233 HydrophobicContact CD1-CD1 4.18Å; I207-L233 HydrophobicContact CD1-CD2 4.16Å; I229-L233 HydrophobicContact CG2-CD1 4.01Å; I229-L233 WeakPolarHBondContact O-CG 3.46Å; I229-L233 PolarHBondContact O-N 2.98Å; I229-L233 VanDerWaalsContact O-N 3.08Å; L233-F239 HydrophobicContact CD2-CB 4.02Å; L233-F239 HydrophobicContact CD2-CD2 4.17Å; L233-F239 HydrophobicContact CD2-CG 4.07Å; L233-W255 HydrophobicContact CB-CD2 4.28Å; L233-W255 HydrophobicContact CB-CE3 4.15Å; L233-W255 HydrophobicContact CB-CH2 3.82Å; L233-W255 HydrophobicContact CB-CZ2 3.97Å; L233-W255 HydrophobicContact CB-CZ3 3.92Å; L233-W255 HydrophobicContact CD1-CD2 4.29Å; L233-W255 HydrophobicContact CD1-CG 4.43Å; L233-W255 HydrophobicContact CD1-CZ2 4.45Å; L233-W255 HydrophobicContact CD2-CB 4.31Å; L233-W255 HydrophobicContact CD2-CD2 3.84Å; L233-W255 HydrophobicContact CD2-CE3 3.93Å; L233-W255 HydrophobicContact CD2-CG 4Å; L233-W255 HydrophobicContact CG-CD2 4.37Å; L233-W255 VanDerWaalsContact O-CZ3 3.27Å; L233-W255 WeakPolarHBondContact O-CZ3 3.46Å |
| 234 | S | 94.3 | Very high | 95.1 | Very high | 97 Ų | 97 | 58.7 Ų | 58.7 | 68% | 0.678 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -85.9 | -28.8 | 176.8 | 56.3 | 0 | 0 | 0 | 0 | 114.2 | R230 H231 | R230-S234 PolarHBondContact O-N 2.99Å; R230-S234 PolarHBondContact O-OG 3.41Å; H231-S234 PolarHBondContact O-N 3.14Å; H231-S234 PolarHBondContact O-OG 3.02Å |
| 235 | L | 92.9 | Very high | 95 | Very high | 113 Ų | 113 | 62 Ų | 62 | 59% | 0.592 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -77.2 | -40.3 | -177.9 | -172 | 158.1 | 0 | 0 | 0 | 112.8 | H231 | H231-L235 WeakPolarHBondContact O-CB 3.44Å; H231-L235 PolarHBondContact O-N 3.47Å |
| 236 | N | 91.9 | Very high | 94.7 | Very high | 42 Ų | 42 | 71.8 Ų | 71.8 | 23% | 0.225 | 35% | 0.354 | C | S | . | . | trans | -97.4 | 113.1 | -168.1 | -63.9 | -91.4 | 0 | 0 | 0 | 111.8 | N187 N232 C238 F239 | N187-N236 PolarHBondContact OD1-ND2 3.01Å; N232-N236 WeakPolarHBondContact O-CB 3.28Å; N232-N236 PolarHBondContact O-N 2.94Å; N232-N236 PolarHBondContact O-ND2 3.27Å; N232-N236 PolarHBondContact OD1-ND2 2.98Å; N236-C238 PolarHBondContact O-N 3.44Å; N236-F239 HydrophobicContact CB-CD2 4.02Å; N236-F239 HydrophobicContact CB-CE2 4.13Å; N236-F239 PolarHBondContact O-N 2.97Å | ||
| 237 | K | 92.2 | Very high | 94.5 | Very high | 191 Ų | 191 | 76.4 Ų | 76.4 | 83% | 0.83 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -11.1 | 177.3 | -63.5 | -173.9 | 179.6 | -175.9 | 0 | 115.8 | F239 | K237-F239 VanDerWaalsContact C-N 3.27Š|
| 238 | C | 92.4 | Very high | 94 | Very high | 22 Ų | 22 | 75.1 Ų | 75.1 | 15% | 0.149 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -22.2 | 173.6 | -58 | 0 | 0 | 0 | 0 | 112.4 | N236 L257 D258 | N236-C238 PolarHBondContact O-N 3.44Å; C238-L257 HydrophobicContact CB-CD1 4.33Å; C238-L257 WeakPolarHBondContact O-CA 3.35Å; C238-D258 PolarHBondContact O-N 2.78Å |
| 239 | F | 95.2 | Very high | 93.6 | Very high | 10 Ų | 10 | 80.5 Ų | 80.5 | 4% | 0.044 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 113.8 | 180 | -51.7 | -52.2 | 0 | 0 | 0 | 110 | N187 I190 M191 I194 L233 N236 K237 W255 M256 L257 | N187-F239 HydrophobicContact CB-CE2 4.41Å; N187-F239 HydrophobicContact CB-CZ 4.43Å; N187-F239 WeakPolarHBondContact OD1-CE2 3.49Å; I190-F239 HydrophobicContact CB-CE1 4.11Å; I190-F239 HydrophobicContact CB-CE2 4.1Å; I190-F239 HydrophobicContact CB-CZ 3.73Å; I190-F239 HydrophobicContact CD1-CE2 4.05Å; I190-F239 HydrophobicContact CG2-CD1 3.74Å; I190-F239 HydrophobicContact CG2-CD2 4.1Å; I190-F239 HydrophobicContact CG2-CE1 3.47Å; I190-F239 VanDerWaalsContact CG2-CE1 3.47Å; I190-F239 HydrophobicContact CG2-CE2 3.84Å; I190-F239 HydrophobicContact CG2-CG 4.06Å; I190-F239 HydrophobicContact CG2-CZ 3.53Å; M191-F239 HydrophobicContact CB-CE1 4.41Å; I194-F239 HydrophobicContact CD1-CD1 3.99Å; I194-F239 HydrophobicContact CD1-CE1 4.42Å; L233-F239 HydrophobicContact CD2-CB 4.02Å; L233-F239 HydrophobicContact CD2-CD2 4.17Å; L233-F239 HydrophobicContact CD2-CG 4.07Å; N236-F239 HydrophobicContact CB-CD2 4.02Å; N236-F239 HydrophobicContact CB-CE2 4.13Å; N236-F239 PolarHBondContact O-N 2.97Å; K237-F239 VanDerWaalsContact C-N 3.27Å; F239-W255 HydrophobicContact CB-CE3 4.19Å; F239-M256 WeakPolarHBondContact CA-O 3.2Å; F239-L257 HydrophobicContact CD1-CD1 4.24Å; F239-L257 HydrophobicContact CE1-CD1 4.08Å |
| 240 | V | 95.8 | Very high | 93.3 | Very high | 56 Ų | 56 | 82.3 Ų | 82.3 | 34% | 0.339 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 131.7 | -179.8 | -63.8 | 0 | 0 | 0 | 0 | 110.3 | V242 W255 M256 D258 | V240-V242 HydrophobicContact CG2-CG2 4.12Å; V240-W255 WeakPolarHBondContact O-CA 3.29Å; V240-M256 HydrophobicContact CG2-CB 3.86Å; V240-M256 PolarHBondContact N-O 3.44Å; V240-M256 PolarHBondContact O-N 3.32Å; V240-D258 HydrophobicContact CG1-CB 4.1Å |
| 241 | K | 96.7 | Very high | 93 | Very high | 128 Ų | 128 | 88.3 Ų | 88.3 | 56% | 0.557 | 45% | 0.454 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 111.2 | 177.4 | -171.7 | -166.8 | 73.5 | 179 | 0 | 109.1 | N253 W255 | K241-N253 HydrophobicContact CD-CB 4.15Å; K241-N253 HydrophobicContact CG-CB 3.61Å; K241-W255 HydrophobicContact CB-CE3 4.08Å; K241-W255 HydrophobicContact CB-CH2 3.91Å; K241-W255 HydrophobicContact CB-CZ2 4.38Å; K241-W255 HydrophobicContact CB-CZ3 3.74Å; K241-W255 HydrophobicContact CG-CH2 4.18Å; K241-W255 HydrophobicContact CG-CZ2 4.19Å; K241-W255 HydrophobicContact CG-CZ3 4.42Å |
| 242 | V | 95.1 | Very high | 92.8 | Very high | 47 Ų | 47 | 86.5 Ų | 86.5 | 29% | 0.285 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 125 | -176.6 | -177.3 | 0 | 0 | 0 | 0 | 109.4 | V240 Y254 M256 | V240-V242 HydrophobicContact CG2-CG2 4.12Å; V242-Y254 PolarHBondContact N-O 2.96Å; V242-Y254 PolarHBondContact O-N 2.77Å; V242-M256 HydrophobicContact CB-SD 4.3Å; V242-M256 HydrophobicContact CG1-SD 4.32Å; V242-M256 HydrophobicContact CG2-CB 4.1Å; V242-M256 HydrophobicContact CG2-CG 4Å; V242-M256 HydrophobicContact CG2-SD 3.78Å |
| 243 | P | 94.9 | Very high | 92.8 | Very high | 95 Ų | 95 | 88.7 Ų | 88.7 | 62% | 0.617 | 47% | 0.471 | S | S | * | . | P | Polyproline II helix | trans | -56.6 | 158.8 | 172.5 | -25.2 | 35.4 | 0 | 0 | 0 | 112.5 | ||
| 244 | R | 94.2 | Very high | 92.8 | Very high | 56 Ų | 56 | 89.8 Ų | 89.8 | 21% | 0.211 | 48% | 0.475 | C | S | . | . | P | Polyproline II helix | trans | -77.3 | 160.6 | 169.7 | -65.7 | -174.3 | 173.9 | -91.4 | 4.5 | 110.7 | D248 G250 K251 G252 Y254 | R244-D248 WeakPolarHBondContact CD-O 3.4Å; R244-G250 WeakPolarHBondContact CD-O 3.45Å; R244-G250 VanDerWaalsContact NE-C 3.3Å; R244-G250 PolarHBondContact NE-O 2.68Å; R244-K251 PolarHBondContact NH2-O 3.11Å; R244-G252 WeakPolarHBondContact CD-O 3.48Å; R244-G252 PolarHBondContact NE-O 3.18Å; R244-Y254 HydrophobicContact CB-CE2 4.47Å; R244-Y254 HydrophobicContact CG-CD2 3.98Å; R244-Y254 HydrophobicContact CG-CE2 3.86Å; R244-Y254 PolarHBondContact NH1-OH 3.05Å |
| 245 | H | 91.8 | Very high | 93 | Very high | 109 Ų | 109 | 87 Ų | 87 | 51% | 0.505 | 45% | 0.45 | S | S | . | . | P | Polyproline II helix | trans | -70.8 | 156 | 163.3 | -154 | -113.9 | 0 | 0 | 0 | 110 | D247 D248 | H245-D247 IonicContact CE1-OD2 3.05Å; H245-D247 PolarHBondContact CE1-OD2 3.3Å; H245-D247 IonicContact ND1-OD2 3.44Å; H245-D247 PolarHBondContact ND1-OD2 2.86Å; H245-D247 PolarHBondContact O-N 2.9Å; H245-D248 PolarHBondContact O-N 2.87Å |
| 246 | Y | 89.3 | Confident | 93.1 | Very high | 219 Ų | 219 | 84.4 Ų | 84.4 | 86% | 0.859 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -27.1 | -179.4 | -59.8 | -73.3 | 0 | 0 | 0 | 112.3 | D248 | Y246-D248 VanDerWaalsContact C-N 3.27Å; Y246-D248 PolarHBondContact O-N 3.15Å |
| 247 | D | 91.2 | Very high | 93.2 | Very high | 127 Ų | 127 | 83.1 Ų | 83.1 | 68% | 0.679 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -10 | 176.9 | -41.4 | -37.9 | 0 | 0 | 0 | 113.4 | H245 P249 | H245-D247 IonicContact CE1-OD2 3.05Å; H245-D247 PolarHBondContact CE1-OD2 3.3Å; H245-D247 IonicContact ND1-OD2 3.44Å; H245-D247 PolarHBondContact ND1-OD2 2.86Å; H245-D247 PolarHBondContact O-N 2.9Å; D247-P249 WeakPolarHBondContact O-CD 3.43Å |
| 248 | D | 86.8 | Confident | 93.3 | Very high | 66 Ų | 66 | 75.5 Ų | 75.5 | 35% | 0.353 | 40% | 0.397 | S | S | . | . | trans | -105.7 | 76 | 179.9 | -77.3 | -46 | 0 | 0 | 0 | 111.1 | R244 H245 Y246 G250 | R244-D248 WeakPolarHBondContact CD-O 3.4Å; H245-D248 PolarHBondContact O-N 2.87Å; Y246-D248 VanDerWaalsContact C-N 3.27Å; Y246-D248 PolarHBondContact O-N 3.15Å; D248-G250 VanDerWaalsContact C-N 3.31Å; D248-G250 PolarHBondContact O-N 3.4Å | ||
| 249 | P | 87.4 | Confident | 93.2 | Very high | 131 Ų | 131 | 79.4 Ų | 79.4 | 85% | 0.851 | 42% | 0.422 | S | S | * | . | trans | -69.3 | 82.5 | -179.9 | 29.7 | -36.5 | 0 | 0 | 0 | 111.7 | D247 | D247-P249 WeakPolarHBondContact O-CD 3.43Š| ||
| 250 | G | 90.5 | Very high | 92.8 | Very high | 38 Ų | 38 | 83 Ų | 83 | 39% | 0.392 | 45% | 0.448 | S | S | . | . | trans | -130.1 | 150.6 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | R244 D248 G252 | R244-G250 WeakPolarHBondContact CD-O 3.45Å; R244-G250 VanDerWaalsContact NE-C 3.3Å; R244-G250 PolarHBondContact NE-O 2.68Å; D248-G250 VanDerWaalsContact C-N 3.31Å; D248-G250 PolarHBondContact O-N 3.4Å; G250-G252 PolarHBondContact O-N 2.67Å | ||
| 251 | K | 91.4 | Very high | 92.2 | Very high | 205 Ų | 205 | 80.3 Ų | 80.3 | 89% | 0.891 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -66.3 | 132.6 | 179.6 | -168.5 | 170 | -176.2 | 171.9 | 0 | 111.6 | R244 | R244-K251 PolarHBondContact NH2-O 3.11Š|
| 252 | G | 93.3 | Very high | 91.3 | Very high | 49 Ų | 49 | 78.2 Ų | 78.2 | 51% | 0.505 | 43% | 0.427 | S | S | . | . | S | Bend | trans | 71.1 | -171.4 | 174 | 0 | 0 | 0 | 0 | 0 | 115 | R244 G250 | R244-G252 WeakPolarHBondContact CD-O 3.48Å; R244-G252 PolarHBondContact NE-O 3.18Å; G250-G252 PolarHBondContact O-N 2.67Å |
| 253 | N | 95.7 | Very high | 90.6 | Very high | 59 Ų | 59 | 80.4 Ų | 80.4 | 32% | 0.316 | 44% | 0.437 | S | S | . | . | trans | -101.3 | 162.3 | -179.1 | -67.3 | -110.3 | 0 | 0 | 0 | 110.7 | K241 | K241-N253 HydrophobicContact CD-CB 4.15Å; K241-N253 HydrophobicContact CG-CB 3.61Å | ||
| 254 | Y | 96.5 | Very high | 90 | Very high | 25 Ų | 25 | 76.1 Ų | 76.1 | 10% | 0.098 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 149.6 | 161.9 | -72.3 | -76.2 | 0 | 0 | 0 | 110.2 | R201 T203 V242 R244 | R201-Y254 HydrophobicContact CB-CD1 4.07Å; R201-Y254 HydrophobicContact CB-CG 4.4Å; R201-Y254 HydrophobicContact CG-CD1 3.72Å; R201-Y254 HydrophobicContact CG-CE1 4.04Å; R201-Y254 HydrophobicContact CG-CG 4.27Å; T203-Y254 HydrophobicContact CG2-CD1 4.12Å; T203-Y254 HydrophobicContact CG2-CE1 3.99Å; V242-Y254 PolarHBondContact N-O 2.96Å; V242-Y254 PolarHBondContact O-N 2.77Å; R244-Y254 HydrophobicContact CB-CE2 4.47Å; R244-Y254 HydrophobicContact CG-CD2 3.98Å; R244-Y254 HydrophobicContact CG-CE2 3.86Å; R244-Y254 PolarHBondContact NH1-OH 3.05Å |
| 255 | W | 97.1 | Very high | 89.4 | Confident | 39 Ų | 39 | 76 Ų | 76 | 15% | 0.148 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 126.7 | 168.1 | -66.5 | 94.2 | 0 | 0 | 0 | 108.4 | I194 R201 L202 I207 L233 F239 V240 K241 | I194-W255 HydrophobicContact CD1-CB 4.32Å; R201-W255 WeakPolarHBondContact CA-O 3.29Å; L202-W255 PolarHBondContact N-O 3.07Å; L202-W255 PolarHBondContact O-N 2.96Å; I207-W255 HydrophobicContact CD1-CB 4.32Å; L233-W255 HydrophobicContact CB-CD2 4.28Å; L233-W255 HydrophobicContact CB-CE3 4.15Å; L233-W255 HydrophobicContact CB-CH2 3.82Å; L233-W255 HydrophobicContact CB-CZ2 3.97Å; L233-W255 HydrophobicContact CB-CZ3 3.92Å; L233-W255 HydrophobicContact CD1-CD2 4.29Å; L233-W255 HydrophobicContact CD1-CG 4.43Å; L233-W255 HydrophobicContact CD1-CZ2 4.45Å; L233-W255 HydrophobicContact CD2-CB 4.31Å; L233-W255 HydrophobicContact CD2-CD2 3.84Å; L233-W255 HydrophobicContact CD2-CE3 3.93Å; L233-W255 HydrophobicContact CD2-CG 4Å; L233-W255 HydrophobicContact CG-CD2 4.37Å; L233-W255 VanDerWaalsContact O-CZ3 3.27Å; L233-W255 WeakPolarHBondContact O-CZ3 3.46Å; F239-W255 HydrophobicContact CB-CE3 4.19Å; V240-W255 WeakPolarHBondContact O-CA 3.29Å; K241-W255 HydrophobicContact CB-CE3 4.08Å; K241-W255 HydrophobicContact CB-CH2 3.91Å; K241-W255 HydrophobicContact CB-CZ2 4.38Å; K241-W255 HydrophobicContact CB-CZ3 3.74Å; K241-W255 HydrophobicContact CG-CH2 4.18Å; K241-W255 HydrophobicContact CG-CZ2 4.19Å; K241-W255 HydrophobicContact CG-CZ3 4.42Å |
| 256 | M | 95.8 | Very high | 89.1 | Confident | 58 Ų | 58 | 73 Ų | 73 | 29% | 0.286 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 162.9 | 177.1 | -70.1 | -179.7 | 70.5 | 0 | 0 | 109.9 | R201 F239 V240 V242 | R201-M256 HydrophobicContact CB-CE 4.5Å; R201-M256 HydrophobicContact CB-CG 3.36Å; R201-M256 HydrophobicContact CB-SD 3.84Å; F239-M256 WeakPolarHBondContact CA-O 3.2Å; V240-M256 HydrophobicContact CG2-CB 3.86Å; V240-M256 PolarHBondContact N-O 3.44Å; V240-M256 PolarHBondContact O-N 3.32Å; V242-M256 HydrophobicContact CB-SD 4.3Å; V242-M256 HydrophobicContact CG1-SD 4.32Å; V242-M256 HydrophobicContact CG2-CB 4.1Å; V242-M256 HydrophobicContact CG2-CG 4Å; V242-M256 HydrophobicContact CG2-SD 3.78Å |
| 257 | L | 94.6 | Very high | 88.7 | Confident | 15 Ų | 15 | 62.9 Ų | 62.9 | 8% | 0.079 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 133.2 | 170 | -168.2 | 64.4 | 0 | 0 | 0 | 108.5 | M191 I194 R195 C238 F239 S261 D262 | M191-L257 HydrophobicContact CE-CD1 3.58Å; M191-L257 HydrophobicContact CE-CD2 3.92Å; M191-L257 HydrophobicContact CE-CG 4.41Å; M191-L257 HydrophobicContact CG-CD2 4.5Å; I194-L257 HydrophobicContact CG2-CB 4.23Å; R195-L257 HydrophobicContact CG-CD2 4.35Å; C238-L257 HydrophobicContact CB-CD1 4.33Å; C238-L257 WeakPolarHBondContact O-CA 3.35Å; F239-L257 HydrophobicContact CD1-CD1 4.24Å; F239-L257 HydrophobicContact CE1-CD1 4.08Å; L257-S261 WeakPolarHBondContact CD1-OG 3.22Å; L257-S261 WeakPolarHBondContact CG-OG 3.38Å; L257-D262 VanDerWaalsContact CD2-OD1 3.29Å; L257-D262 WeakPolarHBondContact CD2-OD1 3.26Å |
| 258 | D | 94.1 | Very high | 87.8 | Confident | 32 Ų | 32 | 60.8 Ų | 60.8 | 17% | 0.171 | 37% | 0.368 | C | S | . | . | trans | -60.3 | 127.1 | 169.5 | 159.5 | 32 | 0 | 0 | 0 | 108.8 | C238 V240 S260 S261 | C238-D258 PolarHBondContact O-N 2.78Å; V240-D258 HydrophobicContact CG1-CB 4.1Å; D258-S260 PolarHBondContact O-N 2.72Å; D258-S260 VanDerWaalsContact O-N 3.15Å; D258-S260 VanDerWaalsContact OD1-CB 3.26Å; D258-S260 WeakPolarHBondContact OD1-CB 3.38Å; D258-S260 PolarHBondContact OD1-N 3.25Å; D258-S260 PolarHBondContact OD1-OG 2.97Å; D258-S260 WeakPolarHBondContact OD2-CB 3.31Å; D258-S260 PolarHBondContact OD2-OG 2.72Å; D258-S261 CarbonylContact O-C 3.59Å; D258-S261 VanDerWaalsContact O-CA 3.31Å; D258-S261 WeakPolarHBondContact O-CA 3.44Å; D258-S261 WeakPolarHBondContact O-CB 3.23Å; D258-S261 PolarHBondContact O-N 2.95Å; D258-S261 PolarHBondContact O-OG 3.22Å | ||
| 259 | P | 90.2 | Very high | 86.9 | Confident | 104 Ų | 104 | 64.5 Ų | 64.5 | 68% | 0.675 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | -54.3 | -32.1 | 175.8 | -27.8 | 36 | 0 | 0 | 0 | 113.3 | S261 D262 | P259-S261 PolarHBondContact O-N 3.43Å; P259-S261 VanDerWaalsContact O-N 3.07Å; P259-D262 PolarHBondContact O-N 2.87Å; P259-D262 VanDerWaalsContact O-N 3.11Å |
| 260 | S | 86.2 | Confident | 86.1 | Confident | 85 Ų | 85 | 62.3 Ų | 62.3 | 59% | 0.594 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -68.7 | -2 | 173.6 | -21.7 | 0 | 0 | 0 | 0 | 113.6 | D258 R275 | D258-S260 PolarHBondContact O-N 2.72Å; D258-S260 VanDerWaalsContact O-N 3.15Å; D258-S260 VanDerWaalsContact OD1-CB 3.26Å; D258-S260 WeakPolarHBondContact OD1-CB 3.38Å; D258-S260 PolarHBondContact OD1-N 3.25Å; D258-S260 PolarHBondContact OD1-OG 2.97Å; D258-S260 WeakPolarHBondContact OD2-CB 3.31Å; D258-S260 PolarHBondContact OD2-OG 2.72Å; S260-R275 PolarHBondContact O-NH2 3.34Å |
| 261 | S | 82.6 | Confident | 85.4 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -117.8 | 5.7 | 175.3 | 76.2 | 0 | 0 | 0 | 0 | 113.7 | L257 D258 P259 V264 | L257-S261 WeakPolarHBondContact CD1-OG 3.22Å; L257-S261 WeakPolarHBondContact CG-OG 3.38Å; D258-S261 CarbonylContact O-C 3.59Å; D258-S261 VanDerWaalsContact O-CA 3.31Å; D258-S261 WeakPolarHBondContact O-CA 3.44Å; D258-S261 WeakPolarHBondContact O-CB 3.23Å; D258-S261 PolarHBondContact O-N 2.95Å; D258-S261 PolarHBondContact O-OG 3.22Å; P259-S261 PolarHBondContact O-N 3.43Å; P259-S261 VanDerWaalsContact O-N 3.07Å; S261-V264 WeakPolarHBondContact O-CB 3.44Å; S261-V264 VanDerWaalsContact O-CG2 3.22Å; S261-V264 WeakPolarHBondContact O-CG2 3.45Å; S261-V264 PolarHBondContact O-N 3.47Å |
| 262 | D | 78.9 | Confident | 85 | Confident | 84 Ų | 84 | 57.7 Ų | 57.7 | 45% | 0.449 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -28.2 | 175.4 | -97.4 | -50.2 | 0 | 0 | 0 | 113.5 | R195 L257 P259 V264 | R195-D262 IonicContact CZ-OD1 3.56Å; R195-D262 IonicContact NE-OD1 3.5Å; R195-D262 VanDerWaalsContact NH2-CA 3.27Å; R195-D262 PolarHBondContact NH2-O 3.48Å; R195-D262 IonicContact NH2-OD1 2.72Å; R195-D262 PolarHBondContact NH2-OD1 2.77Å; L257-D262 VanDerWaalsContact CD2-OD1 3.29Å; L257-D262 WeakPolarHBondContact CD2-OD1 3.26Å; P259-D262 PolarHBondContact O-N 2.87Å; P259-D262 VanDerWaalsContact O-N 3.11Å; D262-V264 PolarHBondContact O-N 2.89Å |
| 263 | D | 80.9 | Confident | 84.3 | Confident | 93 Ų | 93 | 57.9 Ų | 57.9 | 50% | 0.497 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -4.5 | 168.9 | -100.3 | -31.4 | 0 | 0 | 0 | 114.1 | R276 | D263-R276 WeakPolarHBondContact O-CB 3.4Å; D263-R276 PolarHBondContact O-N 3.27Å |
| 264 | V | 81 | Confident | 83.7 | Confident | 4 Ų | 4 | 62.5 Ų | 62.5 | 2% | 0.024 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 130.2 | -175.2 | -160.9 | 0 | 0 | 0 | 0 | 109.4 | M191 R195 S261 D262 L273 R274 R275 | M191-V264 HydrophobicContact CE-CB 4.32Å; R195-V264 PolarHBondContact NH1-O 3.08Å; R195-V264 PolarHBondContact NH2-O 3.13Å; S261-V264 WeakPolarHBondContact O-CB 3.44Å; S261-V264 VanDerWaalsContact O-CG2 3.22Å; S261-V264 WeakPolarHBondContact O-CG2 3.45Å; S261-V264 PolarHBondContact O-N 3.47Å; D262-V264 PolarHBondContact O-N 2.89Å; V264-L273 HydrophobicContact CB-CD1 4.23Å; V264-L273 HydrophobicContact CG1-CD1 3.47Å; V264-L273 VanDerWaalsContact CG1-CD1 3.47Å; V264-L273 HydrophobicContact CG1-CD2 4.08Å; V264-L273 HydrophobicContact CG1-CG 3.43Å; V264-L273 VanDerWaalsContact CG1-CG 3.43Å; V264-R274 WeakPolarHBondContact CA-O 3.48Å; V264-R274 WeakPolarHBondContact CG1-O 3.2Å; V264-R275 HydrophobicContact CG1-CG 4.02Å; V264-R275 HydrophobicContact CG2-CB 4.38Å; V264-R275 HydrophobicContact CG2-CG 3.74Å |
| 265 | F | 82.9 | Confident | 82.9 | Confident | 55 Ų | 55 | 68.4 Ų | 68.4 | 24% | 0.241 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 154.2 | -172.3 | 62.5 | -85.4 | 0 | 0 | 0 | 111.6 | G267 R274 R276 | F265-G267 PolarHBondContact O-N 2.95Å; F265-R274 VanDerWaalsContact CD1-O 3.25Å; F265-R274 WeakPolarHBondContact CD1-O 3.46Å; F265-R274 HydrophobicContact CE2-CB 4.45Å; F265-R274 HydrophobicContact CZ-CB 4.33Å; F265-R274 PolarHBondContact N-O 3.33Å; F265-R274 PolarHBondContact O-N 3.14Å; F265-R276 HydrophobicContact CD1-CB 4.23Å; F265-R276 HydrophobicContact CE1-CB 3.97Å |
| 266 | I | 84.6 | Confident | 81.8 | Confident | 44 Ų | 44 | 73.5 Ų | 73.5 | 23% | 0.226 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 118.8 | 175 | -55.9 | 173.3 | 0 | 0 | 0 | 107.3 | F184 A188 M191 M192 G268 | F184-I266 HydrophobicContact CD1-CG2 3.88Å; F184-I266 HydrophobicContact CE1-CG2 3.81Å; A188-I266 HydrophobicContact CB-CD1 4.09Å; A188-I266 HydrophobicContact CB-CG1 3.97Å; A188-I266 HydrophobicContact CB-CG2 4Å; A188-I266 WeakPolarHBondContact O-CD1 3.48Å; M191-I266 HydrophobicContact SD-CG1 4.46Å; M192-I266 HydrophobicContact CB-CD1 4.08Å; M192-I266 HydrophobicContact CE-CD1 3.99Å; I266-G268 PolarHBondContact O-N 2.91Å |
| 267 | G | 80.2 | Confident | 80.4 | Confident | 8 Ų | 8 | 74 Ų | 74 | 8% | 0.082 | 40% | 0.4 | C | S | . | . | trans | -70.7 | 108.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | F265 T269 T270 G271 K272 | F265-G267 PolarHBondContact O-N 2.95Å; G267-T269 PolarHBondContact O-N 2.77Å; G267-T269 VanDerWaalsContact O-N 3.08Å; G267-T270 PolarHBondContact O-N 2.82Å; G267-G271 PolarHBondContact O-N 3.35Å; G267-K272 PolarHBondContact N-O 3.33Å | ||
| 268 | G | 72.8 | Confident | 78.8 | Confident | 83 Ų | 83 | 77.8 Ų | 77.8 | 86% | 0.856 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -27.2 | -171.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | I266 | I266-G268 PolarHBondContact O-N 2.91Š|
| 269 | T | 67.9 | Low | 77.3 | Confident | 144 Ų | 144 | 80.3 Ų | 80.3 | 88% | 0.883 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | -1.9 | 177.3 | 55.9 | 0 | 0 | 0 | 0 | 114.4 | G267 | G267-T269 PolarHBondContact O-N 2.77Å; G267-T269 VanDerWaalsContact O-N 3.08Å |
| 270 | T | 70.7 | Confident | 75.7 | Confident | 85 Ų | 85 | 79 Ų | 79 | 52% | 0.521 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -136 | -15.9 | -169.2 | -29.4 | 0 | 0 | 0 | 0 | 114.5 | G267 K272 | G267-T270 PolarHBondContact O-N 2.82Å; T270-K272 HydrophobicContact CG2-CB 4.22Å; T270-K272 HydrophobicContact CG2-CD 4.09Å; T270-K272 HydrophobicContact CG2-CG 4.25Å; T270-K272 PolarHBondContact O-N 2.65Å |
| 271 | G | 76 | Confident | 74.2 | Confident | 4 Ų | 4 | 85.9 Ų | 85.9 | 4% | 0.041 | 45% | 0.447 | C | S | . | . | S | Bend | trans | 66.3 | -1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | P183 S185 A188 G267 | P183-G271 WeakPolarHBondContact O-CA 3.13Å; S185-G271 PolarHBondContact N-O 3.23Å; S185-G271 PolarHBondContact OG-O 3.43Å; A188-G271 WeakPolarHBondContact CB-O 3.23Å; G267-G271 PolarHBondContact O-N 3.35Å |
| 272 | K | 82.3 | Confident | 73 | Confident | 142 Ų | 142 | 88.8 Ų | 88.8 | 62% | 0.617 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -98.1 | 149.7 | -178 | -72.1 | -179.5 | -178.6 | 175.3 | 0 | 109.8 | G267 T270 | G267-K272 PolarHBondContact N-O 3.33Å; T270-K272 HydrophobicContact CG2-CB 4.22Å; T270-K272 HydrophobicContact CG2-CD 4.09Å; T270-K272 HydrophobicContact CG2-CG 4.25Å; T270-K272 PolarHBondContact O-N 2.65Å |
| 273 | L | 80.1 | Confident | 71.9 | Confident | 52 Ų | 52 | 93.1 Ų | 93.1 | 27% | 0.272 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 126.8 | -176.9 | -175 | 61.1 | 0 | 0 | 0 | 110.4 | N187 M191 V264 | N187-L273 HydrophobicContact CB-CD2 4.45Å; M191-L273 HydrophobicContact CE-CD1 3.6Å; M191-L273 HydrophobicContact CE-CD2 4.15Å; M191-L273 HydrophobicContact SD-CD1 3.37Å; M191-L273 WeakPolarHBondContact SD-CD1 3.27Å; V264-L273 HydrophobicContact CB-CD1 4.23Å; V264-L273 HydrophobicContact CG1-CD1 3.47Å; V264-L273 VanDerWaalsContact CG1-CD1 3.47Å; V264-L273 HydrophobicContact CG1-CD2 4.08Å; V264-L273 HydrophobicContact CG1-CG 3.43Å; V264-L273 VanDerWaalsContact CG1-CG 3.43Å |
| 274 | R | 82 | Confident | 70.7 | Confident | 157 Ų | 157 | 95 Ų | 95 | 59% | 0.592 | 50% | 0.496 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 130.6 | -174.7 | -160.6 | 173.4 | 94.8 | 89.5 | -8.1 | 111.9 | V264 F265 | V264-R274 WeakPolarHBondContact CA-O 3.48Å; V264-R274 WeakPolarHBondContact CG1-O 3.2Å; F265-R274 VanDerWaalsContact CD1-O 3.25Å; F265-R274 WeakPolarHBondContact CD1-O 3.46Å; F265-R274 HydrophobicContact CE2-CB 4.45Å; F265-R274 HydrophobicContact CZ-CB 4.33Å; F265-R274 PolarHBondContact N-O 3.33Å; F265-R274 PolarHBondContact O-N 3.14Å |
| 275 | R | 80.8 | Confident | 69.6 | Low | 148 Ų | 148 | 98 Ų | 98 | 56% | 0.558 | 52% | 0.521 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 137.8 | 175.4 | -60.3 | -148.7 | 148.3 | -163.1 | -13.5 | 110.9 | S260 V264 S277 | S260-R275 PolarHBondContact O-NH2 3.34Å; V264-R275 HydrophobicContact CG1-CG 4.02Å; V264-R275 HydrophobicContact CG2-CB 4.38Å; V264-R275 HydrophobicContact CG2-CG 3.74Å; R275-S277 PolarHBondContact O-N 3.12Å |
| 276 | R | 73.2 | Confident | 68.3 | Low | 147 Ų | 147 | 104.7 Ų | 104.7 | 56% | 0.555 | 55% | 0.55 | S | S | * | . | trans | -76.2 | 100.3 | 167 | -169.5 | 177.2 | -60 | -90.4 | -2.4 | 109 | D263 F265 T278 | D263-R276 WeakPolarHBondContact O-CB 3.4Å; D263-R276 PolarHBondContact O-N 3.27Å; F265-R276 HydrophobicContact CD1-CB 4.23Å; F265-R276 HydrophobicContact CE1-CB 3.97Å; R276-T278 PolarHBondContact O-N 3.47Å | ||
| 277 | S | 65.8 | Low | 66.7 | Low | 67 Ų | 67 | 111.8 Ų | 111.8 | 47% | 0.469 | 58% | 0.579 | S | S | . | * | trans | -70.8 | 101.9 | 176.6 | -175.8 | 0 | 0 | 0 | 0 | 110.5 | R275 T279 S280 | R275-S277 PolarHBondContact O-N 3.12Å; S277-T279 VanDerWaalsContact C-N 3.31Å; S277-S280 WeakPolarHBondContact CB-OG 3Å; S277-S280 PolarHBondContact O-OG 2.8Å; S277-S280 VanDerWaalsContact O-OG 3.11Å; S277-S280 PolarHBondContact OG-N 3.36Å; S277-S280 PolarHBondContact OG-OG 3.04Å | ||
| 278 | T | 62.6 | Low | 65.2 | Low | 96 Ų | 96 | 122 Ų | 122 | 59% | 0.589 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -66 | -38.1 | 170.5 | 55.5 | 0 | 0 | 0 | 0 | 110.7 | R276 S280 | R276-T278 PolarHBondContact O-N 3.47Å; T278-S280 VanDerWaalsContact C-N 3.35Å; T278-S280 PolarHBondContact O-N 3.09Å |
| 279 | T | 61.2 | Low | 63.9 | Low | 85 Ų | 85 | 122 Ų | 122 | 52% | 0.521 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -63.9 | -31.4 | -175.9 | -38.3 | 0 | 0 | 0 | 0 | 114 | S277 R281 A282 K283 | S277-T279 VanDerWaalsContact C-N 3.31Å; T279-R281 VanDerWaalsContact C-N 3.28Å; T279-R281 PolarHBondContact O-N 3.19Å; T279-A282 PolarHBondContact O-N 3.18Å; T279-K283 PolarHBondContact O-N 3.16Å; T279-K283 VanDerWaalsContact O-N 3.12Å |
| 280 | S | 56.3 | Low | 63 | Low | 75 Ų | 75 | 119.9 Ų | 119.9 | 52% | 0.524 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -69.5 | -18.7 | -173.3 | 47.7 | 0 | 0 | 0 | 0 | 115 | S277 T278 | S277-S280 WeakPolarHBondContact CB-OG 3Å; S277-S280 PolarHBondContact O-OG 2.8Å; S277-S280 VanDerWaalsContact O-OG 3.11Å; S277-S280 PolarHBondContact OG-N 3.36Å; S277-S280 PolarHBondContact OG-OG 3.04Å; T278-S280 VanDerWaalsContact C-N 3.35Å; T278-S280 PolarHBondContact O-N 3.09Å |
| 281 | R | 55.4 | Low | 61.8 | Low | 230 Ų | 230 | 126.1 Ų | 126.1 | 87% | 0.868 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -80.1 | -44.9 | 172.5 | -116 | -179 | -177.2 | 164.4 | 0.8 | 111.8 | T279 K283 | T279-R281 VanDerWaalsContact C-N 3.28Å; T279-R281 PolarHBondContact O-N 3.19Å; R281-K283 PolarHBondContact O-N 2.77Å |
| 282 | A | 56.5 | Low | 60.6 | Low | 62 Ų | 62 | 134 Ų | 134 | 51% | 0.512 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -64.6 | -40.8 | -180 | 0 | 0 | 0 | 0 | 0 | 112.6 | T279 L284 A285 | T279-A282 PolarHBondContact O-N 3.18Å; A282-L284 VanDerWaalsContact C-N 3.25Å; A282-L284 PolarHBondContact O-N 3.18Å; A282-A285 PolarHBondContact O-N 3Å |
| 283 | K | 56.5 | Low | 59 | Low | 175 Ų | 175 | 134.1 Ų | 134.1 | 76% | 0.761 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.4 | -0.1 | -172.4 | -137.7 | 165.2 | -172.3 | 172 | 0 | 115.2 | T279 R281 | T279-K283 PolarHBondContact O-N 3.16Å; T279-K283 VanDerWaalsContact O-N 3.12Å; R281-K283 PolarHBondContact O-N 2.77Å |
| 284 | L | 56.5 | Low | 57.2 | Low | 132 Ų | 132 | 137.3 Ų | 137.3 | 69% | 0.691 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.6 | -13.5 | 176 | -153.1 | 71 | 0 | 0 | 0 | 113.5 | A282 | A282-L284 VanDerWaalsContact C-N 3.25Å; A282-L284 PolarHBondContact O-N 3.18Å |
| 285 | A | 57.5 | Low | 55.4 | Low | 67 Ų | 67 | 136.9 Ų | 136.9 | 55% | 0.554 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -76.6 | -36.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | A282 K287 | A282-A285 PolarHBondContact O-N 3Å; A285-K287 VanDerWaalsContact C-N 3.29Å; A285-K287 PolarHBondContact O-N 3.44Å |
| 286 | F | 55.2 | Low | 53.6 | Low | 195 Ų | 195 | 133.2 Ų | 133.2 | 86% | 0.855 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -84.1 | 13.6 | -170.9 | -66.6 | -82.1 | 0 | 0 | 0 | 115.4 | ||
| 287 | K | 51 | Low | 52.3 | Low | 194 Ų | 194 | 133.8 Ų | 133.8 | 84% | 0.843 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -117.5 | 35 | 178.1 | -154.3 | 179.4 | 176.4 | -178.8 | 0 | 113.2 | A285 | A285-K287 VanDerWaalsContact C-N 3.29Å; A285-K287 PolarHBondContact O-N 3.44Å |
| 288 | R | 49.5 | Very low | 51.3 | Low | 222 Ų | 222 | 135.9 Ų | 135.9 | 84% | 0.838 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -145.4 | 90.2 | 169.6 | -80.2 | -175.7 | 162.6 | 90.8 | -4.3 | 109 | ||
| 289 | G | 45.8 | Very low | 50.3 | Low | 84 Ų | 84 | 141.4 Ų | 141.4 | 87% | 0.866 | 77% | 0.769 | S | S | * | * | S | Bend | trans | 177.5 | 4.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||
| 290 | A | 47.8 | Very low | 49.5 | Very low | 98 Ų | 98 | 145.9 Ų | 145.9 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | trans | -155.6 | 89.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 291 | R | 46.6 | Very low | 48.8 | Very low | 217 Ų | 217 | 149.1 Ų | 149.1 | 82% | 0.819 | 80% | 0.798 | S | S | * | * | trans | -160.2 | 103.7 | 151 | -73.5 | -153.1 | -177.3 | -141.3 | -3.4 | 110.2 | ||||
| 292 | L | 49.5 | Very low | 48.3 | Very low | 168 Ų | 168 | 148.3 Ų | 148.3 | 88% | 0.88 | 80% | 0.795 | S | S | * | * | trans | -142.5 | 157.7 | 160.6 | -73.5 | 179.3 | 0 | 0 | 0 | 107.9 | ||||
| 293 | T | 49.6 | Very low | 47.6 | Very low | 146 Ų | 146 | 150 Ų | 150 | 90% | 0.896 | 81% | 0.808 | S | S | * | * | trans | 65 | 131.7 | -175.8 | 77.8 | 0 | 0 | 0 | 0 | 117 | ||||
| 294 | S | 42.2 | Very low | 46.7 | Very low | 118 Ų | 118 | 145.6 Ų | 145.6 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | trans | -175.3 | 106.7 | 171.8 | 169.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 295 | T | 44.6 | Very low | 46.1 | Very low | 148 Ų | 148 | 144.6 Ų | 144.6 | 91% | 0.908 | 82% | 0.817 | S | S | * | * | trans | -157 | 126.7 | 177.6 | 2.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 296 | G | 42.1 | Very low | 45.5 | Very low | 71 Ų | 71 | 149.8 Ų | 149.8 | 73% | 0.732 | 83% | 0.834 | S | S | * | * | trans | 114.3 | 126.7 | 157.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 297 | L | 45.9 | Very low | 45.2 | Very low | 160 Ų | 160 | 149.4 Ų | 149.4 | 84% | 0.838 | 83% | 0.829 | S | S | * | * | trans | 60.4 | 103.3 | 146.6 | -52.2 | 175.6 | 0 | 0 | 0 | 117.8 | ||||
| 298 | T | 44.4 | Very low | 45.3 | Very low | 111 Ų | 111 | 150.9 Ų | 150.9 | 68% | 0.681 | 83% | 0.829 | S | S | * | * | 60.1 | 108.3 | 75.4 | 68.2 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 299 | F | 42.9 | Very low | 45.5 | Very low | 212 Ų | 212 | 145.4 Ų | 145.4 | 93% | 0.93 | 82% | 0.823 | S | S | * | * | -171.5 | 171.4 | 120.6 | -108.4 | -75.8 | 0 | 0 | 0 | 109 | |||||
| 300 | M | 43.6 | Very low | 45.3 | Very low | 179 Ų | 179 | 149.5 Ų | 149.5 | 88% | 0.882 | 82% | 0.821 | S | S | * | * | trans | -107.8 | 142 | -173.8 | -45.8 | -170.3 | 83.7 | 0 | 0 | 111.5 | ||||
| 301 | D | 42.8 | Very low | 45.6 | Very low | 143 Ų | 143 | 149.7 Ų | 149.7 | 77% | 0.765 | 82% | 0.817 | S | S | * | * | -152.7 | 150.6 | 126.3 | -154.8 | 27.9 | 0 | 0 | 0 | 114.6 | |||||
| 302 | R | 43.7 | Very low | 45.8 | Very low | 213 Ų | 213 | 144.8 Ų | 144.8 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | -2.3 | 146 | 153.3 | -159.5 | -179.1 | -151.8 | 106.2 | -2.2 | 121.4 | ||||
| 303 | A | 41.1 | Very low | 45.7 | Very low | 96 Ų | 96 | 144.8 Ų | 144.8 | 79% | 0.793 | 81% | 0.806 | S | S | * | * | trans | 72.6 | 114.8 | 155.7 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 304 | G | 38.2 | Very low | 45.7 | Very low | 84 Ų | 84 | 146.6 Ų | 146.6 | 87% | 0.866 | 81% | 0.809 | S | S | * | * | trans | 77.8 | 69 | 132.9 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 305 | S | 44.1 | Very low | 45.7 | Very low | 111 Ų | 111 | 146.3 Ų | 146.3 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | trans | -148.7 | 132.1 | 157.6 | -168.3 | 0 | 0 | 0 | 0 | 113.2 | Y307 | S305-Y307 PolarHBondContact O-N 2.78Å; S305-Y307 VanDerWaalsContact O-N 3.16Å | ||
| 306 | L | 45 | Very low | 46.2 | Very low | 175 Ų | 175 | 146.8 Ų | 146.8 | 92% | 0.916 | 80% | 0.803 | S | S | * | * | trans | -82.9 | 80.6 | 175.2 | -79.7 | 161.1 | 0 | 0 | 0 | 110 | ||||
| 307 | Y | 49.4 | Very low | 46.5 | Very low | 187 Ų | 187 | 151.2 Ų | 151.2 | 73% | 0.733 | 81% | 0.805 | S | S | * | * | trans | -120 | 113.4 | 177.7 | -174.5 | -103.8 | 0 | 0 | 0 | 111.2 | S305 | S305-Y307 PolarHBondContact O-N 2.78Å; S305-Y307 VanDerWaalsContact O-N 3.16Å | ||
| 308 | W | 53.2 | Low | 46.7 | Very low | 225 Ų | 225 | 151.5 Ų | 151.5 | 85% | 0.852 | 80% | 0.801 | S | S | * | * | trans | -71.3 | 133 | 179.6 | -72.7 | 94.5 | 0 | 0 | 0 | 111.3 | M310 | W308-M310 PolarHBondContact O-N 3.39Š| ||
| 309 | P | 52.3 | Low | 47 | Very low | 108 Ų | 108 | 151.8 Ų | 151.8 | 70% | 0.701 | 81% | 0.805 | S | S | * | * | trans | -72.1 | 129.6 | -172.1 | 28.2 | -34.8 | 0 | 0 | 0 | 112.5 | ||||
| 310 | M | 43.1 | Very low | 47 | Very low | 170 Ų | 170 | 152.5 Ų | 152.5 | 84% | 0.837 | 80% | 0.802 | S | S | * | * | trans | -101.9 | 98.3 | 172 | -111.4 | -79.6 | 170 | 0 | 0 | 109.4 | W308 | W308-M310 PolarHBondContact O-N 3.39Š| ||
| 311 | S | 53.8 | Low | 47 | Very low | 102 Ų | 102 | 148.9 Ų | 148.9 | 71% | 0.713 | 80% | 0.8 | S | S | * | * | trans | -66 | 138.6 | -178.5 | -55.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 312 | P | 50.8 | Low | 47 | Very low | 114 Ų | 114 | 146.2 Ų | 146.2 | 74% | 0.74 | 79% | 0.793 | S | S | * | * | trans | -82.9 | 141.2 | -176.9 | 32.4 | -34.8 | 0 | 0 | 0 | 113.8 | ||||
| 313 | F | 46.9 | Very low | 47.2 | Very low | 168 Ų | 168 | 141 Ų | 141 | 74% | 0.737 | 79% | 0.789 | S | S | * | * | trans | 13.2 | 113.9 | 152.9 | -62.7 | -90.9 | 0 | 0 | 0 | 119.6 | ||||
| 314 | L | 50.6 | Low | 47.5 | Very low | 183 Ų | 183 | 142.2 Ų | 142.2 | 96% | 0.958 | 79% | 0.787 | S | S | * | * | trans | -96.2 | 121.2 | 147.2 | -75.4 | 171.1 | 0 | 0 | 0 | 109.2 | ||||
| 315 | S | 41 | Very low | 47.9 | Very low | 113 Ų | 113 | 145.7 Ų | 145.7 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | trans | -94.9 | 119.3 | 178.5 | -63.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 316 | L | 54.9 | Low | 47.7 | Very low | 157 Ų | 157 | 145.3 Ų | 145.3 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | trans | -104.8 | 103.2 | 174.4 | -167 | 56.7 | 0 | 0 | 0 | 112.9 | H318 | L316-H318 PolarHBondContact O-ND1 3.08Š| ||
| 317 | H | 48.9 | Very low | 47.5 | Very low | 164 Ų | 164 | 146.8 Ų | 146.8 | 76% | 0.759 | 78% | 0.777 | S | S | * | * | trans | -34 | 140.1 | 169 | -151 | -123.5 | 0 | 0 | 0 | 115 | ||||
| 318 | H | 49.9 | Very low | 47.1 | Very low | 167 Ų | 167 | 144.2 Ų | 144.2 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | trans | -128.7 | 126.7 | 166.2 | -81.7 | 60.2 | 0 | 0 | 0 | 109 | L316 | L316-H318 PolarHBondContact O-ND1 3.08Š| ||
| 319 | P | 51.9 | Low | 46.5 | Very low | 117 Ų | 117 | 136.2 Ų | 136.2 | 76% | 0.76 | 76% | 0.763 | S | S | * | * | trans | -86.7 | 119.3 | -169.4 | 31.7 | -34.1 | 0 | 0 | 0 | 114.8 | ||||
| 320 | R | 41.5 | Very low | 46.4 | Very low | 226 Ų | 226 | 137.2 Ų | 137.2 | 85% | 0.853 | 77% | 0.768 | S | S | * | * | trans | 1.1 | 120.8 | 144 | -178.5 | -169.7 | -177 | 109.9 | -4 | 118.7 | ||||
| 321 | A | 45.1 | Very low | 46.6 | Very low | 103 Ų | 103 | 135.8 Ų | 135.8 | 85% | 0.851 | 77% | 0.769 | S | S | * | * | trans | -160.8 | 155 | 134.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 322 | S | 42.1 | Very low | 46.1 | Very low | 87 Ų | 87 | 136.4 Ų | 136.4 | 61% | 0.608 | 77% | 0.773 | S | S | * | * | 178.3 | 81.7 | -51.1 | -108.2 | 0 | 0 | 0 | 0 | 107.4 | |||||
| 323 | S | 47.6 | Very low | 45.8 | Very low | 104 Ų | 104 | 134.6 Ų | 134.6 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | trans | -165 | 129.9 | 160.7 | 41.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 324 | T | 47 | Very low | 45.8 | Very low | 122 Ų | 122 | 137.7 Ų | 137.7 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | cis | 69.1 | 117.8 | 42.4 | 71.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 325 | L | 46.2 | Very low | 45.5 | Very low | 156 Ų | 156 | 134.1 Ų | 134.1 | 82% | 0.817 | 76% | 0.764 | S | S | * | * | cis | -155.7 | 169.8 | 12.3 | -99.5 | 145.2 | 0 | 0 | 0 | 111.3 | ||||
| 326 | S | 41.3 | Very low | 45.6 | Very low | 104 Ų | 104 | 134.1 Ų | 134.1 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | trans | 43.5 | 124.3 | 155.4 | 53.4 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 327 | Y | 40.4 | Very low | 45.2 | Very low | 205 Ų | 205 | 135.1 Ų | 135.1 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | cis | 89.3 | 133.2 | 47.1 | -172.1 | -96.6 | 0 | 0 | 0 | 115 | ||||
| 328 | N | 40.9 | Very low | 45.2 | Very low | 134 Ų | 134 | 132.6 Ų | 132.6 | 72% | 0.717 | 76% | 0.762 | S | S | * | * | trans | 62.6 | 145 | -173.1 | -87.6 | -1.5 | 0 | 0 | 0 | 117.4 | ||||
| 329 | G | 41.4 | Very low | 45.1 | Very low | 56 Ų | 56 | 133.4 Ų | 133.4 | 58% | 0.577 | 77% | 0.768 | S | S | * | * | cis | 174.9 | 144.4 | -10.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 330 | T | 49.6 | Very low | 45 | Very low | 130 Ų | 130 | 133.8 Ų | 133.8 | 80% | 0.798 | 77% | 0.771 | S | S | * | * | trans | 63.7 | 137.3 | 155.1 | 58.4 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 331 | T | 47.3 | Very low | 44.9 | Very low | 140 Ų | 140 | 134 Ų | 134 | 86% | 0.859 | 77% | 0.773 | S | S | * | * | trans | 64.7 | 154.7 | 163.8 | 64.5 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 332 | S | 43.7 | Very low | 44.6 | Very low | 115 Ų | 115 | 134.2 Ų | 134.2 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | cis | -164.7 | 174.9 | -31.3 | -170 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 333 | A | 43 | Very low | 44.4 | Very low | 76 Ų | 76 | 135.3 Ų | 135.3 | 63% | 0.628 | 78% | 0.777 | S | S | * | * | trans | 72.6 | 99.1 | 159.2 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 334 | Y | 47.9 | Very low | 44.8 | Very low | 232 Ų | 232 | 137.2 Ų | 137.2 | 91% | 0.91 | 78% | 0.783 | S | S | * | * | trans | 66 | 149.5 | 138.6 | -72 | -82.5 | 0 | 0 | 0 | 122.4 | ||||
| 335 | P | 43.2 | Very low | 44.7 | Very low | 108 Ų | 108 | 138.9 Ų | 138.9 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | trans | -104.1 | 159.2 | -173.2 | 40.2 | -32.9 | 0 | 0 | 0 | 114 | ||||
| 336 | S | 43.6 | Very low | 44.4 | Very low | 114 Ų | 114 | 136.8 Ų | 136.8 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | trans | -139.4 | 144.6 | 162.9 | 54.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 337 | H | 45.9 | Very low | 44.4 | Very low | 177 Ų | 177 | 140 Ų | 140 | 82% | 0.819 | 78% | 0.784 | S | S | * | * | trans | -90.4 | 155.3 | 177.2 | -45.4 | -71 | 0 | 0 | 0 | 110.1 | ||||
| 338 | P | 50 | Low | 44.1 | Very low | 112 Ų | 112 | 136.9 Ų | 136.9 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | -142.6 | 153.7 | 125.7 | 36.2 | -23.4 | 0 | 0 | 0 | 115.5 | |||||
| 339 | M | 48.1 | Very low | 44.1 | Very low | 183 Ų | 183 | 135.9 Ų | 135.9 | 90% | 0.901 | 79% | 0.785 | S | S | * | * | trans | -125.6 | 151.5 | 146.2 | -75.1 | -76.3 | 156.2 | 0 | 0 | 105.8 | ||||
| 340 | P | 48.8 | Very low | 44.1 | Very low | 126 Ų | 126 | 141.3 Ų | 141.3 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | -144.1 | 174.6 | 113.1 | 36.7 | -22 | 0 | 0 | 0 | 114.8 | |||||
| 341 | Y | 39.4 | Very low | 43.6 | Very low | 230 Ų | 230 | 138.9 Ų | 138.9 | 90% | 0.902 | 80% | 0.801 | S | S | * | * | trans | -75.3 | 166.1 | 178.2 | -130.9 | -108.2 | 0 | 0 | 0 | 112.6 | ||||
| 342 | S | 39.9 | Very low | 43.1 | Very low | 108 Ų | 108 | 138.8 Ų | 138.8 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | trans | -125.7 | 140.2 | 166.8 | -177.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 343 | S | 38.1 | Very low | 42.9 | Very low | 110 Ų | 110 | 138.8 Ų | 138.8 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | trans | -164.5 | 114 | 169.8 | -176 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 344 | V | 54.9 | Low | 42.7 | Very low | 144 Ų | 144 | 142.1 Ų | 142.1 | 87% | 0.873 | 79% | 0.788 | S | S | * | * | trans | -145.9 | 157.5 | 161.8 | -77.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 345 | L | 44.4 | Very low | 42.2 | Very low | 157 Ų | 157 | 135 Ų | 135 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | trans | -141.3 | 158 | -162 | -146.1 | 169.4 | 0 | 0 | 0 | 110 | ||||
| 346 | T | 40.9 | Very low | 41.9 | Very low | 112 Ų | 112 | 138.9 Ų | 138.9 | 69% | 0.687 | 78% | 0.779 | S | S | * | * | trans | 95.6 | 147.4 | 154 | -19.8 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 347 | Q | 40.9 | Very low | 41.4 | Very low | 170 Ų | 170 | 137.8 Ų | 137.8 | 79% | 0.794 | 77% | 0.771 | S | S | * | * | trans | 78.6 | 97.7 | 150.9 | -130.8 | 159 | -22.7 | 0 | 0 | 117 | ||||
| 348 | N | 35.4 | Very low | 41.1 | Very low | 140 Ų | 140 | 136 Ų | 136 | 75% | 0.749 | 77% | 0.773 | S | S | * | * | 80.9 | 103.6 | 59.9 | -179.5 | 65.1 | 0 | 0 | 0 | 114.9 | |||||
| 349 | S | 40.6 | Very low | 40.8 | Very low | 114 Ų | 114 | 134.2 Ų | 134.2 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | trans | -165.3 | 164.7 | 148.4 | 49.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 350 | L | 40.9 | Very low | 40.3 | Very low | 169 Ų | 169 | 133.7 Ų | 133.7 | 89% | 0.885 | 77% | 0.768 | S | S | * | * | trans | -90 | 149.2 | -171.8 | -67.5 | 67.2 | 0 | 0 | 0 | 111.4 | ||||
| 351 | G | 38.9 | Very low | 39.7 | Very low | 79 Ų | 79 | 131.4 Ų | 131.4 | 81% | 0.814 | 77% | 0.767 | S | S | * | * | trans | 176.3 | 84.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 352 | N | 37.4 | Very low | 39.7 | Very low | 139 Ų | 139 | 128.7 Ų | 128.7 | 74% | 0.743 | 77% | 0.767 | S | S | * | * | trans | -75.8 | 126.3 | 173.7 | 171.7 | 64.2 | 0 | 0 | 0 | 111.3 | ||||
| 353 | N | 39.3 | Very low | 39.7 | Very low | 114 Ų | 114 | 128.3 Ų | 128.3 | 61% | 0.61 | 77% | 0.765 | S | S | * | * | trans | -178.3 | 121.6 | 131.6 | -98.6 | -46.3 | 0 | 0 | 0 | 115.1 | ||||
| 354 | H | 37.8 | Very low | 39.9 | Very low | 147 Ų | 147 | 130 Ų | 130 | 68% | 0.681 | 77% | 0.77 | S | S | * | * | trans | 30.6 | 142.7 | 147.4 | 60.8 | -111.4 | 0 | 0 | 0 | 125.2 | ||||
| 355 | S | 37.5 | Very low | 39.2 | Very low | 81 Ų | 81 | 129.7 Ų | 129.7 | 57% | 0.566 | 76% | 0.763 | S | S | * | * | trans | 99.9 | 100.4 | 142.2 | -64.1 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 356 | F | 37 | Very low | 39 | Very low | 191 Ų | 191 | 133 Ų | 133 | 84% | 0.838 | 77% | 0.765 | S | S | * | * | trans | 66.9 | 145 | 151.1 | -47.5 | -57.3 | 0 | 0 | 0 | 118.4 | ||||
| 357 | S | 33.9 | Very low | 39 | Very low | 90 Ų | 90 | 136.6 Ų | 136.6 | 63% | 0.629 | 78% | 0.779 | S | S | * | * | cis | -165.2 | 156 | -12.6 | -105.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 358 | T | 38.5 | Very low | 39.1 | Very low | 141 Ų | 141 | 134.2 Ų | 134.2 | 87% | 0.865 | 78% | 0.776 | S | S | * | * | trans | 60.4 | 147.6 | 162 | 50.3 | 0 | 0 | 0 | 0 | 119 | ||||
| 359 | A | 43.7 | Very low | 39.3 | Very low | 73 Ų | 73 | 134.2 Ų | 134.2 | 60% | 0.603 | 78% | 0.776 | S | S | * | * | cis | -166.8 | 166.2 | -18.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 360 | N | 38.9 | Very low | 39.2 | Very low | 172 Ų | 172 | 132.4 Ų | 132.4 | 92% | 0.92 | 78% | 0.775 | S | S | * | * | trans | 70.8 | 143.3 | 163.4 | -53.6 | -24.8 | 0 | 0 | 0 | 118.3 | ||||
| 361 | G | 35.7 | Very low | 39.1 | Very low | 78 Ų | 78 | 131.1 Ų | 131.1 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | trans | 142.2 | 17.5 | 166.9 | 0 | 0 | 0 | 0 | 0 | 118.9 | S363 | G361-S363 PolarHBondContact O-N 3.33Š| ||
| 362 | L | 40 | Very low | 39.3 | Very low | 173 Ų | 173 | 135 Ų | 135 | 91% | 0.906 | 77% | 0.765 | S | S | * | * | trans | -44.9 | 127.5 | -173.7 | -63.6 | 168.8 | 0 | 0 | 0 | 115.2 | ||||
| 363 | S | 39.1 | Very low | 39.7 | Very low | 101 Ų | 101 | 133.1 Ų | 133.1 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | trans | -94.2 | 140.6 | 160.3 | -168.7 | 0 | 0 | 0 | 0 | 110.2 | G361 D365 | G361-S363 PolarHBondContact O-N 3.33Å; S363-D365 PolarHBondContact O-N 2.86Å | ||
| 364 | V | 43 | Very low | 39.5 | Very low | 145 Ų | 145 | 138.6 Ų | 138.6 | 88% | 0.879 | 77% | 0.774 | S | S | * | * | trans | -99.3 | 77.1 | -177.5 | -75.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 365 | D | 38.6 | Very low | 39.5 | Very low | 137 Ų | 137 | 135.6 Ų | 135.6 | 73% | 0.733 | 78% | 0.775 | S | S | * | * | trans | -115.7 | 143.2 | 170.2 | -99.6 | -66.9 | 0 | 0 | 0 | 111 | S363 | S363-D365 PolarHBondContact O-N 2.86Š| ||
| 366 | R | 40.7 | Very low | 39.5 | Very low | 227 Ų | 227 | 137.5 Ų | 137.5 | 86% | 0.857 | 78% | 0.783 | S | S | * | * | trans | 64.4 | 86.3 | 172.4 | -60.1 | 176.6 | 171.1 | 160.9 | -2.4 | 117.5 | ||||
| 367 | L | 41.3 | Very low | 39.8 | Very low | 187 Ų | 187 | 137.5 Ų | 137.5 | 98% | 0.979 | 79% | 0.786 | S | S | * | * | -116.9 | 107.9 | 128.9 | -88.9 | 91.4 | 0 | 0 | 0 | 109.6 | |||||
| 368 | V | 42 | Very low | 40.1 | Very low | 121 Ų | 121 | 140.8 Ų | 140.8 | 73% | 0.733 | 79% | 0.791 | S | S | * | * | trans | -153.7 | 146.4 | 163.9 | 69.9 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 369 | N | 40.5 | Very low | 40 | Very low | 140 Ų | 140 | 141.3 Ų | 141.3 | 75% | 0.749 | 79% | 0.788 | S | S | * | * | trans | 67 | 146.3 | -165.2 | -61.5 | 81.8 | 0 | 0 | 0 | 114 | ||||
| 370 | G | 39 | Very low | 39.9 | Very low | 76 Ų | 76 | 144.7 Ų | 144.7 | 78% | 0.784 | 80% | 0.801 | S | S | * | * | trans | 135 | 58.9 | -166.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 371 | E | 37.9 | Very low | 39.8 | Very low | 141 Ų | 141 | 141.1 Ų | 141.1 | 66% | 0.659 | 80% | 0.795 | S | S | * | * | trans | -76.4 | 137.9 | -168.2 | 30.1 | -92.5 | 68.8 | 0 | 0 | 117.5 | ||||
| 372 | I | 44.2 | Very low | 40.1 | Very low | 161 Ų | 161 | 142.5 Ų | 142.5 | 83% | 0.826 | 80% | 0.799 | S | S | * | * | trans | 79.5 | 146 | 142 | -69 | 169.9 | 0 | 0 | 0 | 118.5 | ||||
| 373 | P | 44 | Very low | 40.2 | Very low | 100 Ų | 100 | 138.6 Ų | 138.6 | 65% | 0.649 | 79% | 0.792 | S | S | * | * | trans | -118.7 | 177.8 | -159.1 | 43.2 | -30.8 | 0 | 0 | 0 | 115.1 | ||||
| 374 | Y | 35.2 | Very low | 40.5 | Very low | 228 Ų | 228 | 142.6 Ų | 142.6 | 89% | 0.894 | 80% | 0.804 | S | S | * | * | trans | 178.3 | 157.6 | 132 | -100.9 | -67.6 | 0 | 0 | 0 | 111.9 | ||||
| 375 | A | 39.5 | Very low | 40.3 | Very low | 85 Ų | 85 | 140.6 Ų | 140.6 | 70% | 0.702 | 80% | 0.803 | S | S | * | * | trans | 55.7 | 116.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 376 | T | 36.3 | Very low | 40.5 | Very low | 120 Ų | 120 | 138.4 Ų | 138.4 | 74% | 0.736 | 80% | 0.804 | S | S | * | * | 58.9 | 99.2 | 66.5 | -52.7 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 377 | H | 43.3 | Very low | 40.6 | Very low | 191 Ų | 191 | 132.4 Ų | 132.4 | 88% | 0.884 | 80% | 0.797 | S | S | * | * | trans | -161.4 | 163.4 | 138 | -100.9 | -63.9 | 0 | 0 | 0 | 111.6 | ||||
| 378 | H | 40.5 | Very low | 40.8 | Very low | 159 Ų | 159 | 129.9 Ų | 129.9 | 74% | 0.736 | 79% | 0.789 | S | S | * | * | trans | -90.8 | 162 | -160.1 | -91.9 | -118.1 | 0 | 0 | 0 | 115.5 | ||||
| 379 | L | 37.2 | Very low | 41 | Very low | 153 Ų | 153 | 129.3 Ų | 129.3 | 80% | 0.801 | 79% | 0.787 | S | S | * | * | trans | 62.9 | 117.5 | 149.8 | -69.7 | 159.5 | 0 | 0 | 0 | 119.2 | ||||
| 380 | T | 40.6 | Very low | 41 | Very low | 144 Ų | 144 | 128.6 Ų | 128.6 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | -160.7 | 135 | 110 | -76.1 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 381 | A | 36.4 | Very low | 40.9 | Very low | 96 Ų | 96 | 128.6 Ų | 128.6 | 79% | 0.793 | 79% | 0.792 | S | S | * | * | trans | -116.9 | 137.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 382 | A | 43 | Very low | 41.1 | Very low | 107 Ų | 107 | 130.6 Ų | 130.6 | 88% | 0.884 | 81% | 0.806 | S | S | * | * | trans | -134.2 | 121.2 | 166.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 383 | A | 41.3 | Very low | 40.9 | Very low | 92 Ų | 92 | 127.4 Ų | 127.4 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | trans | -109.3 | 144.2 | -173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 384 | L | 45.9 | Very low | 40.7 | Very low | 184 Ų | 184 | 128.7 Ų | 128.7 | 96% | 0.963 | 80% | 0.804 | S | S | * | * | trans | -128.7 | 135.3 | 153.6 | -70.8 | 177.5 | 0 | 0 | 0 | 107.3 | ||||
| 385 | A | 38.8 | Very low | 40.9 | Very low | 104 Ų | 104 | 123.7 Ų | 123.7 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | trans | -123.9 | 144.2 | -163.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 386 | A | 42.5 | Very low | 40.6 | Very low | 91 Ų | 91 | 125.5 Ų | 125.5 | 75% | 0.752 | 81% | 0.806 | S | S | * | * | trans | -153 | 105.5 | 163.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 387 | S | 42.5 | Very low | 40.7 | Very low | 100 Ų | 100 | 126 Ų | 126 | 70% | 0.699 | 81% | 0.814 | S | S | * | * | trans | 28.7 | 104.3 | 149 | 53.3 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 388 | V | 47.3 | Very low | 40.3 | Very low | 134 Ų | 134 | 119.8 Ų | 119.8 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | 69.3 | 149.7 | 66.7 | -55.4 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 389 | P | 45.8 | Very low | 39.9 | Very low | 109 Ų | 109 | 119.1 Ų | 119.1 | 71% | 0.708 | 81% | 0.809 | S | S | * | * | cis | -137.5 | -146.3 | -42 | 39 | -19.7 | 0 | 0 | 0 | 111.5 | ||||
| 390 | C | 39.7 | Very low | 40 | Very low | 126 Ų | 126 | 122.3 Ų | 122.3 | 85% | 0.851 | 81% | 0.812 | S | S | * | * | trans | 72.7 | 119.1 | 174.8 | -58 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 391 | G | 38.1 | Very low | 39.7 | Very low | 75 Ų | 75 | 120.4 Ų | 120.4 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | cis | 123.9 | 109.3 | -8.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 392 | L | 41.6 | Very low | 39.9 | Very low | 183 Ų | 183 | 123.6 Ų | 123.6 | 96% | 0.958 | 81% | 0.807 | S | S | * | * | trans | -162.6 | 157.3 | 152.6 | -109.2 | 173.1 | 0 | 0 | 0 | 108.6 | ||||
| 393 | S | 39.8 | Very low | 39.6 | Very low | 94 Ų | 94 | 124.6 Ų | 124.6 | 66% | 0.657 | 80% | 0.798 | S | S | * | * | trans | -120.2 | 149.3 | -160.7 | 57.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 394 | V | 39.7 | Very low | 39.6 | Very low | 128 Ų | 128 | 126 Ų | 126 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | 36.7 | 120.8 | 126.2 | -175.2 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 395 | P | 39.5 | Very low | 39 | Very low | 122 Ų | 122 | 123.3 Ų | 123.3 | 79% | 0.792 | 80% | 0.795 | S | S | * | * | -143.4 | 164 | 68.4 | 39.2 | -22.1 | 0 | 0 | 0 | 118.4 | |||||
| 396 | C | 32.4 | Very low | 39.1 | Very low | 124 Ų | 124 | 123.5 Ų | 123.5 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | trans | -83.1 | 131.5 | 171.1 | -58.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 397 | S | 39.4 | Very low | 38.9 | Very low | 129 Ų | 129 | 125.4 Ų | 125.4 | 90% | 0.902 | 79% | 0.792 | S | S | * | * | trans | -167.1 | 153.5 | 158.6 | -77.6 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 398 | G | 34.9 | Very low | 38.7 | Very low | 62 Ų | 62 | 128 Ų | 128 | 64% | 0.639 | 80% | 0.798 | S | S | * | * | cis | 155 | 90.6 | 9 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 399 | T | 32.6 | Very low | 38.8 | Very low | 144 Ų | 144 | 128.6 Ų | 128.6 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | trans | 36.2 | 108.2 | 166.7 | 55.3 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 400 | Y | 38 | Very low | 38.7 | Very low | 220 Ų | 220 | 131 Ų | 131 | 86% | 0.863 | 80% | 0.801 | S | S | * | * | -153.5 | 141.4 | 127.5 | 52.8 | -89.4 | 0 | 0 | 0 | 112.7 | |||||
| 401 | S | 35.3 | Very low | 38.7 | Very low | 105 Ų | 105 | 129.8 Ų | 129.8 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | trans | -86.9 | 145.6 | 164.3 | 173.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 402 | L | 39.9 | Very low | 38.8 | Very low | 162 Ų | 162 | 129.5 Ų | 129.5 | 85% | 0.848 | 80% | 0.798 | S | S | * | * | trans | -157.3 | 153.4 | 148.1 | -110.3 | 176.8 | 0 | 0 | 0 | 111.6 | ||||
| 403 | N | 36.8 | Very low | 38.5 | Very low | 128 Ų | 128 | 129.9 Ų | 129.9 | 68% | 0.684 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 159.1 | -176.7 | -83.8 | -78.7 | 0 | 0 | 0 | 112.4 | C405 | N403-C405 PolarHBondContact O-N 3.39Š|
| 404 | P | 41.5 | Very low | 38.3 | Very low | 123 Ų | 123 | 131.7 Ų | 131.7 | 80% | 0.799 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 122.7 | 177.1 | 26.6 | -34.9 | 0 | 0 | 0 | 111.6 | S406 | P404-S406 PolarHBondContact O-N 2.87Š|
| 405 | C | 34 | Very low | 38.4 | Very low | 127 Ų | 127 | 129.8 Ų | 129.8 | 86% | 0.858 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 129.4 | -178.2 | -62 | 0 | 0 | 0 | 0 | 112.6 | N403 V407 | N403-C405 PolarHBondContact O-N 3.39Å; C405-V407 PolarHBondContact O-N 3.17Å |
| 406 | S | 39 | Very low | 38.6 | Very low | 107 Ų | 107 | 133.7 Ų | 133.7 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 123.2 | 167.6 | 51.1 | 0 | 0 | 0 | 0 | 110.9 | P404 N408 | P404-S406 PolarHBondContact O-N 2.87Å; S406-N408 PolarHBondContact O-N 3.44Å |
| 407 | V | 40.1 | Very low | 38.9 | Very low | 132 Ų | 132 | 136.2 Ų | 136.2 | 80% | 0.8 | 79% | 0.792 | S | S | * | * | trans | -79.2 | 108 | 172 | -120.3 | 0 | 0 | 0 | 0 | 110.1 | C405 | C405-V407 PolarHBondContact O-N 3.17Š| ||
| 408 | N | 38.2 | Very low | 39.2 | Very low | 155 Ų | 155 | 138.1 Ų | 138.1 | 83% | 0.829 | 78% | 0.784 | S | S | * | * | trans | -88.6 | 109.3 | 163.4 | -90.6 | -16 | 0 | 0 | 0 | 109.3 | S406 | S406-N408 PolarHBondContact O-N 3.44Š| ||
| 409 | L | 47.9 | Very low | 40.1 | Very low | 146 Ų | 146 | 141 Ų | 141 | 76% | 0.764 | 79% | 0.791 | S | S | * | * | trans | -128.4 | 97.3 | 159.9 | -85.7 | 160.4 | 0 | 0 | 0 | 105.1 | ||||
| 410 | L | 45.3 | Very low | 40.6 | Very low | 159 Ų | 159 | 141.3 Ų | 141.3 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | 83 | 127.4 | 88.3 | -176 | 62.9 | 0 | 0 | 0 | 111.2 | |||||
| 411 | A | 39.4 | Very low | 41.6 | Very low | 100 Ų | 100 | 136.7 Ų | 136.7 | 83% | 0.826 | 78% | 0.777 | S | S | * | * | trans | -56.9 | 143.7 | -168.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 412 | G | 38.6 | Very low | 42.4 | Very low | 70 Ų | 70 | 137.1 Ų | 137.1 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | trans | 168.8 | 92.4 | 171 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 413 | Q | 35.9 | Very low | 42.8 | Very low | 190 Ų | 190 | 137.3 Ų | 137.3 | 89% | 0.888 | 77% | 0.774 | S | S | * | * | trans | 29.8 | 97.4 | 152.8 | -58.5 | -179.1 | 3.8 | 0 | 0 | 118.9 | S415 | Q413-S415 PolarHBondContact O-N 3.35Å; Q413-S415 VanDerWaalsContact O-N 3.13Å | ||
| 414 | T | 36.5 | Very low | 43.8 | Very low | 132 Ų | 132 | 137.3 Ų | 137.3 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | trans | -82 | 79.5 | 159 | 56.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 415 | S | 40.4 | Very low | 43.6 | Very low | 89 Ų | 89 | 136.6 Ų | 136.6 | 62% | 0.622 | 78% | 0.779 | S | S | * | * | trans | -74.5 | 130.5 | 171.4 | -171.9 | 0 | 0 | 0 | 0 | 110.9 | Q413 F417 | Q413-S415 PolarHBondContact O-N 3.35Å; Q413-S415 VanDerWaalsContact O-N 3.13Å; S415-F417 PolarHBondContact O-N 2.72Å; S415-F417 VanDerWaalsContact O-N 3.14Å | ||
| 416 | Y | 43.8 | Very low | 44.4 | Very low | 203 Ų | 203 | 139 Ų | 139 | 80% | 0.796 | 78% | 0.779 | S | S | * | * | trans | -79.3 | 92.5 | 178.2 | -76.2 | -91.1 | 0 | 0 | 0 | 110.9 | F418 | Y416-F418 PolarHBondContact O-N 2.72Å; Y416-F418 VanDerWaalsContact O-N 3.16Å | ||
| 417 | F | 39 | Very low | 44.6 | Very low | 178 Ų | 178 | 139 Ų | 139 | 78% | 0.781 | 78% | 0.775 | S | S | * | * | trans | -72.6 | 103.4 | 170.8 | -99.9 | -87.5 | 0 | 0 | 0 | 111.5 | S415 | S415-F417 PolarHBondContact O-N 2.72Å; S415-F417 VanDerWaalsContact O-N 3.14Å | ||
| 418 | F | 45.3 | Very low | 44.7 | Very low | 168 Ų | 168 | 137.5 Ų | 137.5 | 74% | 0.737 | 77% | 0.77 | S | S | * | * | trans | -75.3 | 137.6 | 158.5 | -85.6 | -96.1 | 0 | 0 | 0 | 110 | Y416 H420 | Y416-F418 PolarHBondContact O-N 2.72Å; Y416-F418 VanDerWaalsContact O-N 3.16Å; F418-H420 PolarHBondContact O-N 3.05Å | ||
| 419 | P | 53.8 | Low | 44.8 | Very low | 122 Ų | 122 | 139.6 Ų | 139.6 | 79% | 0.792 | 78% | 0.775 | S | S | * | * | trans | -69.9 | 115.1 | 168.6 | 29.4 | -32.1 | 0 | 0 | 0 | 109.1 | ||||
| 420 | H | 43.4 | Very low | 44.3 | Very low | 151 Ų | 151 | 138.1 Ų | 138.1 | 70% | 0.699 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 133.9 | -177.4 | 41.6 | -87.9 | 0 | 0 | 0 | 111 | F418 | F418-H420 PolarHBondContact O-N 3.05Š|
| 421 | V | 59.3 | Low | 44.2 | Very low | 123 Ų | 123 | 136.5 Ų | 136.5 | 75% | 0.745 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 129.1 | 170.6 | -176 | 0 | 0 | 0 | 0 | 108.1 | H423 | V421-H423 PolarHBondContact O-N 3.35Š|
| 422 | P | 52.9 | Low | 44.2 | Very low | 115 Ų | 115 | 138.1 Ų | 138.1 | 75% | 0.747 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -75 | 126.6 | -175.2 | 29.1 | -34.3 | 0 | 0 | 0 | 112 | ||
| 423 | H | 47.5 | Very low | 44.3 | Very low | 165 Ų | 165 | 140.7 Ų | 140.7 | 76% | 0.764 | 79% | 0.786 | S | S | * | * | trans | -120.6 | 137.1 | 163.3 | -88.3 | -106.4 | 0 | 0 | 0 | 109.2 | V421 | V421-H423 PolarHBondContact O-N 3.35Š| ||
| 424 | P | 58.3 | Low | 44.6 | Very low | 129 Ų | 129 | 139.3 Ų | 139.3 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | trans | -76.6 | 136 | -178.2 | 30.5 | -34.2 | 0 | 0 | 0 | 112 | ||||
| 425 | S | 37.7 | Very low | 44.6 | Very low | 108 Ų | 108 | 138.6 Ų | 138.6 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | trans | -74.3 | 143.6 | 177.7 | -43.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 426 | M | 49.9 | Very low | 44.6 | Very low | 176 Ų | 176 | 138.6 Ų | 138.6 | 87% | 0.867 | 79% | 0.787 | S | S | * | * | trans | -145.1 | 133.4 | 145.8 | -93.4 | -57.3 | 110.5 | 0 | 0 | 112 | ||||
| 427 | T | 43.1 | Very low | 44.4 | Very low | 109 Ų | 109 | 140.9 Ų | 140.9 | 67% | 0.669 | 79% | 0.794 | S | S | * | * | trans | -33.7 | 124.5 | 178.9 | 166.4 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 428 | S | 41.6 | Very low | 44.5 | Very low | 99 Ų | 99 | 136.7 Ų | 136.7 | 69% | 0.692 | 79% | 0.792 | S | S | * | * | 26.8 | 119.2 | 124.7 | -46.1 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 429 | Q | 41.9 | Very low | 44.1 | Very low | 200 Ų | 200 | 133 Ų | 133 | 94% | 0.935 | 79% | 0.793 | S | S | * | * | -166.2 | 165.3 | 109.8 | -105.1 | 155.7 | 106.3 | 0 | 0 | 112.9 | |||||
| 430 | S | 36.8 | Very low | 43.5 | Very low | 114 Ų | 114 | 132.9 Ų | 132.9 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | trans | -118.8 | 131 | -166.2 | 55.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 431 | S | 42.3 | Very low | 43.4 | Very low | 126 Ų | 126 | 130.3 Ų | 130.3 | 88% | 0.881 | 79% | 0.794 | S | S | * | * | trans | -158.9 | 152.1 | 156.3 | 54.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 432 | T | 39.2 | Very low | 42.7 | Very low | 133 Ų | 133 | 129.7 Ų | 129.7 | 82% | 0.816 | 80% | 0.795 | S | S | * | * | trans | -116 | 128.9 | -173.1 | 50.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 433 | S | 41.3 | Very low | 42.2 | Very low | 125 Ų | 125 | 130.1 Ų | 130.1 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | trans | -155.7 | 136.1 | 158 | 51.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 434 | M | 41.5 | Very low | 42.2 | Very low | 160 Ų | 160 | 127.8 Ų | 127.8 | 79% | 0.788 | 80% | 0.798 | S | S | * | * | trans | -91.5 | 140.8 | -174.2 | 54.9 | -137.9 | 63.7 | 0 | 0 | 113.6 | ||||
| 435 | S | 38.4 | Very low | 42.1 | Very low | 118 Ų | 118 | 127.4 Ų | 127.4 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | trans | 163.3 | 134.1 | 145.2 | -76.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 436 | A | 39.1 | Very low | 42.3 | Very low | 88 Ų | 88 | 131.8 Ų | 131.8 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | cis | 105 | 138.8 | 24.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 437 | R | 40.6 | Very low | 41.8 | Very low | 252 Ų | 252 | 127.5 Ų | 127.5 | 95% | 0.951 | 80% | 0.797 | S | S | * | * | trans | 74.9 | 151.4 | -178.4 | -57 | 172.2 | 170.8 | 175.7 | -4.5 | 114.9 | ||||
| 438 | A | 39.5 | Very low | 42.3 | Very low | 89 Ų | 89 | 127.8 Ų | 127.8 | 74% | 0.736 | 80% | 0.8 | S | S | * | * | cis | -160.2 | 132.9 | -17.7 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 439 | A | 38.2 | Very low | 42.8 | Very low | 91 Ų | 91 | 128 Ų | 128 | 75% | 0.752 | 80% | 0.802 | S | S | * | * | 68.4 | 137.9 | 88 | 0 | 0 | 0 | 0 | 0 | 117 | |||||
| 440 | S | 40.9 | Very low | 43.2 | Very low | 119 Ų | 119 | 124.3 Ų | 124.3 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | trans | 76.8 | 149.1 | 173.5 | -18.4 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 441 | S | 42 | Very low | 43.6 | Very low | 97 Ų | 97 | 126.5 Ų | 126.5 | 68% | 0.678 | 80% | 0.795 | S | S | * | * | cis | -175.3 | 148.5 | -11.8 | 40.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 442 | S | 43.2 | Very low | 43.8 | Very low | 111 Ų | 111 | 125.6 Ų | 125.6 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | trans | 58.7 | 155 | 153.6 | 65 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 443 | T | 44.2 | Very low | 43.9 | Very low | 124 Ų | 124 | 125 Ų | 125 | 76% | 0.761 | 79% | 0.786 | S | S | * | * | cis | -143.1 | 145.6 | 16.5 | 43.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 444 | S | 47 | Very low | 43.7 | Very low | 116 Ų | 116 | 126.7 Ų | 126.7 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | 82.6 | 151.3 | 64.4 | -94.9 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 445 | P | 54.7 | Low | 43.8 | Very low | 121 Ų | 121 | 123 Ų | 123 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | -137.7 | -174.7 | -128 | 44.8 | -28.7 | 0 | 0 | 0 | 117.4 | |||||
| 446 | Q | 43.4 | Very low | 43.9 | Very low | 199 Ų | 199 | 125.6 Ų | 125.6 | 93% | 0.93 | 77% | 0.774 | S | S | * | * | trans | -153.5 | 164.8 | 158.4 | -136.6 | 167.8 | 15.3 | 0 | 0 | 114.8 | ||||
| 447 | A | 38.7 | Very low | 44.1 | Very low | 86 Ų | 86 | 132.4 Ų | 132.4 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | trans | -148.7 | -157.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 448 | P | 53.3 | Low | 44.3 | Very low | 115 Ų | 115 | 125.3 Ų | 125.3 | 75% | 0.747 | 77% | 0.767 | S | S | * | * | cis | -138 | -171.3 | -10.7 | 43.8 | -26.3 | 0 | 0 | 0 | 114.6 | ||||
| 449 | S | 53.7 | Low | 44.5 | Very low | 104 Ų | 104 | 126.6 Ų | 126.6 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | 172.9 | 135.6 | 129.5 | -76.8 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 450 | T | 48.3 | Very low | 45 | Very low | 122 Ų | 122 | 130.2 Ų | 130.2 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | trans | 35.9 | 112.9 | 152.7 | 56.8 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 451 | L | 45.8 | Very low | 45.2 | Very low | 161 Ų | 161 | 130 Ų | 130 | 84% | 0.843 | 77% | 0.772 | S | S | * | * | 78 | 150.8 | 56 | -66.6 | 178.2 | 0 | 0 | 0 | 115.6 | |||||
| 452 | P | 47.3 | Very low | 45.7 | Very low | 107 Ų | 107 | 131.4 Ų | 131.4 | 70% | 0.695 | 78% | 0.782 | S | S | * | * | cis | -142.3 | 171.4 | -27.1 | 39.4 | -21.8 | 0 | 0 | 0 | 116.9 | ||||
| 453 | C | 40.2 | Very low | 45.8 | Very low | 119 Ų | 119 | 134.5 Ų | 134.5 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | 61.7 | 155.6 | 153.7 | -79.2 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 454 | E | 38.6 | Very low | 45.7 | Very low | 162 Ų | 162 | 134.8 Ų | 134.8 | 76% | 0.757 | 78% | 0.784 | S | S | * | * | cis | -150.5 | 160 | -7.5 | -143.9 | -158.5 | 112.3 | 0 | 0 | 113 | ||||
| 455 | S | 41.9 | Very low | 45.7 | Very low | 81 Ų | 81 | 135.6 Ų | 135.6 | 57% | 0.566 | 78% | 0.784 | S | S | * | * | trans | 54.5 | 123.2 | 144.9 | -85.5 | 0 | 0 | 0 | 0 | 126.3 | ||||
| 456 | L | 41.9 | Very low | 45.1 | Very low | 173 Ų | 173 | 132.7 Ų | 132.7 | 91% | 0.906 | 78% | 0.776 | S | S | * | * | trans | 86.5 | 174.3 | 134.5 | -63.5 | 171.5 | 0 | 0 | 0 | 120.8 | ||||
| 457 | R | 43.8 | Very low | 45.3 | Very low | 232 Ų | 232 | 131.7 Ų | 131.7 | 88% | 0.875 | 78% | 0.776 | S | S | * | * | trans | -137.7 | -167.1 | -139.3 | -138.8 | -159.6 | 167 | -160.2 | 0.4 | 112.3 | ||||
| 458 | P | 44.2 | Very low | 45.6 | Very low | 103 Ų | 103 | 133.1 Ų | 133.1 | 67% | 0.669 | 78% | 0.781 | S | S | * | * | -124.2 | 154.6 | -120.5 | 40.9 | -23.4 | 0 | 0 | 0 | 117.1 | |||||
| 459 | S | 44.1 | Very low | 45.2 | Very low | 116 Ų | 116 | 131.5 Ų | 131.5 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | trans | -157.7 | 136.5 | 161.7 | 52.5 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 460 | L | 48 | Very low | 44.9 | Very low | 166 Ų | 166 | 130.4 Ų | 130.4 | 87% | 0.869 | 79% | 0.791 | S | S | * | * | trans | 17.8 | 136.1 | 152.8 | -54.4 | 176.7 | 0 | 0 | 0 | 122 | ||||
| 461 | P | 45.9 | Very low | 44.5 | Very low | 115 Ų | 115 | 133 Ų | 133 | 75% | 0.747 | 80% | 0.799 | S | S | * | * | trans | -92.8 | 140.6 | 164.1 | 36.1 | -31.2 | 0 | 0 | 0 | 113.3 | ||||
| 462 | S | 52.6 | Low | 44.5 | Very low | 127 Ų | 127 | 130.2 Ų | 130.2 | 89% | 0.888 | 79% | 0.793 | S | S | * | * | trans | -159.5 | 143.3 | 151.6 | -157.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 463 | F | 44.1 | Very low | 44.6 | Very low | 175 Ų | 175 | 132.5 Ų | 132.5 | 77% | 0.768 | 80% | 0.799 | S | S | * | * | trans | -121.4 | 137.5 | -166.1 | -88.6 | -85.9 | 0 | 0 | 0 | 112.9 | ||||
| 464 | T | 41.8 | Very low | 44.5 | Very low | 130 Ų | 130 | 136.3 Ų | 136.3 | 80% | 0.798 | 80% | 0.798 | S | S | * | * | trans | 62.5 | 141.6 | 154.7 | 60.4 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 465 | T | 47.9 | Very low | 44.7 | Very low | 133 Ų | 133 | 137.4 Ų | 137.4 | 82% | 0.816 | 80% | 0.801 | S | S | * | * | cis | -148.9 | 155.1 | 5.1 | -69.4 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 466 | G | 41.8 | Very low | 44.9 | Very low | 61 Ų | 61 | 136.9 Ų | 136.9 | 63% | 0.629 | 80% | 0.795 | S | S | * | * | cis | 142.9 | -170.5 | 5.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 467 | L | 46.7 | Very low | 45.2 | Very low | 177 Ų | 177 | 136.5 Ų | 136.5 | 93% | 0.927 | 79% | 0.788 | S | S | * | * | trans | 67.7 | 152.4 | -171.3 | -46.4 | 174.1 | 0 | 0 | 0 | 114.5 | ||||
| 468 | S | 46.8 | Very low | 45.3 | Very low | 117 Ų | 117 | 133.2 Ų | 133.2 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | cis | -165.7 | 135.4 | -35.8 | -169.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 469 | G | 44.7 | Very low | 45 | Very low | 80 Ų | 80 | 133.3 Ų | 133.3 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | trans | 85.2 | 150.1 | 160.1 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 470 | G | 47 | Very low | 45 | Very low | 82 Ų | 82 | 136.5 Ų | 136.5 | 85% | 0.845 | 78% | 0.779 | S | S | * | * | trans | 111.5 | 64.4 | 164.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 471 | L | 40 | Very low | 44.6 | Very low | 175 Ų | 175 | 131.7 Ų | 131.7 | 92% | 0.916 | 77% | 0.77 | S | S | * | * | trans | -102.6 | 171.7 | 161 | -73.3 | 175.8 | 0 | 0 | 0 | 110.6 | ||||
| 472 | S | 46.4 | Very low | 44.5 | Very low | 104 Ų | 104 | 131.9 Ų | 131.9 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | 101.7 | 129.6 | -178.1 | -70.6 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 473 | D | 49.4 | Very low | 44.3 | Very low | 154 Ų | 154 | 130.9 Ų | 130.9 | 82% | 0.824 | 77% | 0.767 | S | S | * | * | cis | -153.3 | 166.2 | -9.3 | -109.7 | -49.4 | 0 | 0 | 0 | 112 | ||||
| 474 | Y | 38 | Very low | 44.7 | Very low | 199 Ų | 199 | 127.7 Ų | 127.7 | 78% | 0.78 | 77% | 0.766 | S | S | * | * | trans | -131.5 | 120.9 | -172 | 173.4 | -84.4 | 0 | 0 | 0 | 112.1 | ||||
| 475 | F | 41.7 | Very low | 45 | Very low | 185 Ų | 185 | 129.3 Ų | 129.3 | 81% | 0.811 | 77% | 0.77 | S | S | * | * | trans | 175.7 | 154 | 156.4 | -117.8 | -128.2 | 0 | 0 | 0 | 108.2 | ||||
| 476 | T | 46 | Very low | 45.7 | Very low | 71 Ų | 71 | 128.4 Ų | 128.4 | 44% | 0.436 | 77% | 0.767 | S | S | . | * | cis | -171.8 | -176.2 | -18.9 | -100.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 477 | H | 48.7 | Very low | 46.5 | Very low | 164 Ų | 164 | 133.6 Ų | 133.6 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | trans | 91.3 | 95.5 | 176.5 | -53.9 | -77.5 | 0 | 0 | 0 | 113.3 | ||||
| 478 | Q | 45.5 | Very low | 47.2 | Very low | 163 Ų | 163 | 132.7 Ų | 132.7 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | 85.5 | 142.3 | 50.8 | -163.5 | -144.9 | 77.2 | 0 | 0 | 112.9 | |||||
| 479 | N | 38.9 | Very low | 47.1 | Very low | 106 Ų | 106 | 138.7 Ų | 138.7 | 57% | 0.567 | 79% | 0.788 | S | S | * | * | trans | 109.3 | 92.3 | 149.4 | -138.3 | -59.3 | 0 | 0 | 0 | 117.8 | ||||
| 480 | Q | 44.1 | Very low | 47.2 | Very low | 182 Ų | 182 | 141.6 Ų | 141.6 | 85% | 0.85 | 79% | 0.786 | S | S | * | * | trans | 49 | 147.3 | 141.2 | -56.6 | -177.1 | 99.9 | 0 | 0 | 122.4 | ||||
| 481 | G | 38.7 | Very low | 47.2 | Very low | 65 Ų | 65 | 144.7 Ų | 144.7 | 67% | 0.67 | 78% | 0.783 | S | S | * | * | 139.4 | 55.1 | 129.2 | 0 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 482 | S | 44.1 | Very low | 47.6 | Very low | 120 Ų | 120 | 143.1 Ų | 143.1 | 84% | 0.839 | 78% | 0.776 | S | S | * | * | trans | 64.6 | 172.7 | 145.1 | -57.5 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 483 | S | 47.3 | Very low | 47.7 | Very low | 105 Ų | 105 | 145.4 Ų | 145.4 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | trans | 56.5 | 98.9 | 174.5 | 44.8 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 484 | S | 53.4 | Low | 47.6 | Very low | 109 Ų | 109 | 144.8 Ų | 144.8 | 76% | 0.762 | 78% | 0.776 | S | S | * | * | 91.4 | 118.5 | 64.7 | 66.4 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 485 | N | 47.7 | Very low | 48.3 | Very low | 164 Ų | 164 | 141.2 Ų | 141.2 | 88% | 0.877 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 137.4 | -178.9 | -67.6 | -53.8 | 0 | 0 | 0 | 113.2 | ||
| 486 | P | 63 | Low | 48.7 | Very low | 114 Ų | 114 | 138.1 Ų | 138.1 | 74% | 0.74 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 118.4 | 158.2 | 32 | -29.3 | 0 | 0 | 0 | 109.8 | ||
| 487 | L | 57.6 | Low | 48.9 | Very low | 170 Ų | 170 | 143.2 Ų | 143.2 | 89% | 0.89 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 126.7 | 163.1 | -174.6 | 68 | 0 | 0 | 0 | 108.1 | ||
| 488 | I | 61.3 | Low | 49 | Very low | 157 Ų | 157 | 141.5 Ų | 141.5 | 81% | 0.805 | 80% | 0.802 | S | S | * | * | trans | -118.4 | 91.5 | 176.7 | -57.3 | 176.4 | 0 | 0 | 0 | 108.6 | ||||
| 489 | H | 45.9 | Very low | 49.3 | Very low | 243 Ų | 243 | 139.5 Ų | 139.5 | 100% | 1.125 | 81% | 0.806 | S | S | * | * | trans | -166.1 | 0 | 132.9 | -154.9 | -49.3 | 0 | 0 | 0 | 109.5 |
Retrieved 489 of 489 residues in 1465.5 ms
(Link to these results)